/usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1813956980902116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.18321053511361385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17002397835932218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.18931087017997383 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.18920027482521307 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345895341717027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345948164905797 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345934948878614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173459615060238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345948300591543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734594130837574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734595962912054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345974047094662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345936079486896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734595865908564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345906116142934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345978254198569 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345955981904984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734594263020045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345897955820533 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345915500787987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345919953346128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345959074813316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345928497192603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345957746619722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345944928804938 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345978330379117 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345954653508455 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734593760536099 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734597179901419 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345956134020896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345920957534552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345937452992777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173459429607444 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345953389819652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734592128635844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345923695891194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345968332292977 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345951823242664 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345923823279405 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345942426601335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734597674324484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345938645116804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345973211320964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345980045270615 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734596462896241 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345960742319863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345976609367575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734595432618779 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345933124015148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345938370333777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345991388429968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345986553872342 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734592470648272 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734595730402551 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345930629954803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734595022998665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345934007846148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734589320816111 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734591813450109 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734590202959511 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345952475282825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734594555790787 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345909100698026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345975028822552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345924207061456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345916304196116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734595995292617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345927833683053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345938269824504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345972058900236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734599859232944 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345987016266365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345962075033955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345963910647058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345943024143604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734597210199847 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346013129246096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345974171608877 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345989627990022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346004814912844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346012477351594 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345968126848613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734598623718949 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734599673788002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345997234239446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346069342304793 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345978683854857 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346016225456473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346026975080434 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346019581004796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346007984499284 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346032452992494 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346033641290512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346003641059765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346018736305074 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346029721510084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346000209587065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17345992957379372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346075822568915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734603553835269 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346070986475293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346014260692386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346077583016617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734601191904437 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346054549386436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734606095541462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734606886270486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346057891493255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346050573800742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346065408444322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346097831946763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734610848093995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346047298897935 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346060771607447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346036831200226 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346108243179872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734603170400908 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346051221757386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346050012653677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346076215548406 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173460720256088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734610692987655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346139827372986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734608523497324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734606699636245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346101653174792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346105220001082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346093106696034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346118256756027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346113888403047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346143082749907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346104109444116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734615876311289 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734616794256068 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346189258439634 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346182490474896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346177850502154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734620593566399 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346200662400502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346223479738568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346190202153272 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346238199432112 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346242295928307 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346147834867112 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346185001250383 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734623607048356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346223892766316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346158569667858 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346183355563138 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346149192540627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346208927477952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346202049160003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346172992153033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346149136169517 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346190819696655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734618841290214 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346172795093778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346222082672544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734617187699449 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346195558413297 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346159811495848 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346173782575205 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346175110715648 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346175427268318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346212181899295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346203910691735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346220367576348 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734621398084028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346252274093227 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346252037346083 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346201854759577 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346229100407967 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346185780047133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734617407152142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346195201243197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346202487536222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346210590487124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346202734459304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346249176016199 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346233639789826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346236678760218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346266834943547 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734624552315637 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346301835709135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346231184720953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346261062022666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734625409974593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346236002865767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346247141728816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346234601389923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346270679968076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346229395422977 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346202618827872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346238926218474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346244962385945 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346241991896824 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734624125434268 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734621222462482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346204586319147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734619911109691 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346220137708793 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346229409805253 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346261638361407 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346234748334796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346231593930903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346221397195122 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346287577340688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346251845838043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346246915169924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346256867725834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346295172302126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346253512959928 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734629259958731 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346245875660316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346288973582757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346280361375443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346290407677176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346286682647852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173462634099394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734628662125564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346264817267004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346254090396065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346265191620153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346282690340406 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346281420766024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346300553726282 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346328700168528 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346333407725176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346306985430562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734634637722784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346299941065565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346321444101326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734631796806437 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734637109318615 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346357931347398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346340509178435 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346348136852438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346356982914152 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734639938742268 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346380784544163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346420460860507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346373433969411 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346301735749234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734637928846855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346354723333277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346358349778268 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346384703836717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734637984778789 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346399853183878 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346371181163497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346391682386328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346411758852684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346367373488053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346376829698665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346364446914084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734638583744748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346404934441362 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346409757397732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346427302084044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346402824319548 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734646754692808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346380788935536 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346413313366876 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346465910357886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734646601607904 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734638414917271 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346451234392404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734642769802401 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346438462838237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346421458334702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346424003535593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346440319730783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346430849876468 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173464461745877 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346473099760432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734649091243317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346443485279084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346463577573606 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734647518371686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346460715308823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346487886258888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346451653088318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346492632375024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346486446694054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346478959480677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346461082175718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734648151454633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734649218919054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346434724443707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346493467220453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734645320832766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346515515215355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346520603940013 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346438132676256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346498615242165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346493495317208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346504183815956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346474191793682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346475655880142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346479730575962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346475162738978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346564248925933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734654684007099 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346522422796914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734651710152203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346544833726957 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346528445362838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346514675991925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734653867705917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734654062574367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346521253963412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346544753351284 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346550376593978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346509822873502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346503804015911 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346541578006744 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346572285489603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173465515091146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734656615512175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346627047601146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346650149334353 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346627790395067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734654113680217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346609055473416 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346578665750773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346601521142024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346578681093677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346630017466075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734660283375678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346596849821772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346580304830758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734659372433484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346608176547407 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346597472996686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346616229886933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346612387408603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346674218451485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346628664038086 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346638618495014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734659924672988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346635241848232 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173465939216212 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734665034225022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173466381721313 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346637227218314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734660958996242 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346649791746688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346647601598536 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346671122089297 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346667989313455 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346667674881489 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734671400841395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346705551071995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734670287129279 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346676772819355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346676995630142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734667417879263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346729731181784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346702710557832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346748480528124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346731227443987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346738216773191 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346731258449022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734673236609526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346718863393085 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734677033290709 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734677987197267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346693881734507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346745637182975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346734551712867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734673880333068 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734675833134688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734672363377691 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734677813000351 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346785939408393 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346739958207846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346751648052788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346772198768606 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346780388836103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346820419721778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346749396079575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734680264366523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346780215490662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734675673133873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346747649112856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346791707185447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346829288072813 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346849792392624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734678605943881 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346842918342456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346782357943183 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346820738865168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734682596370641 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346796316343144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346793781781092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346789871059573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734677382764321 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734675182727018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346805177941746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346832472963594 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346774162206133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734681856593771 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734683593747075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734680044050674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734678422842564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346790915794696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346795696814293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734679243258874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734684928846855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734683108851113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346805770945717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346808942793082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346806292723044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173467579393807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734681363199676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346805199078152 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346805694353726 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734682772383605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346814657244697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346838104926995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346802670776748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173468048981679 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346809744038452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346815376230443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734683801046589 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734683144969546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346866924743784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734684331984541 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346827673762275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346853020214184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734682874646019 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346871595267874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346858383267802 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346854839099934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346837121731934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173468821376696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346863127792772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734687791348071 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346863890682013 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346873856159964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346896557205244 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346835959237097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346917911682055 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346883136987143 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346881678746232 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346939194286218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734688369133163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346889943674065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734691885982573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346931042032043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734689333341926 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734694843303381 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346956583220216 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346938049247018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734689940811023 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346906582801322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346918308898582 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734694584683086 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734687655647951 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346908849451728 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346925575087585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346896875139717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734688741648389 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346921150686961 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346947318863204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346912072410464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346947518178718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734691376678966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346898866058255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346944984473678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346915369185373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346905027392795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346968466684745 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346899813461347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346955575985046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346979538104487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346965579639814 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734693942266114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346937796961473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734695441200039 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346931418902153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346954014740776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346965823112762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346960222734475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346989556952447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346983678946729 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346944916445559 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734698398161731 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734696032353135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346956182263296 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734693038181271 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734694465943627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734698418785283 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346964906010612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346988574912442 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346975911223017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346968762601644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347019371272798 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346965996760746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346993004480787 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346992133487465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347048567442827 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734700025503553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346980526050362 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347001350150487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347023298916792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346978665480542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734699286356563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346977915191125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346990267548695 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346974442507085 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347021459408038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346984469100013 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347026363830806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17346993203530647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734699483183363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347002425651328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734698960382894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734697845139466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734697395856568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347021682406472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734700228145896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347011443902013 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347006798311723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347040293374474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347059934900294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347018663338254 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734700919631392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347046833421528 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347061317142848 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347058540054605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734705464610656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347044213759027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734703763950359 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734701665835162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347079578304322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347045541356007 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734706143383144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347061503141264 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347115105748237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347098766910335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347029669277803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734707710856188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347079884536137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347062936525293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347048159045927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347094818905398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734711761640916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347054086425914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734709766339049 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347088461664348 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347117823070154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347108590386257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347097280961238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347099804039764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734713137694584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347167429082036 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347190025402934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734715163351999 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734720682220842 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347160971571954 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347171297096317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734714218180387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347181096252562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347177308698689 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347186175685872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347244140417903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347170540766513 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347174378543212 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734714594342831 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347163101277616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347188704438943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734715878929805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734720065646439 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347186019118815 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347190609498783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734720774508425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734718110503446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347219345607284 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347152787536274 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734723906709954 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347185692379072 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734723895461914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347229461332447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734725169928341 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347218979975024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347249644888968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347224755109364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734721356593121 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347210060098375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347202846785517 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347182257511887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347252246308642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173472003761754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347212937852977 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347269975169197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173472240607563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347241211080605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347249618665458 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347260726016211 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347315848152103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347297357785518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347261769033523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734725036290174 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734727003453207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347267127706037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347270818060784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347291825777447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347305960006917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347287105374268 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734726954357038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347299913114095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347322220264727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347326051909584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347333558840716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347324614670023 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347271296084013 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734735323284361 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734729312683804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347341311146403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347334124392375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347308902873285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347329654217808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734729645669662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347317619312846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347279637302757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347325202134342 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347294188572046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347292998688096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347286141272433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347310874811517 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347329907265305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347332167033666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347291053210007 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347365893070707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734732981308229 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347309524803434 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734734660095985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347327921808647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347360294550188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347319023008478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347324147603618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347349110859042 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347360349951288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347393589789814 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347361456261357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347372476378892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347383216489307 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347355906331027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347344345192614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734732367800046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347382730163144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734733807907609 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347325963969137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347340435558273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347329675304643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347379624308487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347313866347938 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347365133519826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347329162482147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347332270412852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347318375489612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347330061472044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347322158713635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347347607122543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734736348888664 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347327103379126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734733100805471 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347326558011852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347358213822994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347343615939884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347354496935033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734731559502777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347332172863686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347323451818866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347348123533293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347351104109182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347354442140692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347329555867969 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347358160870824 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347384143714 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734736325320581 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734740223006691 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734735479536759 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347371953842267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347383646776005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734735231989909 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347382722655774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734738475065919 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734735843996043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347390340872126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347394359377039 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347411168871305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347391519452357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347413755051458 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347424251446583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347395321571144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347404549079778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173474265004308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347377586155188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347390668113782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347385355831352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347379517202346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734734879804776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347348026708223 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347341259503568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347327275302307 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347376091732125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347422717155897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347436518320303 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347414816228662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347449566214188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347453691781617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347419654292667 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347439354258826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347448526737586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734746245475204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347467514539516 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347476170544798 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347461522410818 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347467149851187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734750889667234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347401214227123 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347469403689694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347463705202704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347487358040475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347502962505515 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347491657520822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347492217487076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347501287544384 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347487405588782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347494561524998 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347499490250862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347503282511023 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347495478881067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734747554454118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347543172381577 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347500466452356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347494982049275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734750230631622 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347510729414706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347551901657787 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347513686847268 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347541862757052 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734759086662429 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347563014927253 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347566946550474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347578220377402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347587406939657 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734765123213878 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347589364092753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347593543222917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347627929260878 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734762511300497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347609145568846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347621406719757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347627620645195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734766311308577 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347631427096488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347630827513266 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347648009606256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347657886875084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734768033044886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734767261188217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347678157893065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347604982330045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347665623171832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347660026564704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734766999705738 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347705789045284 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347719887950455 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347660873120954 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347694096594224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734768320446338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347728265617457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734771299441251 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347732372955924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347732027041213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347723538825163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734772452218693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347719679801565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734774561236803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734776413544147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734772599440562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347714982669182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347794620916707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347748095636678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347728624568287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347777051842392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734774570962002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347758494051127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734776083051151 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734778497254906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734774664909222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734777427242601 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347783717178542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347782315221758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347797330121476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734779417523385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347767689170773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734777265930153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347772948257484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347822553220815 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734780209589294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347791828266776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347844268835616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347796277342953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347846211939152 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347818020943934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734783863265911 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734783575630442 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347840301552414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347809013387086 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347854433356988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347871465932282 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734781188660292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347861036462392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734788922087196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347869454332424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347881010531319 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347853820914355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347840683375254 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347832465711863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347862187500543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347862981534287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347868869329378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347908077345903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347878753357532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734787711330933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734788641338915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347859198026358 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347894031895025 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734790791441026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347901077637948 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734795279227621 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734790925100908 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347910439493525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734794119283465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734785461146595 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347883820228885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347898254922023 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734791219786665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347958482721823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347927529911603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347901044653433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347940082400617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347932279451378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734791990902204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347941653053792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734795226630462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734791312757985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347930393003752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347967238807485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347865343573154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347949122896378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347860733307804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734795050026106 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347976512454003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347946802229672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347961148268132 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347945911965953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734796399217928 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347968779040127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734794187942706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347969109832603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347952649530737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347946766345826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347994324622315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348022745169342 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348000013066298 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348005484031165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734798453029056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347985258852006 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347984195927002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348007815574354 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347971963929934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734798664462584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348025729138583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734800427870134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348024853147195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348027714269673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347971663966594 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348025100290615 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17347969107626926 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348044374953367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734799612720899 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348014973648732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348029237340737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734809387488413 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734810495809884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348022065398033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348066995362438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734805682614907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348097616877967 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734807264507655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734809313962674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734804709146474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734808212428509 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734809020663003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734804518134164 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348076382182684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348061046787502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348058717681755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734810894577865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348137715280587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348108419903063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348088904533698 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348137929684593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348084469689884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348109476197907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734813388923729 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348139301725296 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348102207562932 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734813651103463 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348115298243255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734815125563737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734816172980178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734811058540992 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348101397054558 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348165708478827 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348146553864716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348116484686457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348092755846212 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348209609805892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734820117225789 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348166660628014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348167190421074 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734815225444371 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348207239578367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348174852092318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348150480355862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348182235157586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348169788099035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348181073837207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734817619943963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348134563567758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734817250889648 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734816315896467 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348188067914821 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348138533634203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734815363144059 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734817506300129 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348170876735586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348150526406805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348207605687194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734816686215928 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348198465154135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734815618714943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348167800682118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348174623691856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348207232840593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348193277263615 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348202482251734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348222809856426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348191539520688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348208327830014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348204461105218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348245470862128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348221675715314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348210251131432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348197625824335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348243528721083 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348274134181096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348238512361902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348195757797039 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348226847300768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348228612298092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734824505923171 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348247410699907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348247358636845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348243335351288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734828342878828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348207728266352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734825640372494 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348247350673257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348246207238127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734824921577636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348250462339299 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348197043360564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348263784115656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348209793945274 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734825812458545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734826866833766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734823381779959 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348230555178362 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734826386844476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348244249763506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348230285515004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348242218972496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734826487688521 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348232889159218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348249928848233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348248597423432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348241058692865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348249318695097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348256218502842 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348229839481166 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348243804709884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348238312228903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348228833483065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348283466619865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348262069639417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348238204596203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734821793848803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173481826318247 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348239724995565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348194842644749 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734818650145971 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348242271937137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348258358811217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348212380580796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348260135340793 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734825826309993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734823746210729 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348245355202294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348234082802536 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348286217033593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734824575403318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348279660212104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348248146869633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348267832069134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348211634224506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348235658485364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348267252341176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348257121486227 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348269561873708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734825629270232 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734823176617425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348243725552676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348255804242224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734824669745514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348255740592364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348291350405107 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348237786295959 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734826884765737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348254167979407 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348270450000966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348294394029587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348290512716408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348290975701888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348281081970923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348295418473564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348252743418097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348301213610437 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734829248401344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348263424076713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348304278509366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348302542487093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348279302093947 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348329544327265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734830055810125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348301254996656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734830564021984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348268545190584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348304832754502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348310200226955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348296229247806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734827017747725 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348302117579373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734831414959906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348346074290522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734836588145771 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734829027085724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348308065834075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173483206690002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348304211472063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348301904657243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734834471190447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734831282054906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348326266307973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348274834020547 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348294579234647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348281322539172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348307549181866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348293082403102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348292626765843 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348321115576795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734826296167679 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348296571787616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734831234496314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348326225311572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348279817882895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348328627550988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734831338922716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348348900532698 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348334912162783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348303842196405 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348347426155844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734831653695724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734835573113136 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734833200635374 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348270626784115 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173483270467178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734828420108119 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734832491145034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348325436386736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734835661918261 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734833434472391 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348352627044966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734834975438527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348329235746715 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348320926523658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348323021014617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348341383741384 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734835892567035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348374346102582 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348350175864555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348395326924965 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348390903029337 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348377736985654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348380220662946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734837844467191 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734840116388367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348379061684263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348383850726795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348349248162231 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348389306836243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734842878756619 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348435358760145 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734840753904953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348437583182635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734839470056753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348363370988162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734837900079105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348397247253305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348411308086653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734842227438926 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348425848737944 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734842341642454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348440515249386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348437409933973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348446402458131 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734844943168574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348431429974953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348476016898964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173484444763399 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348414865414047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348409207600635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348404272576126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734839683135224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734846162342039 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348476204951546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348418715004882 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734848588680818 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734845932794607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348451631875916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734851627528249 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348516358955468 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734847023017247 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348473064025596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734849351322895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348505832788133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734848599348542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348549205667077 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348514748882288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348538350528406 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734853384489327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348512896666984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348525694028688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348542898305575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348593850092128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348574807146946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734852241463776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348535819407376 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348547006780735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348584315289123 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734856011160655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734854230147339 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348583348246946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348554136187774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734858013457773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348588572618967 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348567904995363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348582941234128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348625368126183 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348610521677107 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348624709141958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734857517800684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734861819880578 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348624595601297 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734863796721883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734860261623707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348651981256424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348643925859905 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348676870091329 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348680705249822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348648850098414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734864698686168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348654510920042 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734868119576997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348680216088438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734868723915514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348680424698548 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348645591876555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734865087999488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734861570513027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348667023044606 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348680207369613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348637055460883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348673503358103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348626435932668 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348682328652276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348646025868805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734867951868484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734866384807576 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734860066304175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734869429313068 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173486845719293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734870695465332 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348708129000545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348683386925132 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348732638211897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734872050509195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348711789998422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734875935790649 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348730227141518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348723217679946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173487332721798 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348730425579093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348701704114333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734870357751956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348712756858392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348729045056827 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348743627992474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348773553254687 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348748830377067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734877633164299 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734875428601798 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734878242854944 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348816223302668 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348747825797461 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734876868198104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348755837088028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734880042600098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348790167966574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734877640492503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734882933213238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348804210083899 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348838111848053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348786376688907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348816660052147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348817077520598 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348818702280877 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348844099279298 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348827052843918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348887335078364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348897583748718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173489266803441 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348898370157875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348830156000208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348880281311774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348905693599867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348909309854751 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734887671308369 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348902066300914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348915766493672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348947282526134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348958781978036 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348963503048795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348946425890896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348950605624794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348954683563048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348920977876353 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348931548959307 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348990623249036 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734895954364704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348975674512412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348961267345595 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348932205589743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348945197363003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348939473614897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734898054167144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348986655789284 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349004176826532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348979389739785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348968742553686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348986870991612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349011592404354 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348979092768466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348953789258234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349026927144226 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349011560332234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349006398486866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348977689895165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349014272901245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348991619860335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734898342912502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348996646167367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348954633506988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734898882545997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734897753227113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348984857870828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348977165182403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349044360145033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349011737772654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348954991317853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173490242017101 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349055791487877 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348995589282748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349034707973157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349003980924493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349041812923746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349032766938502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349000251762706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734904840836829 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734895748897549 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349067468393056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349093887273542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734902331066099 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349019414573547 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349033845278958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349033495192187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349043656467017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349029291843746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349036670325768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349055773244104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349006220844485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17348999953558641 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349092088557805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349053313534601 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349101747516496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349049580340767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734905780275403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349061609746202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349052978190238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349047422751185 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349081722042944 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734906699326508 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349070934020025 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734906232065758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349071458671916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349052847596655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349049790676058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734902913309342 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349051035851346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734900037802688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349058492541955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349075040301914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349017961841107 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349082242602032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349083711095767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734908159452412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734911766995192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734910355126616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349108493754192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173491446542576 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734913929839203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349128663462185 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734913070276748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734913203290383 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349157960801817 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734912257996437 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734919241366937 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349157163553378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734914518194159 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734917252635105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734914245824408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349178428289946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349180176976797 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734916716828411 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349213322715748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349201714246693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734916451555101 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349190863982972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734918926032259 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349212302103267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349182949908176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349154549021054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349230733629364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349220380485506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173491660760179 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734919166887766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349195785080507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349190153308863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349204993023906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349256623891612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349243861690702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349215498459916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349243191190342 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349221463803988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349235569079205 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349242908336932 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349222311841 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173492365815484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349241808932753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349156203365776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349196856032895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349199365675314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349231606076113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349192370500366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349220799022216 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349278673605797 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734922968882993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173492443397631 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349261560955884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349229908163424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349264232116568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734927748934457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349242161155592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349273457159836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349273463788678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734927225743966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349228844856873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734925744348322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734925872565655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349272007131994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349239704050717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349198095480448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349261194964458 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349253967074005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349231939394422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349246753115036 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349227848034038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349244756559354 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349257540714474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349271464880434 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349255170114883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349259177559817 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349304231119567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349295046742425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349323869534003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349274448429086 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349305782252378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349298175018443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349264545170776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349345479325798 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734936278757878 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349322322535163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349273554494135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734928388579652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349303573992378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734929395830854 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349286500969058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734928048717106 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349275996830402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349273360887404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349323992370708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349360595810373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349343301560838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734933669218241 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349373276792251 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734936799031752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349368045740798 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349338254787589 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349365945739906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349386608111178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349350461232776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349422197754114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349440472983862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349362643939373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349423286813423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734944723514112 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734945146339147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349452863394588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349457039497299 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349429628812973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349473508694477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734942695440739 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349456758059364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349438320757501 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349441385202796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734945555718252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349438071811998 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173494910737256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349494170844418 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734943899749994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349489851550337 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349495129743808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349463668045595 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173494622169765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734948780155875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349500307617507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349466272880998 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349479983008578 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349478074029098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349487543553382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173495000436339 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349499886030828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349493655300927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349533275493195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349506271035522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734950471998308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734947531449693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734945601140288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349511312796778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734950836179119 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349502166507175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734948919539518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349519300491384 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349517843814094 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734954688909548 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349551779544986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734952768428424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349572678537015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734951406971745 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173495378785248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734957490387436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349538473683973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349557016708275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734955413941902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349550126248214 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349550138503617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349565824138477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734959852838559 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349510722923572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173495753316356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349578956750844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349578654343362 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349579376006183 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734955005039283 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173496108542858 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349597828780478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173495397125106 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349507577311188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349537103021478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349563090085177 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734960414406766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349609360966647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734956368331747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349570521837476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349582177836287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734959589779375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349574982373203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349632724436267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349611120234024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349549157070834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349581423860594 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734959368787171 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349617921232577 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734959063706978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349616045349686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349653923451872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349641161421375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734962038159889 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349658993273406 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349669456303418 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349663814646465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734966675687901 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734963604944719 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349661038694805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349683131596186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734969281334141 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349676694791244 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734969137424235 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349688736636182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349680594519903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349691716831137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349700796847237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349688720919998 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349680954951752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349748116099148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734976173135852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349685242715776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349715093268012 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349736495547252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734979145613756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734970910508701 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349683444454606 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173497324849288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349729753296603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734970555274908 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349718014659446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349712385651125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349733092844127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349741251853787 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734979500817871 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173497818910982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734976619208532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349738269618686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349787824128443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349775104465537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349752217324532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349753097336182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349783592527354 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349801730548337 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349795843530816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349796978272697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349800724891934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734981348746019 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734975456196713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349749611448048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734977410505545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349762717296333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349740107830655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349762985221254 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349822398674067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734975276822167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734977064017314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349777042922981 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349745874429717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734980668060748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349800073067992 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349811105175422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734976675262475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349822694653286 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349830656703877 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349858911839955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349819444479403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349842126063203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349822154318462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349779916003316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349831269739732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349852396895374 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349831701277052 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349855583596988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349860827389482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349839594296976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349903206812492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349853906444268 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349863322724055 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349872600910377 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734984369801213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734981760390806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349874817059563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349869255421635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734983640874705 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734988247213379 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349848471290058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349862799516524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349856834534097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734991179679688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349951059783442 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349876047094742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349880133909387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349907204359638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349915209228184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349896726559982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349882162252522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734995470080416 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349916393940149 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734990974283751 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349945255136887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349950051465785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734992984191334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349972852651116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349918527404323 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349917503470547 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349915909081653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734992091305165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734994144903621 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349942235696356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349945635235645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734993267112198 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349916733303739 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349970375044507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349976322305496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349953375304156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734994857473909 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349969896213696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349969246577432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349992667172068 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349999741118982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173500098024428 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349996004351914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350014783014286 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1734998530757206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349979312128155 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350021331548834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350055674261308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350026430752033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350021532341653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350038463126566 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350004394053717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349998738754394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350047820916092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350038285044903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735003084051903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350023308264884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350039193150993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350050764822633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17349987847365678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350057130684454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350052436161845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350009417434725 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350033405780851 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350036553152615 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735003605307892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735010059127548 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350088978860215 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735003701601985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350053572505372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350054977915771 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350090664839737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735009129814634 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350094850261752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350043704466983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350064546087166 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350057108521763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350063704732474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735011029356033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350139778690207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350133342027288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350065757849636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350104558066762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350115743963518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350112356623693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350131701394253 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735012934930319 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350086721478203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735012048263022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350117382898797 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350095734904078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350179690974862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350214899068078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350123441302087 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350143061691092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735017545441922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350179274222732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350207148799304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350175241938753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350192616502136 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350209889154308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735018697044059 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350245527821437 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350208868700123 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350200854016629 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735026167267717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350243086565187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350237016068024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350251583834347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350246613181672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735023986038074 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735024146439798 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350189029847157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350231371754893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350197984410987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735022170253134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350207017521088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735018273405808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350197847370985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350268266586952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350242946953473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350220544724626 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350231593742424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350215867046537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350215857871115 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350186768281958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735023591883822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735029568843715 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735023234243793 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350280607479032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735024612831123 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735025301735678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350261272851 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350226520278406 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735025041258514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350205365922083 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350257365601124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350192157482686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350255158453465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350225632276137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350230965492172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350255081052043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350214394263358 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350221291018295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350229972812692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350272152014687 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735025577686971 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350293381009044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735027636946284 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350251630840657 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350257190605986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350274968797175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350308702713535 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350252535610178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350292778984472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350281409147236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735025288222724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350272149028353 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350259737759913 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735029327172243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735030459649695 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350301023484763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350347283307338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350266778141685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350324888427457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350273549955444 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350334104782675 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350321429179258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735035398230425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350396383644529 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735032727685758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350303850558768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350324718522334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735026986357359 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350314671521067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350277753000273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350334481139096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350335049292934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350420725208543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350335102440198 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350380280771352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350340098433634 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350387702178915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735040245034671 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350400013386838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350373373700065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350374096754156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735038507956523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735034587988462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350416743988195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350393670236236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350409642433362 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350387004608706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735040615941104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350363057903603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735040052025562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350435817826182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350361750061954 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735045444268382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350406995050208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350398950054785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350376912917928 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350413876953744 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735044866212003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350444019264885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735042631959405 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350452136829175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350469648351086 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350485969728643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735044338215199 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350481617274424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735048369242024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350459904566323 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350446358144317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350476570669696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350478487637466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735049351339917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350452293298063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735047686604308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350473746886003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350454786532643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350526902106245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350474014827863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735053078589223 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350501060699572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735048744149025 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350507336270304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735045864695075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735054066558027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735047555212159 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350504864372113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350533517506717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735048482482631 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735049306275663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735053374494543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350551433965314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350546177570203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735049218611645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350537795757745 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350560306827573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350532822369907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173505706776166 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735051118189398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350518202637988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735048047112771 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350561149612692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350523705901835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735053842345499 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350550326486658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735058083992332 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735059509918158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350569912022035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350592550139274 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350589936567398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350606118832174 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350576078514607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350624652667135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735059847388659 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350597512737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350602570848878 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350651354059043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735061680421147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350641201980924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350628906099413 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350594077204576 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735064487411118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735061651152614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350642341395692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350612308251143 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735068968776673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350684389410315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350663588600065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350655222829933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350709278348686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350646847946918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350654132115859 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350661433267536 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350639845687463 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350650375599294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350699253682422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350732118847192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350711515536785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735066173617101 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350719834596318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350745131112305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350681745811422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735070914114168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350699732285277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350739458113604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350747997866223 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350715086961385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350734772292736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350740169445295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735073012661597 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350745507920404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350756496926542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350729926405936 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350747907388078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350746130578776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350789654881033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350751101116435 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350761179390511 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735073120708879 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350751946133988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350728519961872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350732285799278 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350771775477133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350766511455623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350749455711834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350774117745899 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350752750475476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350795388093854 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350793027284409 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173507853676655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350813883951613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350769196034127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735072934633332 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350786356500095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350802477334135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350811434877608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350804785977453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350791256492343 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350801801610452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735079440643685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350796798273083 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350842453759246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735082643635516 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350828812835856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735084367001539 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350798030399542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350854068956661 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350843779503694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350838020263776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350859262613907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735086811662459 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350837096841784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735085457424076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350884285010318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735085896648507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350917199158317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735085971008378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350888718619065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350900680020334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350873630100952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350882028116163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350917853873077 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350869538241315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350919721493807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350864390321596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350874223251456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350897024005532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350951793240116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350852269169104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350882154003985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350891333502527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735091137539836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350850623107741 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350849138057925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350904990524607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350881729540304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350905951680332 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735087443752471 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350905504426326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735092594424565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350972124293204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735091891135241 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350989164405153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350905331762645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350986355428966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350968998873473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350948360035845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350981897886614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350933090633627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350955315782873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735101928405894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735095768371872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735096663907026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351011311211464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350972779609808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351021496517227 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350977255417496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350946590288002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735097603078875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735102758538483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351024546333943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735101063185822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735100626772425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350996658395693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351013478866772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350997439795676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351033857065548 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350987089196038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735100612412635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351027596346222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735099083173953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351034693433084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350969165833202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351023846582986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350991988458486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351039011749958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351017768658422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351040932903358 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735108321907285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735101164628184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351085233866514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351036781829512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735103532913452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351066914031252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351035051965097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351032246140613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351024862333575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351011295528898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351018017481706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351020794727412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351042279066725 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351033563120222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173510021875746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735100415342686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351012828889226 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350999955648713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735104907683739 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351066004506366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351048578709435 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351006855023532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350997290468692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351011113668258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17350995158589436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351009397538175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351001258111184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351002028770832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351030298730624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351002782569078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735099536332794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351058774240308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735102131812291 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735106326633045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351091677916186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351076482182265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735107007768866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351049795090048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351052380789905 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735104570892058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351066560599449 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351092557097358 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351087995971282 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351076154079803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351126537756048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351104774021722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351089361656982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351091495759158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351126955184948 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351106944783878 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735108303764323 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735108792209745 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351086432273824 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735111947433283 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351073748968723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351139584416234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351123323767784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351143175518338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351126353263988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351101364309066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351159406336578 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735114135645742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351153443903317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173511523279744 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735116439255964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351163331175826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735115220528241 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351175251213888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351172294725123 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351179994157015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351202574115349 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351170916339445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351148636802322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735116717148792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351190111124995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351123798390997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351179569928038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351195131730485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735122812476467 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351154731771412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351153855982623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351220301609246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173512317633496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351219170423596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351174543204403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351193160029815 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351190382971834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735120487951387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351167235155282 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351207877317032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351219372383758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351218572234953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351212122466314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351264325907115 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735125572100135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735125844499699 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351252806412176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351288119230887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351245243208932 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351226995253208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351302012663902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735131027978563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351258448111417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735129246833013 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351285077951373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351278684242993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351316345400625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351352697123368 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351344386237805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351350107736288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735135688589555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351347138508677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735131638642756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351319959856162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735132470460623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735135033452341 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735130229889496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735136990664556 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735131519427408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351315323558925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351313325824647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351331489890864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735131148925688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735131547193097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735132274702404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351329325229514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351287190465048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351301420568638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735132837624279 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351357198556006 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735138236408934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351400204813713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735139849445462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735142925944973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351426541813605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351381742876296 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735141790977636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351384783390034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735142015183616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351364650847487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173514456137354 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351435056771009 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351356187264372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351371351746447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351452144314197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351404460094222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735140116985705 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351429211380404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351456366058357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351448136730047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351468051261254 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351464273922654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173514634407434 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735148393186393 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351441808883447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735147721439019 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351486497166826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351491160097735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735145054736207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351493017050706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351483061643275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351432568410902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735141358727248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351458147973442 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351453601210012 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351469554816437 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735148608003296 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351484025119068 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351483142144375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351504730222123 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351542753919785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351515573316123 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351479368076794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173515240970785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735155014774518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735154112758006 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351526521753344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351534709760233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351521443846912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351546499190745 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735159657707426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735151389127235 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351540775497695 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735152945846029 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351526154968305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351515603267756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351550737957458 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351592097808946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351571058610307 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735158309175588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735153772823068 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351576515711004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351587266061277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351562115579966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735155988025199 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735157108130975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735155374154324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351557308814897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351564700420238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351565944627556 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351567130303266 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735159353621784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351604888359592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735159176003807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173516179308484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351569364717748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351581206378666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351609588232578 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735154862685717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735161754017831 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735163037154931 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351584997579042 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735161476032779 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351627270526812 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351617436578018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735168030587568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351609455182268 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351633769853628 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735161707522552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351631193322684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173516534940137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351608442437932 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351614521339936 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351592206616678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351612498860813 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351649512897305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351674737242917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351620602290938 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351655654448075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735164285595001 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351643817898438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735167508547584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351684390140312 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351633303859257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351679231635447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351626631983405 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351662262495368 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351697930805296 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351680630396923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351653206373582 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351681514160028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351685296958994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351674331997588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351656004838628 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351660358376003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351627799842903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351669896503596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351629339075514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351660126215102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173516664954778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351627845510692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351614305534793 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351615155911426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735165333920095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351653998600744 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351659257817778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173516948943619 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351661957918985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351706682784546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735169913825752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351696245758727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351677213628885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735173204958899 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351734606491864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351735253791364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351723021378762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351739252358372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735177064829701 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735177364960601 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351778853909552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735178039831004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351797940956107 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351791979298034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351796164883304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735179327480316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735176046806486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351767784872119 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351773267450896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735180730101906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735176373980802 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351814149309214 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351837388015032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351750826260587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351792385096268 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351805988221766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735181001738133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735182268406259 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735181325240523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351861801162993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735182323639914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351845258457574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351847045911034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351820944471863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351822034924644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735184910465783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351865066151637 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351823096220015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351851213798516 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351864033575143 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351858875316242 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351880852680393 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351855233994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351860425566148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351850640808605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351874023942807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351879104849197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351881762596835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735186698713601 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351867415332764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351861329471066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351869418072807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351890542001008 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351880779900442 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351907159920757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351919722107792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351880401047778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351857898469455 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735188386786873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351900307230567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351875869128508 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351875537622852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351905869556297 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351890255904923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351922226337352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351919250678785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735194884516817 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351961268339217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735190318690746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351908074828531 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735193671250272 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351903830630136 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351909823148395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351919493100207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735194400323454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351938750671567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735196151032409 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351900318774724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735190977582135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351893667916832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735192192007252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351964899527902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735194850531958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351964886088028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351946839015725 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351958430194048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351943210826298 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351955063335808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351984901973316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351977882960762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735193095138147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351994518788816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352013020088847 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735198066387351 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351978983378238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735199929669474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352015114992236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351987981958744 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351981304916994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735200394508176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351951513441452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351944490780524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351987555745102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735199709140702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351964731344657 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351949616996248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351965252068638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352011475296578 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351979326453917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735201628282349 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735193532192061 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351970876625752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735199358062022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735200086698598 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351997244634831 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351970510792836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351990534050551 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735199497024452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352004498338702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352007681923318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352018143717585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351976149343296 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351992912586847 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351994977466553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352015041603508 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352046929198645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352031521271793 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735203868269504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735201356127288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352063197939296 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352015186123476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17351987513708408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352025833853366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735206740799511 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352047373951088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352029707529776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352030927864617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352070272321138 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735206295538742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352030066147336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352081773996914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735206753587129 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735201046240719 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735203988653861 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352079361515693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352089923389413 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352038848897597 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735207976377386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735207744229696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352077659091383 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735211044752886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352064131733527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352060484622428 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352120104873148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352051923189432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352094936891013 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352032152693822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352070057498228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352048636535308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352074802108403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735207790342028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735206750889389 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352077214748474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735201744222373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352028829606236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352085352274513 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735206643859433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352037064948087 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352093256128873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735207404421927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352068386821157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735203201529602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352079510597668 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352081678590384 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352076759709684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173520882548843 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352080379239712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352054286068208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735205360060269 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352087502627458 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352135585338058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352056132580745 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352081877998668 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735211629773542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735210479480419 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735212196770713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735205977839758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352070182914994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352066693288432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735210040893437 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352122578111476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735213582477026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352141217433922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735210668512144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352138889398813 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735209844436187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352102068797204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735210772011264 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735212480906403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352127598849248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352140759997237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352088933508344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352081204416855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735207123114613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352119699341909 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352120939689364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352086003122869 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735211614018382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352090578214005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352102444112275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735208975717873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735208187816028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352117521365998 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352107198841638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352105798048312 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352105022215955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352103594135557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352106187517793 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352059647542026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352066528372997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735205751828207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352066003321787 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352056195214055 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352107044980616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352075244744664 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352061823695175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352094143644745 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352054057835775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352063122089068 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352116744477822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735210110881402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735209057112189 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352128484521173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735211588756612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735214124434247 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352139944279654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735213563541948 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352168046798727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352149539430176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352148757687064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352096154402635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352121029094864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735212462559625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735216324363877 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352170054304425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173522253494097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352160157983412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352191311549842 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352173524319592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352198282795578 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352214216390707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352227773411072 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352235480455638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352250250479945 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352232585818603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735225403670924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352303937011537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352214418733414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735229982109064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735225918814445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352277302285699 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352253879594717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173522686573973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352223631363856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735231479035663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352326112787916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352276914164574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352242055732323 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735229116345354 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352298768679522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735229493000082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735229097202238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352308549319012 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352346926432885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352318198867966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352272825332316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352340867680366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352279765594578 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352325855021225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352365527556943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352358587630246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352308418156231 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352371290259208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735227934821633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735230948308208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352356737203634 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352342518979733 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173522718089992 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352334041039075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352283705234958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352282152008036 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173522787876005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352319207210673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352308431956473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352302435879738 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352324830257068 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352310543995772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735233470229457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352300824173572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352331582699473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352354273218112 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352317610569162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735234447599148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735235790349802 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735234247120377 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352350863423047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352401330070255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352355708732176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352386584105847 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352377015835999 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735237062424802 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352378398133197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352396467210093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735235152913379 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735235837780662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735239822883352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352382577638473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352421684871816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352447284091424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352389802341153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735243249573921 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352448961163786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352382435953234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352424105056377 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352366553044418 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352394935041682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735236930464369 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352379603678286 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352407556275393 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735238027047658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352401253228297 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352414048740442 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352414744642497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352398236692199 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352466198719133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735241013954231 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735243123203022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352431325604284 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352428016920532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352412515539561 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735239862380953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352460193624475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173524363192253 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735243236262014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735244058157301 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352435210742004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352426005183771 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352468317016076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735243916724419 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352454001677525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352479045758146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352481989585594 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735248591638978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352462336329982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735245194578347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735248377694633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352492600906216 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735245178936579 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352438687071456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352467229235122 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735244786011454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735243540753765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352469631457149 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352485136821388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352532320701336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352468202667376 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352491726637173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352520551131426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735257907625173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735253765071402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352483254630865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735253274069801 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735249390420882 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352540164772315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735256023537226 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352541605276056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735254957656972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735255933646886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352550481523454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352562687015788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352541408435423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735258305721844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735257125281241 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352519940708092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352543343376134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352625651660653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735256439110912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352529442985812 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352559400861114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352532143556545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352554298163902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735253532263958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352553980447027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352575165067285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735257776809055 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352562549466832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735257337276711 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352572478080983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735257908370653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735252114705243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352536482585162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352527089668884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352525321894194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352541812530853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352561843668673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352560301783795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352595138243868 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352539568256234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352530663840574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352603675163822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352563229238271 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352582755557272 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352587435713784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352552899743245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352557777798372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352588801818042 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352587811793893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352606568020654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352588921339196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352587080332876 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352601445416993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352630028097193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735260915803398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735257231823107 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352600482588587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352581695711716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352625476849884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352592734195213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352625109137695 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352653350715253 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352621652945974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352654539091644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352661750251766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352622358060962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352608096705116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352650194403693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352713652150642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352677448826165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352673039411426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352667795648322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352707073715165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735269025024316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735266490435844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352698832592892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735269797716464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735272878804256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352738894072886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352671968566682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352745972909292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735273167155783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352715985339962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352746145761835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352793198739608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352690599739598 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352775704179535 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352808873921893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352794952140632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735280441325649 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352738062369347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352757229907012 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352740467534605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352806190432243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735279721856057 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352826433998203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735283574884997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352784172905766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352824032834643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352769298613924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735281004057752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352810449008155 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352853136047067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352830163421964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352777072417483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352763038273974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735279850651666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352803501976466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735277397848329 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735280340637509 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352802851716434 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735280138357608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352802674250864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735281325485098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352828396937478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735279250564343 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352813106007434 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352801865814954 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352802708623558 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735279271133663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735280383682195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352777580739415 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735279030512191 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352769536136217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352799747330366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352821750027367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352820527712698 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735288426743748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735285816300357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352834128411876 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173528770366139 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352876926264957 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352871340268838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352910358899704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352931305082822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352906753931305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352936304198593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352921884501865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352832967604379 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352887010483278 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352852929139517 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352805938556032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352863240572217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352839241833176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352860244394627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735283538269086 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352850319260993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735285605161609 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352845062015987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352891719592456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352879379534167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352876777107085 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352871300827474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352930070998207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735285300356097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352872320485388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735289081639902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735284631112459 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735289687292612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735282335675114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735282661694062 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352808806206957 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352866528470598 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735282836266665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352877080943613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352885989907832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352872234994476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352885225559478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352866052226015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735289317242142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352883302427052 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352846552686033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352929035522072 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352926532848212 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735288788781572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352918954937546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352875598785927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352925595977414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352885616742858 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352900382716357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352919851619075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352878482997863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352902080939628 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352917355434033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735295327454915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735294574991363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352944223626612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735291072128867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352914435247724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173529320847867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352960856160415 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352914925417784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352908162173175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352883736330385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352917108575486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352922835032258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352949354292677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352945745182322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173529362929924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352954538500234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352944528697165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352955802505485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352940683633844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352975327233552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735296897278541 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352957672877203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352989034439595 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352943294544373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352965611640558 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735299589569582 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352961976509654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735295918712642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352944417679078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352963312458267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352971130354863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352965414292695 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173530107919103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17352999280901554 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353031060247925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353065432656498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353059726164535 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353030611644876 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353018007546317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353007666740475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353047390365847 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353054401674972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353049453494487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173530649667294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353042543698194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353061310769888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353065596175501 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353065457798014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353038868636175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353099205297767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735312165211738 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735309313389722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735310304933389 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735309496845883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353123904729587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735314841600431 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353142567566485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353144816587054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353140708207637 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353100145012076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353142928271245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735314680465771 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353100076892694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353103485331248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735312543811887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353156592373026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353173086988233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353096821045702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353143348555472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353122317649658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353111729563567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353138248863523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353147592768103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735317637509169 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353150145603108 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353168232192137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735317145855645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353175041324162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353185323805395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353185328450044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353187364094955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353128669627976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735313722993855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353147440034974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353168394493637 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353203726074456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173531875186028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735320788046949 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353181830461756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353214518999704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353261909913092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353228115426816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735316568270085 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353140197406772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353193377093307 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353185500774745 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735317792309588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353198712706364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353152517811224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353154275042507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173531697953632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735315905872983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353212114108338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353181882646976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735319318501011 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353158235828797 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735322137806852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353213610363893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353253660756504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735321799860886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735322449923409 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353279529790278 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735325101296832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353267600423972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353251235153508 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353275110046812 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735324552642982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353256527856595 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353269988465725 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173532542117675 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353325584926532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353279512390726 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353264836835366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353281079177402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735328570268621 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353307234366355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735327028826443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353288773675468 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353314006747395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353310337522326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735329876551654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735332482106447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735332706763921 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353346537906372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353318129114584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353293721289284 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735331410943277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353311885136666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735331585822574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353344555382552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353341965029015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353327881098785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353358792420936 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353338014613007 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353354960238002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353340161706574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353352094345892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353394377387482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353346144274998 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353346486331073 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735333387765748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735337818707229 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353319349283983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353359136799704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735332339091683 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735330661213449 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353383763867705 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353352485530846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353338757847295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353371537222642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353302991803624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353317516508834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353306331894852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353321340400388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353331421395682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353309424456595 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735332079461807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735334733152315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353299221368806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353312834098356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353356079150056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735332805741931 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353323396749773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353322530455537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353330930592428 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353360056623687 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353344526543346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735336118616602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353407831168788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735337466161303 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353400185195195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353427966507465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353336516224735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735338084626649 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353457925311183 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735344226273408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353381044034033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353389686622211 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353434011590627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735337349321863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353391969762053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353376715985372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353404798792946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353384017759324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735339818464645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353428798007983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735337599796953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353387862792113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735335988926095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353410546696063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735339677989008 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353420268742678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353426130228047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353423504438753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353414256201188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735340951078265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353421063731508 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735337854594127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735343913012443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353423792295739 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353418782856356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353419201689252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353415121350912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735340337793417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353383570638045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353429187759195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353427215990092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353449043050778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353466998872238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353472990018853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735345003474515 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735343046127401 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353463004041794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353392817306032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353412380885738 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353447963681448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735341493794204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353458911644523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353463268309952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353425530900993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353459588265555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173534885871164 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353506586472378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353448686524675 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353458671750857 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353488638809852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353467880747298 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353458405191977 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353478130161784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353550137232113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353493211287982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353521872962688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353525149069313 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173534935028203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353496569465268 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353494984065654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353467591599084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353484095426444 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735346504465615 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353483646919762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735347676208097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353493738449965 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353527194927698 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353539605504872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353531313485804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353582016395266 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735353131298629 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735356537242257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353580725203563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353553008907247 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353577736806314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353532618289377 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353566629588035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353537827458024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353585746476366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353604316832197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353564071818642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353543664289667 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353536760552626 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735353246909447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735354717330436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353585937808244 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353589991483045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735353659181898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353583434007452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353570901783694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353555263763457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735357472176928 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353538720841993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735353700563401 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735356581099974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353561640248538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353593737582473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353637382172832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353658858051962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735357633991344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735357768549585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735360408667525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353591217776357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353579781625114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353622121044487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353601931450197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353606507741545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735363284832506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353605168744496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353598762953293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353654291897705 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353618043388677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735363199977311 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353605586320042 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353597910111057 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353633845168867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735366456465105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353661305646456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353693589074187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353646123263047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353693007817075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353669230504074 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173536526783646 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735368632490651 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353707166605079 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735366346501046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353688794161587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735370611668376 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353682334205897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353691821286843 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353686340114863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173536761323974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735366738701271 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353670938121457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353698563848138 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353706718853687 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173537064560796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735369257010212 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353679749896658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353644114481726 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353735927509037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353626592424898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353701782948425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353722906660476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353670116354494 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353696877099592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353713840908436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353727867478733 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735374199270451 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353686961665934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353719777618273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353660776795388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353734549582825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353706021081106 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735366777644862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353693176562374 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353696382825265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353704051953256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735369741731904 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735374428237785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353695301102576 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353725635950207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735368635420492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353768112778353 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353726170924166 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353767483076063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735373477547536 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735374245774575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353773142340828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353760110728247 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735373008829958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353782205097584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353776698392645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353802205908017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735377001398513 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735379547231705 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353800752017337 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353761920894364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735377275082307 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353769674477915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353773488682228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353804638455703 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353843109120554 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353882745809696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353850519067038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353844000827895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353840791242447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353852265094422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735381674781684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353854411395556 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735384172468723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173538404305922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735383627718229 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735383391441104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353851796253875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353785656419152 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353835178621385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353862310870577 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353902545278155 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353869034753386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353874650080287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353869432340696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353857905197395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735389250772417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353851208900792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735388888630451 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353882201087031 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353887542350202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353875531233015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353877944438711 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735385071613041 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353887801248943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353913528570059 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353940145839467 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353928637802257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735388458686756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353887299075868 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353948197423322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735394198254268 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735391092284045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353896023211668 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353904115447313 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735384884507492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353893020525168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353893971221404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353894113358703 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735390477502269 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353912670791105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735395988798156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353908664117995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353930560169317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353950063148985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353925777965004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735394963934751 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353945676163582 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735398529568405 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353927376609968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353947484820223 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353920563491285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353947719297855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353900631150643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353888206586157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354000438816666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735401892673537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353975314127726 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735400285647656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354001622699647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353989439675976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354009957825264 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354037871152353 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354028646565137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354053479393178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354026436237385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353993625020683 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354028635748373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354034634809049 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354035825037786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735403579461393 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354031305832293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354000938605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354024418511602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735399068758826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735403442150321 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354022694524732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735400432699939 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353995728523344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17353990698693228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354000430294828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735401791287907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354016404286587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354001283699888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354025332423137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735405150567013 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354030997117342 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354085710664244 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354069852077744 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354031513389367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354076445663985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354013962209322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735401598174571 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354072547568536 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354054442972236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354060157937917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735407938709621 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354100136005218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354048780923553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735406373989804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735409130458299 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354086827090104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354093410725555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735411497991605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354109829080838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354110419145088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354154742191427 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354150082625194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354096880028577 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354146893566355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354131960968783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354132384600587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735414666466094 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354127209918704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354162583548546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354135953774885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354139419218137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354140921251562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173541351444113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354176006830005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354139719614528 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735415072220901 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735410647102532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735409359991504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735409286537352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354155514041786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354153009651324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735415415647712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354180957024462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354144909904953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354165207314176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735416538845023 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354145870097948 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354177615791372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354204216295388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735420275646898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354226092938344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735413447308248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354211694790367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173542096025394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354226776583997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354246937033924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354230847013308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735424070503738 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735420008007189 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354258516039117 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354239769345253 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735425228350255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735423119732909 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354235312164756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354243624204407 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354234820455838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354225611009927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354214436537702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735427039836386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354226240986922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354221995429767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735424683700481 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354257546596177 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354245834833457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354296658070728 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735425668214444 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354270944306743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735427107293923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735427320669542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735425697510806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354219497674533 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354276489748716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354259424828256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735427418970731 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354285785309564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354294005999135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354258431271455 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354253530274927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735425847141286 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354286598556362 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354244804299476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735427911333026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354287061597246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354277140462124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354305706796963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354306278994144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735429742775492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354271339704264 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354297915109793 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354288722447433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354285613395085 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354307000457275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735429419828979 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354324030575816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735425529592485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354281149756592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354270612846753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735425464359488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354296833172972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735428992195452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354334959597936 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735433728733882 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354337667707032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354302555307244 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735435058126713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354329394237109 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354366714069236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354325614548674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735435940950819 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354346735335155 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735433425697498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354328558999296 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354312124718263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735434616857275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354334894642987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735438374395442 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354308835670032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354357244513727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735427899051189 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735432818405583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354351103094331 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354339083352557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735433112877035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354378035250725 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354325435786813 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735434535530893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735437424307017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735433596466011 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735442946510181 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354351310330668 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354363994738775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735437449328818 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735434867136166 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354381391606274 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354370898476962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354409394062423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354414573108295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735440212433099 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735442633423034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354443836481984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354425504766188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735441863862926 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354402943635713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354422357996918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354431177190174 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354436553991337 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354464040031545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354436741477178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354439983649592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354436591965275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735441403715394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354394393100195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354382297164425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354414377157326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354369096631056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354407726149207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354438763096372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735446125693098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354454214855639 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354465421023108 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354408619638623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354443084317708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354434252444959 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354487858281617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354438065086109 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354458930992114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354468934167147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354466800995497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354474319984672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354500478381282 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735449481379972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354487407090677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354469993477123 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354533973070732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354580121639882 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354525847649122 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354570915894654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354555577594424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354560774171152 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354517565360109 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354541095177572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735448434617823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354555419303105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735450629660779 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354536720696442 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354528073232453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735450983662202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354490953711887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354535320788095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354479880037724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735447038159054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354514293674814 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354556203180288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354500205013762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354490989248983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354477890797196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354495540143777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354534272243702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354556708076993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354531069320875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354533439326175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354547735557352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735458451131418 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735454378144724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354600546809495 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354590644216142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354533637222488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354577312887068 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354591385921234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354614841065952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354564971135067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354601705778566 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735457951841807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354572898517315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354597449789774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354613497444604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354573176331556 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354560287403764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735457578238986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354583941155258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354631908943677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354574985566903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735461348515027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354619299355808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354596685282664 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173546809713803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354572473528007 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354631636413484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354631373297116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354668246832008 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354644607958228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354656517118022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354639239182534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173546718343152 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354663733709155 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354690183851448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735471726149692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354660096318553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354649362658986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354684207972532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354645409847996 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354710994548522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354637521538238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735462809607229 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735461246197257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354679122280184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354645982496755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735460537371179 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173546961665544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735468784951659 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735461929994705 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735464848871496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735467698763233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354674557788632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354655001249208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354648837788175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354696835571526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735472267850159 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735465849384989 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354738299095182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354648389772873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354711494251424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354703876542782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735465282510372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354699271463406 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354687895010532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354670282875592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354667899048815 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354736971741916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354691660381732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354727322438096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354685281906568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354752431584947 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354728550322737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735472278150142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354719934578067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354728686704407 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354733960650837 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354726111107568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354769511624465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354741309690766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735477452331424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735473939383479 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173547544727352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354749772443812 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354782030764437 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354777284163037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354749687132534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354729015641598 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173547776083719 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354798461940482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735473915126953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354744974282468 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354762575397087 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354780128722225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354760052855284 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354758687149727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354781934271157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735475660257297 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354851220971665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354758093321498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354847248944724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354828089704608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354809933185275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354849205030617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354755033125435 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173548095000834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354871711269257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354849646060824 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354824848000514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735479366317601 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354841674595045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354803437697522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354802277562045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354829528863128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735483141005487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354826053212732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354860603542563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354864601497003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354872296232857 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354811715566884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173548108926647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354835850181188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735492301508479 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354912313527487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354894305637525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735491381563491 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354914991365433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354943395990188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735495670409038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354901878717927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735492661775386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354951981581004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354939060184668 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354918621156457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354958718380753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354962281243433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354980444039078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354985144311336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735497936462708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735499053569609 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735497271134201 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354982981473546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355021506683496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355020796665957 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354944224675906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735491216446654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354994503540697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354955977113284 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354991877734435 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355001955548824 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354989828943077 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354928331333108 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354979117924774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354962588208084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354929390965887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354960599022906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354936929506884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735495788449643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354919384528783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354955511892065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354939739188682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354987827166404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735496521265005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354939880891113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354930936289206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354978367046497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355013683649567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735501000332408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17354971919027065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735501720445927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173550171062362 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355000588919098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355050119830548 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173550047936474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735500137082456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735502614251223 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735500763769302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173550233678852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355035240516573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735502413579887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355033854062182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355042615370567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735503672224945 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173550349372405 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355023499877162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735503263976858 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735506331392983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355056989641574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735507215065048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735506151520828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735508072819139 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355120199693397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355129919436682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355119501846702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355113688799717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355075882768628 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735512609165016 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355123918224655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355151271788719 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355134615411352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355101293644137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355078576086028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355118801531627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355066091679408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355124392823584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355072970335148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355062131524945 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355085164521994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355068786536262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355148944922144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735510552080916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355071686249224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355040792583082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355052376157584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735507468003674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355123164549005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355124637873623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355066314500145 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735514958461691 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355125952148284 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355106722890062 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355143404466747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735507599174581 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735511205426148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735510640079985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355106402533352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355118655701843 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355150028252955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355170574735093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355138279333313 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735512079553608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355146052045925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355136924963632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355158295875486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355163536822377 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355138410050752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355159477680804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355141663695076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355194814588779 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355177376130013 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173551579759128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355174335077622 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355197777846385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355177537117045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735520682649606 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355189942917176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355210316845268 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355211594927644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355162147959466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735519148439109 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355199141437133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355183565569715 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355195401986395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355219131585692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355184711373814 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735520717085936 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355217136219345 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355219945426045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173552101510869 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355198484504417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735521611218131 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355217936139364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735520617797833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735526217216029 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355228450756785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355229018588197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735522027009165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355212836120135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355230879064684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735525118542295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355237561823003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355233207343812 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355236687799955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735523066782333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355251436031938 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355258943703403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355242444911415 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735523511127192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355214143250935 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355264624637068 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355239616056692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735527277513491 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355222553446062 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355263649664415 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355257984350117 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355267991585807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735527021188951 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735527974516748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735530174318279 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355273879329303 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735527057334064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355317836558193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735526769792266 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355255669623398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355287374452444 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355299289969148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355289269871196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735529866518073 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355233363932623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735529816696985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355301562156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355320853411424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355304563509616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355357639464777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355288041697473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355293323600035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355313813369147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355311392935516 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355321143782396 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355274397783244 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355328902254308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355286637610776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735530525058891 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735529172658983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355315236133098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355293833164734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355303854653562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735529850032436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735528130712605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355296224683997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735531941034047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355333072542892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735530643544126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735534327241916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355390839717047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735538078584868 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735535245957563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355351221563828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355346067517385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355383075833467 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355378675217892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735538118574539 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735536720347729 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355396793702763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355415803885044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735543118212964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735541526897533 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355419535832825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355388525779872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735539381529539 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355442150948053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355416144005378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355407696677375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355437735233856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735546675923251 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355432870355178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355434493473215 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735540232845985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355501024146794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735550582869101 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355449444189167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355493710735262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355445222751686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355469762933853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355541417141632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355483040471226 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735549677680162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355482862423452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735549922037807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355465514809096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355508321554258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355447460304815 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735550649571687 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355496207346574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355497983448806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355493482024098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355489343920233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355549213421229 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355547670703522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355521587304476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355524465346234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355531299244684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355518895297206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355487455349924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355524436143674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355516093272466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355562988257064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173555379014808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355586036190684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355527057942796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355547071106112 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355550438858475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355570339498166 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355587136239928 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735550053106919 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355537376517838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355502325894417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355523649735335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355552634555269 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355557101661426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735555164614381 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355561033650757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735549546911327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355584540276853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355582300881692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355523723026994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355574968289772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735554990394052 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735554937653752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735560644133387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355602164242404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355588367671757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355558940989035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355631206192898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355582076844564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173555903721235 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735553603832271 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173555997977387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355632476842947 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355603107225445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355605536614002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355636229366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355637399592036 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735560049543752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355588350291487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735564623320351 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355581330568734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355607906231457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355611912291324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173556185112487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355672609495823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355620623240817 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355632716542066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355625457986898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355634709246107 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355627689807276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355637009098027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355621474670854 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735564159105232 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355640540764333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355661007199344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355633443535126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355682083588178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173556788682863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735567414317256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355691704857576 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355642119418455 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355670931225975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355722068491689 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355722502223234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355680279491323 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355678165712055 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355685367332788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735572874244114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735570027643528 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735569125156625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735567126097114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355726778041836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355674475868413 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355721371407953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735573529956809 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355728216386918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355712508837967 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355720235212269 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355701988457928 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355681635723177 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355708212349227 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355727604205512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355739573833978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173557444152078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355742536757052 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355716961666862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355758815149785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355755603175085 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355717453576608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355762456867754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355768690040396 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735576739489611 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735576738005936 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355811193567255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355832909763902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355804139591477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355836317103215 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355790189796852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355840824151414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355859785154876 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355819003411213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355829697318767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355830698212046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355835015399873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735582256657486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355877307378959 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355897966404346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355846391315682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355915517522122 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355843837114368 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355870650770341 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355847982082181 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355845368097633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355835014667584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735586062716708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355873837671776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735589576901175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355929748462853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355867612172732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735588252860407 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735589005650113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735589054882486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735589562443422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355897390390748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735588655578409 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355928657721317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355891444660468 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355941951867418 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355891427884684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355875690015327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355902624445643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355883600412472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735592812441953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355912759291395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173558690024452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173558905395624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355904312319215 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735593939460865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735589698406316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355928255485498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735596249877197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355904256495222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735596859745207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355936816599327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355943933038914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355964488780243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355940744003712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355931362835322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355949098576576 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735592888465532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355966217174287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355966124377636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355983328516353 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355986257999872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735596731320894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355961379611234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355979047815356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355947936331634 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355958144843311 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355971766727846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735598396370403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356046127769537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355962700581468 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355997921865257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355944439767582 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355995561077273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355960091767614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355998083002883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356003685277915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356005690870444 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735596877461038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355968657578685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356023546625063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355975990509154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355984888687107 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355996318887182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355966504290454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355980380270014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355946074277306 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735595423386698 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355960121473016 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355974330763776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735600429567975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735600611035409 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356007107476076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735597792605076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356010644437395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356034578030669 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356047365369218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356052885895584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173560177180181 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356032665678758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356023316982244 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356007081944919 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735604944808607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735603907034916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17355992812247423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356092605210605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356040938830744 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356057291686602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356039208679938 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356098329384237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735608450347318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356047352342718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356095377152247 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735610112418415 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356055305143955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356080376509325 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356086303665444 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356116345162118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356117131516577 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356086754700434 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173561052970951 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356103012118135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173561061869603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356126477755426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356092537932005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356101901581208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356110810696113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356104326296112 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735612813293333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356091300720622 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735613677411996 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356168057510676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356203375550908 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735613637786946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735613208292589 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356137501327917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735614039774897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735615160315913 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356127535035062 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356184723849805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735614085682653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356134620362726 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356154287109343 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735616654909397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735619772952603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735619327989425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356188157097188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356141196974095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735616090734787 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735616090171455 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356207768032583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735620903154486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356207544000235 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735618064552172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356185425344678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735620215708073 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356219202369072 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173561899706473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356228341048338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356216324147591 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735624632415449 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735621437384466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735623674676014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356224030730702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735620455932999 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735625076355601 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356241106106637 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356250472650167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356232517938297 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735623076426287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356247297578475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356240296739173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356219358585073 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356236009441997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356235272497894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735624999779011 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356222290561024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735619056963105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356216311573427 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356245547629945 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356281135752216 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735623760700535 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356244621749273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356262720849652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735622933946778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356259715357392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356300205393158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173562699546319 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735631358983015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735631550833394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356303747570814 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356307277581368 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356333866868823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356329670533466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356304867261257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735631440540831 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735635272610666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356334225974496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356368193396104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735634075334378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356324746544624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735628951088804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735632843294607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356347535080535 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356343616710465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735628869426345 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356336389591534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356348508862826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356354879057184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356281561343812 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356365217594522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356302283779348 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735631431633341 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356301004983282 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356346353932206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735630599924018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356302578324354 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356303708877466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356310119818089 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356293163538683 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735634928679648 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735636190708365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356343253994447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356344574689633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356341820536061 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356389930111674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356418410763075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356431519250606 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356381968796153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356369671095823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356404597737232 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356391127029733 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356417249402856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356394541130704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356432332972901 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735641767862529 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735641955836098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356411123597573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356407297588541 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356393408662774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356445292202144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356455244940586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356390652864226 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356463779098583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735641982308116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356448002331437 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735645338964219 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735641644923101 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356473717146106 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735642063376687 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356474034797073 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356459999610016 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356458691947307 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356502470135596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356513424895986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356499497081593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356465353351938 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356484995947344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735650651568867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356486503142804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735649186663448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735650348966272 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356475873463348 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356499237875275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356460878973504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356496248514025 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735651587573427 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356495722059614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356539392809678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735653369922197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356521249719103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356537794046673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735652420595302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356566320703673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356533784779296 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356552138051165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356554818630604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735658638641403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735654794972093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356560351707526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356589919267934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356587845005986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356619872074858 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356571002466442 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735661010452245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356612032477817 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735662555594855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356633526157694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356589364528668 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356586232986398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356622338923086 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356597292346926 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356612304587182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356630476883136 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356573400224343 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735660401460834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356600643034967 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356574219485107 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356621944697131 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735659806706559 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356628195838283 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356621060261834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356639363881732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356648826564985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735665214977901 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356671987028385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735661188033335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356618914500432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356662331041037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356680635359317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356676175085425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356692889941394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735666871883429 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356672257844796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356696553453985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356690296355073 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735669551551156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735669410642981 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356723194394447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735670572606913 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735664806407653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356702312425112 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735670405993897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735670520482953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356708389210007 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735670371252866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356726430905378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356772375033372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356723596915127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356731422564511 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735672658736978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735674324509041 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356728258780446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735675522858234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356757026937583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356720547604243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356693372890514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356713565579415 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356684188502225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356704988263652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735670294956012 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356695458482574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356712576525013 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356719784647465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356695777069517 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356751531671702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735672594807189 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356737835064867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735675410988041 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356682656664296 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356769199153632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735677780909897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356748063342467 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356771122238146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356785857411466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356778488679325 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356768172358972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356712786663492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735673791072652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356754705394364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356749096679214 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356777956291952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356724173918414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735678056898069 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356783064260786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356764132545432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735676135527852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356816488326926 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356818881136535 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735680596195613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356759901429855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735680823542059 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356727014965778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735680171558278 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735682202965559 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356818913432293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356827964322866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356869312392864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356851765742454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356834263008764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735682485294385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356815194111555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735681483068248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356779079955476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356840620529826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356871564989482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356845708097635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356808278656374 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735684948431961 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356826074537743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735685552489469 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356866531243656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735684862853072 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356845076240388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735686729569654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356900589542237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356852875000087 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735686385145694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356838314470294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173568302462288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356827425479024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735688461867525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356865855596976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356814302598464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356854636473515 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356866045973815 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356871777424512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356868607202783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735691528115725 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735687203649451 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356847327297167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356887781707087 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735689893495938 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356895901178343 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735690158080739 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356906022839888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356917782856113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356920557315358 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735693012245039 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356948108656237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356911251715584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735695958125177 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735695082896033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356916115231327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356933774390024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356945738167348 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356948685394455 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735696097478041 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356963475849302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356972992648845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356976051102638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357007697364055 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356994014987956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357018396101154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17356979469890313 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173569830705233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357020749664095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735704554169605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735702637852357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357033559041202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357032655675458 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357022556905782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357094452865857 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357029049824985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357055457666493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357103362464382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735714884906323 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357110120898303 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357077813075228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357128281202353 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735709989825388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357093060638643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357101017940046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735711112310603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357096513895914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357075094723504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735708887577804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735705444934684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357108776423782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357065138252606 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735708866817656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357082432403237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357107300742924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357102961936385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357065458291474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735712090820876 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357124656875408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357108201348936 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735708873451139 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357107535860816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735709861344782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357073121589872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735710946816614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357148351243054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357122757682364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735712557371905 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357119234041046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735718538932691 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357195033544803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357145633970583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735716723087881 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735719498455386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173572317018033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735721473711997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357242750228474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357229004055436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357199470539922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735720450342664 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735716390983597 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357215570049844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357166928335352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357201867735791 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357193834550264 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357182742970068 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357195046283988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357159252794896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357205584398522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735717279512049 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357216644689288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357162182374103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357199486443603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357166158116524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357171298335966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357210472997514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735719465120747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357179413289275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357222723800955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357220303489165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735719352628373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357197230851742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735724743195445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357226842940812 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357203430590676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357185648564405 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357206028091918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357233172539652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735721399520072 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357229226332707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357262527825787 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735725878067134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735729362564214 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357323410484612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357290209097917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357209766279427 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357226067098375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357230959902697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357224933581947 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357259004581752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357243065359265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357263319605146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735725574174005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735722565227549 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357271463378968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357254262564523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735728277722366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357255712314204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357254370721575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357282108550062 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357272446914102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357273891679384 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735729597712151 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735730636250873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735728050664652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357288593989292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357276463225765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357279390568456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735731634666576 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735733605576094 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357252396901743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357316801281014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357304097184156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357286885936005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357303798308088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173572870231796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735728400289245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357320545876526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357273871474474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357321555391786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357302102367325 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735728675930197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357320774518326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357289100210346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735733216868994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357328114582 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357342262140474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735729903795101 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735731850865867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357312130607896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357296738039021 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357284091149286 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357303060827273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357283043857283 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735729157721391 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735729835371377 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357301422546406 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357282312952338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735728958850863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735734118975652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735728857063167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357277754970038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357289671782836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357236411271162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735724893630247 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357263090790875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357303467800334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357288203379972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735730630239735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735729912702648 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357293608432783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357276329853233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357259172879186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357307118282467 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357236857631736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357258259075908 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357284915088525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357229220193118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735729648248571 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357285617412846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357244153012377 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357302084149645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357245031039867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357262088469735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357304029494494 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357315244061672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357331808273466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357275002599762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357318085673162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357321953489768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357333217804172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357385869424294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735736028190387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357328772986674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357331860400801 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357325891140238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357312633709124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357341530786893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357348530335454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357346005602717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357356228232781 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735738827889217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357367869341758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357398527664306 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357421788274616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357419361885593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357465902810781 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357461821325337 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357421166963874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357452258802916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357459773064413 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357453075237497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735745704500922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357443479756504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357415556113345 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357468704076034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357423047679502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357465336584077 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357478248877267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357512089227564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357483988897096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735746055305248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357475051091417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357494988960745 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357507000619302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357473278977234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357462167859397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357479715688834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357512162271563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357489272361626 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357520049430317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357476916634673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735751769943296 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357497474367678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357532120670918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357553096666553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357564785709148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357563400052903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357612106849543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357616966373438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357601964407507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357606557356642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735758549937953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357524873127314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357548384427537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357522002415912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357544454669854 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357512790279764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357516004351256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357514896667064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735758720770067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735756346226832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357584881399601 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357592952756293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357558196099684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735760313240311 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735761569887904 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357615700466342 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357620754652267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357607057368307 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735761764312049 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357615496960294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357649989120374 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357692311354356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735766717665841 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735765384916083 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357643197449196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357654157432417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357680467419997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357655481758733 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357658005010573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735766790697083 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357681364889127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357674311612684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357654925291682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357671791473098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357693867537854 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357664944199475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735770637303766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357707098444458 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735769549245541 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735767195339604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735768142010434 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357698015485215 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357708281336906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357663382308144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357681992524487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735767923286882 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357729539570457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735769156424111 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735768073056584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357711144135846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357724394002033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357710586633454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357770443914602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357760969338928 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357784164053858 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357754057782115 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357735592218718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357767698742788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357773225923495 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357741013873354 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735779123047057 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357758845824356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357757261045575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735777260181749 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357734638188557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357769813081717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357776430598176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357769866003445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357765876355397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357757137581822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735774148796541 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735777338615811 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735781304416199 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357781063485492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735777939937745 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357790955632124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357785852537852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357777632053686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735778541451316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357803985372222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357825435671245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735783797582825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357815737227633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357854216503085 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357843489240846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735783071315066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357829303955893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357844669454953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357837330805015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357892398286948 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735782533287618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357809105174693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357872723426063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357904686854486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357884016891525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357866548666925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357877116340567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357868469093923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357823014907148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735785716183514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357824522974055 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357865191509386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357843318604707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357842785583294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735784470232685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735785381548291 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735789578347033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357897253506355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357852683689265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735784782317929 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357888475628136 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357896421471627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735785972521883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357883763110654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357898318408346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357867866680315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357857521358827 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173578758442148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357838725689956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357837006441906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357866614414671 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357891480394436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357838577329748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357869099543907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735779975652133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357836289425163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357828581183607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357876608528444 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357841666202045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735786775310535 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735787556812246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357828720570828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357864140485862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357828750730148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357840567977106 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357864154116234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357854998132477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357851939788263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735786541218511 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357883831481768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357879111107408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357880580576987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357883057902848 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357881762458593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357902657040264 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357932042329938 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357865933326988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735789782214918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357920383802403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735789531802104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357924607161695 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735789148064409 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357907451224255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357927890166172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735792168226386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357907538270692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357917775100035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357933746542262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735786851070041 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735792674458196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357931159388895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357893718211484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735791976043551 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735792342762225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357900038635798 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357941065429683 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357882449123568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735793661162237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357915197075469 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357904582843026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357910048997235 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357941990371742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357933406279502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357953804082704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357891917805454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357904386946477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357879439411628 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357907040121637 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357898771544403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357912193667246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357963121343545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357932544696775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357929605380076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357898255149481 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357934189541835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735790347411074 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357902391719224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735790940257191 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357920306450245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357985713258833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357920256468046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357925556493387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357951175672032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357947443839078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358003231305763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357988159456786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357959335542889 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357979470643878 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357993479641465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357995261263742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357989426360562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357965943738643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735801207055509 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735797381262264 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17357972500238908 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358003522174387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358041213366798 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358049213765112 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358016666579731 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735801478420947 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358026290490483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358058856069894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358021565071236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358018780818646 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358015932226056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358013944837822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358055742978562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173580444266099 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358096917180094 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358049381957025 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358085674888596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358067268060734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358113490610033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358090808323645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358100525407835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358068643002653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358093857062173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358077319284754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735803606553582 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735810694587996 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358130513072398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735808775562219 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358091025873357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358085535986564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358060003339718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358155537828718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735810449805472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735813601781118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358140068236838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358124248631457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735813234737129 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358121897030457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358159001486453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358112856902816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358131828513929 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358148180917185 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358178193102727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358179370649637 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358166878963982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358135303144046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735814669819039 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735816742486753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358146106004327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358149587560542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735819437980396 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735819674067831 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735814642728401 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735816268102982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358182055752042 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358143699884498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358211175241356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358165355548383 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735818209537289 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173581764155697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358195321330996 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358191933643594 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358211540559865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358217814382462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358209595654187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358206282686514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358215330049512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358173809847263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735819946847856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358205309793295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358159047524205 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173581835859362 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735823016388881 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735823028385753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358238604264445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358193984721396 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358226774457086 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358264172774698 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358259639337334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358268154934417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173582582870747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173582556528418 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735828153823987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358258855420547 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358248654350522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735825921355491 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735830789142292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358303006822376 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358239812180543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358289185832979 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358223242685036 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173582690263324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173582571954352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358315755998585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358262468669028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358240237235253 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358254963762482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735826146481821 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358257003590147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358256326277183 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735823014182246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358230839415037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358257987606635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358262457668316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358264988402936 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735824142736665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735822495908931 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358230326881754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735823175989026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735825971519191 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358287275415857 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358287485121746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358283149407075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358289318709694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358279633777285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735828888981724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735825892250593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358276025654407 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358243767773188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358269624247613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735824865729338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358278056667642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358271091665162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358264153990335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735827734268249 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358287216285834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358249574701173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735830231346143 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358308286341723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358245576805512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358282007069134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358263093133586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358285141648316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735827342140276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358330059610388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358309542460595 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735827092938556 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358357302625438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358313030454303 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358299645291497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358308582634066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358301637428908 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358288671688626 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358322420864836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358245318710938 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735831049740912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358336244650655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358314476373127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358322926914546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358345743748013 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358395466978976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358345245199008 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173583495090414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358343807316187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358354873080226 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358347513347122 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358327827283096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173583308136004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735837133404988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735830792911031 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358351555078605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358327087198303 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358298526652569 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358346775879116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735834544225356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358333208335458 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358385584818956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358331057680151 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358365288624503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358347497142615 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735839752087838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358388375061762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358407658006209 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358409324354168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358406617164077 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358401050566044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358370618215424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358365587146093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358380225331954 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358383254587648 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358395375146365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358390220834513 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358361291088073 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358401957730743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358407032311093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358392874932055 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358389784407874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358364453339856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358468400932123 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358381808533493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358427223830256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358468949038589 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173584279135164 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358452368956268 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735847793063462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358495806899973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358435140521716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735845619471301 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358460969156342 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735849844370372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358463488433978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358529754876076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358535325525754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358464667777646 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358488277346795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358477945086387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735849433984916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358464527519168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735849981110789 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735844235222283 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735850814708903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358458455142992 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358473284431802 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735849172070392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358452425879395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358488172161543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735847381470404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358514032028652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358495159099285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358490045194222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358482968229322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358541465034738 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358503448352358 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735848824429793 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173584983453964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358527264506218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735847552454328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358500678180805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358494509385713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358470147502894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358444538008047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358527517564415 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358491698157616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358510813289707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358503441137663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358495842432173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735848367466976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735852510562581 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358535600670041 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358492106123255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358528663726736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358533678378926 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358491802682957 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358551319732898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358584323063092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358560831286238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358532207744504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358546269796746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358540568347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358533255066827 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735856843400482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358562023303573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358518633906433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358524572546133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735852305629337 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358529158282837 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358500729516 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358500130320018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358537258393514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358505174235764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735852584808338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358561860435537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358514534661698 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358573598881982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358554618387234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735852443534693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358536982605294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358513925685942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358548736018092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358541377990644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358533447184815 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358549518873906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358533898334427 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358468959589612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358490352159697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358553037456098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358559436042367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735858647208742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358579683666814 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358567137685865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358497171051587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358540272195802 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358565691955938 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358602988468438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173585660675716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173586071693426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358609064009453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358610468004557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735862981037003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735860705489393 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358585999608817 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358598587747973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358604390435914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358613513301366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735863574057546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358602872222623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358626342022943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735861945160855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358626375449168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358579754171893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358651392370977 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358658094751328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358610163702015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358627298634527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358676130999123 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735860881564278 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358623544736712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735860748801961 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358684906947 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735863836642376 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735865660803259 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358685716587455 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358644783316962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735865582710691 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358678081343498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358643603444457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358643060170265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735867537911445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358662017245508 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173586601394853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358638270278692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173586819154833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173587029803577 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358722455530262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358687300345324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358671551330915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358700852382075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735867764490024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358701468664958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358718056487568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735871389371417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358685583543482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735864888485527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358706526311113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358723428670755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358724305296788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358698980111506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358711092360687 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358699872971728 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358719493104907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358725475984801 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358753191995588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358714148320192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358724879998091 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358745667802128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358735858715804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358682619814447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735873662587292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358748793382447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358781646134983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358718511647422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358755626503794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358722094972426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735875145409022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358769025611556 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358727555599768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358742928645374 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358713341278617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358763270087388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358760667559675 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358739374384682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358769353593373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358730158457192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735868305977281 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358655758767041 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735873893216448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358713652360025 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358746164354927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735866717370698 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358780587199363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358741917268172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358723419058575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735872924368681 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358703700895753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735870059209381 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358690353045256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358742545789096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358737858786802 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358777381313495 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358825693587523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735881727029009 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735882670740837 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358856915330048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735882879568541 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358814445442006 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358819127896044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358829310641485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358859067042812 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358830199449277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358813919331884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358813207214135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735885370400322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358831917194587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735883751515123 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358869366988972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173588677806984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358881273636287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358869884669348 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173588540406872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735889422703326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358853139206346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358881790445568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358875710956334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358891355150244 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358897779170346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735888741830298 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358886165584958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358865491221956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735890665282711 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358893357173497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358907625905776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358909696489586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735891905748931 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358890151722356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735890534757444 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358926179946055 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358944292894993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735893098475293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173588838090931 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358906691105896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358928159351872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358945955354768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358921852961065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735890484363684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358955814925586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358987309632584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735894307775093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358960902978915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735893369584918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358944304173285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358984640009759 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358937263415666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735894957825689 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735893956428345 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358987111377688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358981838249257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735896929005607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358966335489912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358955372744803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358945809923232 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358946267142333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735899166370592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358978244600268 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735897417323502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735899294327849 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735902670723841 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735897156268708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735897941359741 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358986297367582 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735897196114525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17358982041503382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359006685059014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359021547370873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359031820737403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735901750493555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359001313009503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735902007190344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735901140897953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359036084236773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359020224852564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359015078985024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735902394601979 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735906003462508 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359044407005494 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359042023835286 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359070888891318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735899168523947 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359038136807947 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359038234254714 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735908179622645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359059738492214 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735906274586411 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359061316277072 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735906249199913 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359074585511622 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359097099414753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359094490350724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359132718843853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359080362490184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735913531922713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173591124718867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359134325422143 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359150240881943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735914462772672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735912164767894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359190152309822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359167388136534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359129501840467 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359133499497054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359207589125658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735913884099625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359136397676372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359159651409772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735917021253877 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359162011296408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359178576323825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735919294993796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359183426873312 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359162330137173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359188807663728 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359164203165567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359144227996134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735918907432956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359206073445918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359184074308667 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359205454361631 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359167477483045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735919963317615 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359184859088939 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359250219352665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359213747240695 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359194796412594 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359183617757695 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735919420115867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359172606689335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735921968558028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735918084490264 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359166016681277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359212367745566 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735919218059854 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359186372064103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359175738881455 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735917712633292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359203097974654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359206036709504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735924208577749 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359226649030865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359207925848813 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359247451600757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359192560010592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735918607871398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359213716101612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359218182189623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359201671008004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359197587762115 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359233186554612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359227086415888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359243190580864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359248804180447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359265032593718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359228174495633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359233561559873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735922219502076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735924307368581 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359281788394698 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359283859902613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359260962742984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735923137617697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359262880930304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359248429071775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359240003811052 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359269569850558 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359247653696352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359263656115173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359289924967766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359242205931136 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735925004305769 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359295063485855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359320924354693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359284544867415 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359277778895987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359268057230942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359286899176973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359319216250046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359284397213628 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359275128933524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359313321551215 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359274337419897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359323118204617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359279834556632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735928396849106 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359256888692928 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359295812852382 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359273391172275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735926930573389 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735922953511158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359223843364072 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359223726051945 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359229222762151 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359215288276858 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735921442336415 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359261079397473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735926361421304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359242284345078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735924887617337 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359270555266096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359234782551194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359258840167877 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735926967933811 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359248206751293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359294393725402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359274456096466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359248509408376 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735927417223301 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735928029530661 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359312729040582 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359249700660748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359267439357562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359284305802727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359292464143397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359270109269354 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359322751725492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359304493447855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359297567036103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735928401214425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735930227655227 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735927100744505 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735929597268172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735928225535261 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359297170990554 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735929624253117 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359311356629134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359324417032818 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359320062575156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359277295313616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359349948157418 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735926357648202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359323127797652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359331397498032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359323818612996 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735933677746828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359316136153216 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173593322098096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359325382660867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359288494956956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359311182577428 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359343648366807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735932928629249 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359333008747974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359361349255162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359338015448844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359337877354702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359333045482628 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359332841055547 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359360660240697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359363464720512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735937596791482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735937988477495 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359374344087602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359406742861908 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359359572304095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735937537481946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735936747481532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359359900648114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735935565065282 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359381906894336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359365627073378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359410297481778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359376602073578 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735938994553941 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735940114252153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359417697406826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359387557110473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735939933629957 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359405669252284 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359442916266263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359432172074338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735942275185901 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359404260324338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359438114537398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735943020186109 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359396487793363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359449437172994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359365851118233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735943939143488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359424689926076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359455276181687 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359448252679868 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359415488357796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359394096492606 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359443288411022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359422858900048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735947820912853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359415522527258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735943356861857 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735944240030849 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359477583135807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359455744541383 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359499984862276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359486464479681 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735947783154247 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359511489990692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359490743113032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359503994046865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735950144815311 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735948124168717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359504781388724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359503592410544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735949959420095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359525153020222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359479861494215 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173595119291632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173595086700486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359492681070737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359467797904224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359518705229754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735950303562413 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359547040731269 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735951735210741 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359501206694022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359504643454937 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735955229864586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359568863167163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735946278149952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359598382334068 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359521153414806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359529049613504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359557676432977 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359571239597435 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359570175540728 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359533339848104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359589496493286 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359591786441875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359593682982205 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359592017167402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359595108405537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735961212883164 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359591372079108 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359607618945538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359597138644786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359601926843168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735962562611249 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359591807383898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359619627713094 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359627389701696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359633825421708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359607791649115 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735957079158301 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359623125694768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735960547570336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359625978759372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359640994988396 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359587712981325 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359617419189902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359621545160642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735959512225373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359565131859436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735963363845928 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359664739974967 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735960003396639 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359574650760917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359590113055567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359606419947016 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359567030794223 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359569563084867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359572320743052 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359591496378204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359613772871627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173595936471242 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359565833362942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359629085924985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735955825414516 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735959325514022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359617450130246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359612869773872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359626296027783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359577825269856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359585015825255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359644983995193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735962990639549 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359594428379369 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735964178521309 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359607902508845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359653743720596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735959587081392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359635964076722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359644275230462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359612469903324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359638249881737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735964380577459 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359679151004986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359593893429057 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173596588234939 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735965854091792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359692224288764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173596903973254 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359680818697779 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735966805525208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359673482147753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359628127104015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735964786525978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735966110261165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735968137089504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359726566489447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359698222254188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735967678650519 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359685041402306 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359725895074565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359698883016703 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359738561517774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359734897721044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359716731477012 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359742655210567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359729364869056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735974939231989 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359740752569475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359754614900205 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359771862469792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735971830996994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173597268898007 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359773602572987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359779322106272 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359816497259425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735976843498082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735975237950964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359737142971154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359788403653045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735975285406735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735975963617801 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359836419854155 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735978491903626 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359711421598384 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359814248087674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359768152172472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359777707073262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173597661708265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359772718631994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359817983494244 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359784612982646 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359772879573368 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359826809642903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359780294513077 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359827682408266 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735980921406016 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359799251349178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735980291164115 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359791992088033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735983577975309 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359793861905873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359801254140703 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359801983523243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359793179998537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735980810529202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735974678110661 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359832372710235 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735985078105338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359813225702658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359825756924255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359794666249723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359778152573027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735977823369517 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735980574150275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735985734849229 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735984064183144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359833981227604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359819596507764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735981489772124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359850801171856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359834711222064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359867773678306 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359860082917591 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359882059129075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359841433998202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359838145781037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735985412775842 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359848424784544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359850839146973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359858540556689 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735986381543172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735987486003076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359878457800054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359888392544326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359870179217654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359874053120075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735984143132038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735988512840417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735988035785838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735988276780709 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359899068636062 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359883265510845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359892910756267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735994625896577 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359935438275792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359935709493457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359903761278983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735990881312075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173599132255737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735992479904623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359933072068642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735992048980695 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735988087095946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359888273856056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359950784268727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735993423959333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359971685927342 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173599034137535 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735987943038295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359902816921213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359894666731554 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359897118565484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359977465466075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359921256453353 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359938696140426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359929411054476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359884963838332 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359863334070672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359884633725128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359916847849574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735994972310483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359937625177363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359960258535545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735992928912165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359935625561476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359995753423374 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735992927589965 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735996630462711 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359976673991542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359951069015755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359989901788778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359981039457564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359973684889596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359996717605286 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359941854639754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360042974904563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360091312127635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736002163523624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360024405136187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359990245757403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360014236817864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360003532176294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360035018952755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17359969136771067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1735997077900441 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360058256487157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360030971389898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360036581153832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736000447050692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360054757091334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360063579636223 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360074403122466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360046049761266 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360094620570518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360089491340566 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736004966858322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360041644078325 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360056171424199 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360085935486347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736004950256462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360061555749168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736006448085033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173600700485955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360013210769473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360088055279407 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736011394094827 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360072250990405 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360064957988428 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360063638779905 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360059892597465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360105784253735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360066833993687 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736013437354212 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360095923370444 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360108002588964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360129743384467 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736012643015361 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360161748637962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360104048654781 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360181707430067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360131978027013 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360143607676487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360116262165345 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360107698657767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360122999419567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360168069683696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360100935793082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360129572254757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360167421189907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360183662245238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736018611226906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360193666377788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360173215209984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360227622236876 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360171130982438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360125341044078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360163275014856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360140226749146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360153160044514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360096870439715 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360144433266653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360108885331485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360186659132013 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736014127792313 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360131165590773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360161582500178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360189395739414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360132156383823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360201854344634 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360180303668551 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360180645388001 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360211448514984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360218688772003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736021527364975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360161547778502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360136942427737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736014066654017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360209438392563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360213524410445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360218387924167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736016416730583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360218212030154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736022862937694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173601949369337 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736019375059673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360178349954392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360224726405651 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360199473985397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173601968710692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360196393025243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360201200895964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360180915045756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360216588132263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360222027502484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360224212444375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736023820847305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360220854375544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360232267897557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360277426641263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360232631445605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173602780459538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736022792235626 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360256215463532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360266036752856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360218776081163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360268014164104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360271225239104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360261085896528 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360288912349467 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173603064113909 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736025978420883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360285377730422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736031060334954 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360321292828357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360286933319147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736028614006979 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360262567874007 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736028183912842 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360293831954185 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736026598577458 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360275798134553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360274578843887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360313812253556 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736029032669294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360273877114607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360278093252576 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736026030965538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360312731829777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736032970997375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360292694756826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736029371197849 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360297356594243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736031668788224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736030879611095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736030002532759 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360336068299784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360323438520822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736033138872126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736033552787225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360319391939041 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360351434898427 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360391310290263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736036837180785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360322329059916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360339894390522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360324426506632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736037307605489 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360385246095553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360396579022022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736039069774972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360367099583415 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360421897078726 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360389434734827 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360377843611433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736042551259666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360428690136057 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360400542718918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360402237610534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360439017611948 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736042966753813 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360403393313875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360419882251035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360421121694186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360470590351104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360409595524198 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360424595037163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360431961972736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736045674419297 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360427628490283 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360471395861515 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736041552595675 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736045463685077 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736043503947829 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736045751718103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360482200787442 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360495655386687 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360432324417005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360474428829709 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360523350486412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360495194414474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360508805478322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360518584485982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736050333952243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360531419697875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360562958368284 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360516064093898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360590327228978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360516143512664 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360518429349997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173605142888132 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360540694907384 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360579846499127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360547089838407 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360528911248982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360549295146238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360569473842122 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360524605158906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360567928978116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736055486347982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360543620012522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360631959783146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360575903017156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360565338625172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360574216568472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360579380446134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360596719267568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360585285736652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173605604602411 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360540719172818 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360581118484023 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360593153946222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360593432987162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360576252991577 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360564778387358 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360598532468466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360589844948035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360587333290753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360626062926798 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360609562434043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736059664711034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736062071743695 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360570703325456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360583701460347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360620379440428 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736060339311903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736064656968589 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736064917307064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736061702408482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360656367472047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736063910458844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736061775501626 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360614406450842 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736062725330595 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736070390445402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360647818578606 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360639111015794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360666334618924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360708614072107 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360668308860006 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360656618653778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736067777672557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360638950910168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360717457989708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360756188349957 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360711206552368 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360761900842137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360658231106627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360733942821735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736068009289816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360685161997774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360707425321129 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360711940118473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360689630634366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736074934825109 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736076093569912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173607170812696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360700955832575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360726235906826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736072247169034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360758091992567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736078351695926 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736073056411 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360778532420368 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360792337212586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360814768172625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360819016509954 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360760750463186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736071741587438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360781439909875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360762855748904 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360761360321905 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360798620178527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360788782754555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360773240833366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360789903782003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360801452326877 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736078178794481 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360736446555186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736074764005739 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360790247751778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360769956698596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360830385392456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360767978199781 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360802815250154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360842391743433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736080362878112 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736081470376782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360829668205022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736078489361041 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736079915442506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360820159212378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736082460915055 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360845654001988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360821371084217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736078829789034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360855910499864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360811486855035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736084231053853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360845518272697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360879579892477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360825135126481 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360882991407897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173608960901257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360845567493804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360801668264975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360851527131355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360867336008767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360868387927567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360857102405006 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360846433523877 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360839567694047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360854219677893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360872782124767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360883337910638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736088560963894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360843283526645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360854634145548 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360836112719286 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736087045760684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360888670540242 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360870758327873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360846561402607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360851433615565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360840125774893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360848462189832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360872293509216 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360881154499608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736092422225792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360886259230152 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360886697559877 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360915559869142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360910592670148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360898370422298 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360871997543206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360877364102836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360889039756133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736089238011426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360891975714685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360898809432157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360889741994512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360895210730481 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360894550932132 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360934113348034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736090973683397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360953417162922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360978616189793 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736093867103803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360917732965084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360975745956023 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361009357892565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360991331913087 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360965067660322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360944981333223 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360940737493574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360958884158564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360975882772312 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173609454739646 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736095031047623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360976396525218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360955029008263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360934558966082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736092290868429 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360953395250966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360919874086297 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361014764531335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360943575020493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361031872999236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361000779432545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361003256274787 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736104373208911 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361018713323756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361029295779823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17360989937630344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361046493379553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736106837710614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361031209028394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361033064854395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361041541448927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361021696410867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361090378267302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736103805204769 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361010961570056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736104523525679 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361047845980088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736105764342561 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361086592466662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173610697757098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361052699230803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361045217566462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361057193375315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361063454733344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361034665692035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361051471760092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361074289227502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361068724226952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736106048195886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361094137435634 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736109992186471 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361097889057334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361060605021897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361078785690676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361121512932248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361093452922635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361123238410084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361105014798062 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361115596351542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736109922483608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736108938209852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736110124218082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736113589177278 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361126093540669 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736109436591072 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361112997849834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736110341715893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361101126241135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361129452507693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361139834018716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736115881854621 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361096271297288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361088649859674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361165267703618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361164587922365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361143537859525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361161433737896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361173183311437 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361147248124004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736113420730465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361171424552815 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736116302235257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361157213241557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361175857284505 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361149140107016 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361143195808293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361185178432958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361163317904935 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736123148016676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361205482305175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361208907005554 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736117972909958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361212799023507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361170890749245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361283080893455 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361173712640293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361214027388383 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361254498043535 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361255641079779 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361210651327882 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361205244601832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361226932328822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361225808922942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361211689663272 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736122346251305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361199775232794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361211154280157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361221512731825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361190461555714 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736121536073155 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361210192384605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361234120673202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361208596268246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361249837777545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361220644536404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361228694535175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361273673711144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736122390700106 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361233173858873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736127285615408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361257040490172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736127357466346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361241243206324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361271003082912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736128501695494 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361277534259306 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361262921336765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736132799988736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361248370632285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361327675053295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361260403123882 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361256504883263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361258187369522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361245217615123 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736124144839685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736127812524573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736130967471898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736126514600999 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361306186209755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361289470751146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361256620661408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361289366506616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361314049476556 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361356284094917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361295791351464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361316274502187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361309045548726 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361289228503407 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361344174905527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361323229917347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736132487572228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736130833965011 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736130984685028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736130016258448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361306874114812 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361312875378593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173612956280475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736127120191851 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361282135358452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361323221257566 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361289810351044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736131136923808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361301202017423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736131915903773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173613098938758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361287929826916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361271142007778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361285127580978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361219142965137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736125583921439 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736126588195707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361267351982654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736131925606364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736127093433514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736123599495035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173612527557943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361243591222253 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361273565069288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361275947549432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736129472914485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361309327195706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361314789479676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736131999581592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173613583470003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736128652753746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361318671135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361292166290748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361317952250782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736126997139942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361322913700075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361283200445787 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361319667277803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361294540592703 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361298383888482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361293392732885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736134941356389 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361305772772048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361331326421645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361357216870896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361311992173323 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361314725164417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361290151196754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361322854436798 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361370122693423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361391815249205 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736139273555273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361397269959283 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361369425682766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361343377913938 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361431255192342 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736139672535306 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361435070201597 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361419736025754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361426265569596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361438936036422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361415336668323 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361403357212118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736138867041549 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361373835303498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361393623771496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361451270480033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361391203060128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361389562550283 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361384906398797 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361370517483257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736135848350768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361400961903317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736138172460844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361401340776578 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736143419971763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361418583860513 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361425587277873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736144291614962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173614490467975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736144268684468 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361451135874628 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361448309730843 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361488306767162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361471332222025 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361459610135496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361482525517477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736148580443045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361478720649018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361506988318104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361505575313022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361502588734043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361525051524507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361548784226566 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736150137456972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361544384369038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361542227383445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361498299148215 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736156605537394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736156527005429 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361546555227736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361542117827777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361564008904018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361575737145432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361530180303647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361508823075672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736158672156782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361563165284347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736157330346246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736155138001809 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361560027788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361565288275038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361545079026816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361587034297807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736159598460558 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361566011679677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361581833022705 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361566798621622 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361585763728957 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173616251574062 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361574201609598 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361655258714365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361567433065656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361619063093534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361621594911716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361609279486162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361610466822977 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361594288105253 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361591411364893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361583304725892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361606616762856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361574885189665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361615942275574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736162615524562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361624463657624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361621535134728 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361634036277804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736161705192499 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736157360107402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736167347922597 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361606466035767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361660028155335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361649893656614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361674054475856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736171060082529 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736164266383839 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361702038790383 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361663870468882 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361647095341096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361682424195826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361642026631516 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361716217814444 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736169815481082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361669797228738 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361640050477287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361679005930714 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361662017750182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361689212484738 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361697660269948 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361766111406413 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361705001806343 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361729878479534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361702645433602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361695758579365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361732224015144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361696048438927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736173903268413 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736169017315943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736171516302347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361725725049126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361667336216174 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736172693459375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361714111616955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361676123196754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361726456787072 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361693269986264 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736166943512854 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361679625070053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361724483568186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361691604236923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173616708378714 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361675120350192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361744007154742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361755006724947 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361731480763443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361676381338792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736173030701786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736170322048674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361660906326631 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361724009379523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361708501907847 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361717615241679 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361689191344878 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361699278140302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361756896944955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361721649730522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361724323293456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361682138309226 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361700820945147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361724039379078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361749346801236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361748422351012 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361783910603396 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361804284175722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361764789891276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361751606364545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361797951299562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361747444748987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736169337944108 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361743453800835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361793808404807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736177028372088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736173840601002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736175446122042 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361817135613006 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361777981419926 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736178536645389 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361760363370196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736175127417248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361796833824486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361792155012765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361768288303298 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736178170114985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736180159102222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736174528066998 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361772588964236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361801193754414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361797755878153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361770066402246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361829891045558 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361819709865708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361789429703336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361792854463287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173617916966457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361836882903378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361804753504295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736182562543426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361849554306968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361857389624918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361820641053016 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361879171846686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736185264092801 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736182697863548 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361790438489416 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736184428475735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361820117454083 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361843189477819 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361856024977423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361860684312727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361907556686196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736186817880841 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736185110841496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361851109491847 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736188927682207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736185188647214 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361892865328007 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173618532709819 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361858262575777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361872158358227 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736188274991356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361894807342748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361888381941268 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361879273925743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736185901929715 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361847364954833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361871937738138 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736188403465352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361884571739336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361916023520385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361838298979027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361880179064668 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736190304565638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736189585693632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173618832920511 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736185759855282 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361934895042805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736186779935795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361902592896067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361925191704852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361893991233837 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361878515386323 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361868382667292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736186692538862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361895233692487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361892860617442 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361909196589845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173619002547941 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736190028596981 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361918207087257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361920518217358 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361937516361506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361911667262223 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361943728795645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361909382119153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361927755962542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736189798793011 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361929736043338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361921887634513 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361950349540878 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361888099459907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361914214931667 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361937700225183 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361926580303774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361902399723605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361965609221355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361951764707145 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361939056023432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361922031716517 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361962229376318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361968453887947 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361934820399694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361971348817776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361961283000482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17361939156225173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362011125231366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736199132872304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362007873712476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736203669655667 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736202278105796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736203006414816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736204008287373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736201104474961 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362042721313334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736206351895573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362043007751204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362031004463882 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362048923771717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362077943224133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173620606968524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362040760277486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362039924971723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736210932555841 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736211955698602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362095471181402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736209379077209 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362096734710106 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736209465598345 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736209487187146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362106742707872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362069704818942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362085170119945 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736207681088826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362033131013827 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736211201973988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362136441180762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362162022525257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362117572674762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173620592724843 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736211503637522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736212994854141 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362118542220029 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362159025786833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362164601452934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736210252343393 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736216582539505 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362104583121474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736219038475786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736220742312931 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736216814116347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362172735096468 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362184271102252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362195478796824 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362144473746566 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362156265738254 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362133443648636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362167702675538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173621571697073 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362139759750914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362210274646084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736218010531374 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736219345727714 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362180455918252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362144835938495 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362200093789015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736217709385573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362187559073045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362187019096795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362187722665812 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736219051426634 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362188685576002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362182438254642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362197981963218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736222975088308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736222088368155 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362224108124605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362199175819032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362181005904226 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362175672792834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362227066216823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736218447273426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736220156056008 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362181102871993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362212574238936 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362215061539 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362205107890616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362209628739636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362171648343958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362215144107662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362211786459028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362190499384456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362207669816457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362258555495538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362250337112908 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736223795669778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736223102806585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736219861989888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362232854146556 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736224059925172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362281818940714 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362239453963396 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362307922147746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362270502665464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362268026775302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362257975536946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736225944612947 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362299287696867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362240925383407 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362204151451976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362251022387884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362267508077311 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362262509686377 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736225111872873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736231197663288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362297668817875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362284816200105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362279092280608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362299543544296 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736232374392285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736231544767967 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736228788239866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362264614216846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362303252241562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736228277514159 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736229254503605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362318760918294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362319559726574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362290670074787 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362315017096291 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362265073004596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736239098747906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362314546233684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362289286047203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362330905080178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362330980974186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362379388419635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362383065669149 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736234760856059 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362353118795704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362334546677835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736233264674565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362310114124013 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736235166372896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362392545284963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362397738294005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736237343032211 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736235120821919 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362373439340054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362392165118504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362384201483844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362384029814248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362386667410856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362375337956076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736238844781308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362426707261952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736239068656584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362394092707953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362344703301524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362354037017025 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362355165184115 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362386434851027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362396494701196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362392814018981 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736242750552111 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362448690780533 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736242443655276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362436223272448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173623292655211 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736237862028313 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362425730696648 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362416317902815 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362390836030245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362453289819194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362415170531154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362411798283006 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362382745733654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362434909366797 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362403028364692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362388907014406 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362424660653106 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362432819579987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362397535385757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362409562355066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362393771790963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362432429282001 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736241484632646 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736240597523091 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362439776611535 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362420194916883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362371774962804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362397093154033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362384981099918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736241697566543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736242324045858 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362445522618505 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736240559022405 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362420219778446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362459804168365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362415369371403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362434105933203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362455048401151 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362486760462353 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362474502847658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736246119914421 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362494059510644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362476068672236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362461539277296 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362489561700836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362498604898274 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362465052572348 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362509884073238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362537480083692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362478001734305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362474598240094 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362527834293026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362513966340912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736249284032115 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362498124345252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362538072628425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362503787690467 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362536000913387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362484919781823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736253709455156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362565379591308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362539211338734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362598728118855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173625548426483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362569233981373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736258267744452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362548299668712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173625683683469 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362593990369593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736259325171105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362577850639238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362567205548515 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362557418524546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736263538076774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362615494395295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736262952762929 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362613469190585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362624461011852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362626636489092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362612916216233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362627085762472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362599581022908 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362663941229017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362624998372464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362629365039797 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736261619486897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362624895026968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736262227436605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736264807259941 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362598360024403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362561841564805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362591934499122 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362585708979902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362666665453705 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362623073034614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362656595998305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362651739433332 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736264855950949 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362685355771712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736267138047508 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362665870624228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362647159584493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362644822866458 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362673512424595 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362691149136328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173626897173003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736269486868317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736268958138669 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362709587692518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362744416866893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736274463987061 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362700486353222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362730388662925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736271838225363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362714568622525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362736537341733 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362748547729281 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362732090925767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362723615695222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362719625584302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736270766910984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736270823728604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362687594988763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362704130823517 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362724865460144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362734873419072 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736276267192754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362746303074092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362721967644135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362712835975186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362709316883193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736275259437153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362762834273618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736278010492223 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362742708352052 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736276553437851 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362764575494685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362778710250806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362784792831473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362800988946445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736277310260043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362786367696698 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362774456756358 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362808885284717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362809786939962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362808483537756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362846692063333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362883472041618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362822125283445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362864037937759 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362901310881224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362892826475546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736286317037959 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362931423287115 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362938574842918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362875287048513 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362941276480987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362941676123397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362924168829874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362942447271437 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362938921837928 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362929041525557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362912335860456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362917261659733 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362923958809257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736295283567746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362961380189137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362914717829692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362904925291234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362881303197925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362967394412895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362976950654177 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736290804942968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362916570766435 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736291084674733 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736295012734408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736297046636643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362976990920687 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362937540020656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362946260476186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736299205468675 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362972491743917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363029587069267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363010784986221 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363047067763995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363017482062437 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736297471032534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362968923387376 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363011048751636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736301924770551 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736298043829404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736300173171597 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363010490554986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363041778414984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363029952040676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363024188429607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363042869890427 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363026766297018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363003652774622 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362992537152197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362949905818728 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363034260735702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736303494195332 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736301442149012 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363014495581844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363001304667408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736296547806193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736298010560326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736298230566017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363001276689066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736297913684609 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362964741580392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362969881051055 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362983177558267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362988503366833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362964284118299 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362956618125136 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736300532967782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362973884250285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736297892920317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363020811033864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362991448537643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362986563067562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362993144859268 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17362958648374271 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363009816731706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363028220509927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736301938575181 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363040986531347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736305191565383 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736303670443235 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736302280939453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363087788642156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736304294905341 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363087193825474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363112439504735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363113749255768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736306402406405 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363074235423429 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363147722986885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363105544608023 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736310012289856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363106369874334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736312564422204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363097573895692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363135392409146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363117679143425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736313296395657 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736315516113555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736315879904237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363131174097124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363153951214227 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363150665003826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363155002959624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736314171273371 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363158124680023 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736317540350818 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363205654232786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363172709477237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363186481613196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363227751038596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363192832062924 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363152162295306 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363201592129504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736315390208883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363142840916954 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173631846945788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736313429836488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363176262596164 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363202457984317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363201732155817 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363176156183893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363170243737835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736321174653034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736324813555073 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736321227199115 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363161193120352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363183034223634 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363187165075805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363181348568607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736319373395933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363174334299064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363178708880403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363140901364862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363179566184378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363179730155712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363161992140466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736312614514891 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363142428246076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736313993919527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736313728866211 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363225056627316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363190963381053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363189746460597 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363168307105406 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363192021404278 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736314915713974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363157941166976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363192401600352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363224892587617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363175141825443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736324587272324 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736320810718314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363228457562335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363209541522553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363190462328104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363227368120696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736328576238066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363279408646995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363255959848312 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363214107453778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363215677702573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173632310964026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363227721098157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363226845695157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363256566168758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363230965976242 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363277199383217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363316239378296 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363262819887776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363296882361204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363275725768276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363286375527653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363249692515142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363272173820826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363285623387423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363320456431416 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363284797015088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363285100684142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363289076996033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363336690525968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363312386765048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363317760669525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363329653417192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363370034623124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363317163064776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363287711781492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736329929895828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363293864193563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736334117338243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363352032709384 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736335054251568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363354713255522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363365524932398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363364751590882 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363420153361844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363397736952332 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363397231518463 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363377210933237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363422764344302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363397202514164 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363425734437093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363426496533724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363430323969925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363403069517747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736340724845855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363433557673671 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363399205082336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363425421299258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363410285607825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363370986890844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363375839024395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736343400162181 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363443511041463 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736337904623591 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363423933592706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363474952167005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363432966812886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736345027502502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363447113577643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363453140575832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736343527765866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363392137589936 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363431808054022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363403555565193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363407755443733 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736337698307746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363423912549503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363414545111783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363396519689 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736341515558565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173634224059699 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363385807907017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363412448809676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736347063964344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363425956682363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363430729888693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363421185630348 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363462303100147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363473448319905 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363446015109657 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363463552925001 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363502104317105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363501253587318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363459428086217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363488904625857 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736347315557144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363472466934748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363483731450943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736345782171146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363467366114393 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363510520412417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363464634662865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363477298294536 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363499449174072 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363518243386605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736353370843927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736348996455379 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363501276862986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173634750440923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736346349614795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363483879516783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736350808228399 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363572535276106 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363539688033303 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736351882765753 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363567694463833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363514974686853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363493743146902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363488344554326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736347174286869 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173635025139874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363516692717523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363531803579865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736352192807627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363511622637512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363510565074167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363531136039478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736351907751133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363576465284739 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363541920323736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363573883955166 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363536918067923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363558168285206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363540575311084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363530516462916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363555000021866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736357203428053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363586717814813 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736353436546484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363561086824295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736355955494741 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173635673567925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363536293149534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363545404133546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363513553583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363529662536287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363540005197542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363499619346848 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363560854357038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736357261771162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736358962888906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736358188981087 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363604877001332 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363582847653333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736359805989359 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736357350078689 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363609567983043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363587008306378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363619319554527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363594113554306 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363648690756953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363614141844524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736359101933339 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363623000571454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363621631045287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363617965760098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363646314678483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363661282120893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363639366351297 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736364221381024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736368946477018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736366594696577 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363626930778261 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363660436968767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363661829587757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173636311326096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363651348667195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363645110046685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363637615300279 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736365993182075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363653102285714 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363635208861378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736367131427884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363641117546383 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363595070029036 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363637063638018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363648655384248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363661083963827 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736365746340702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363669370035426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736366934825214 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363659660138656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736363246405705 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736366639765507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736365413738986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363690184026428 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736365025310273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363653021923497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736366167160586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363710510835623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363683553545126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363689041047478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736366580850224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363628726212077 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363695349670152 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363664468188555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363675964462563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736368250715109 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363694571545493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363689466619758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363675004377496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363697686094312 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363686963126995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736371145842056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363698731565533 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363713215837479 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363689221790163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736370949058219 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363684278996144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363703813824058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363720775029023 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736372494284498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363681635065548 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363674922762323 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363716258397854 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363726563598977 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363727197693196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363743269457044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736373480426563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363746325417376 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363756487054302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363752645649835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363766439659095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363731024610488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363726777350438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736376756828833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736377324940624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363746256479431 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363769514020103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363764728224304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363775637902146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736382872977591 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736377366683556 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363789410010125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363807406158932 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363814299160002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363830951779743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363848902239665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363847711770067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363820755620618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363833565657005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736380230063225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363868311920364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363844799617564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363850447160387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363878541016023 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363870572364803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363896123206857 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363878194287852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363831546038785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363889356992826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363872636173824 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363858047051828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363854845769633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363857424259763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736388115955852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363845671312975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363879547957528 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363869988541555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736387891135804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736390977410071 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736388308562774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363916668972543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363841489603013 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736388783838979 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363899818918188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363888164152627 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363930236475816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363912254583402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363888192448879 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736390446171496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736386794334921 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736389267505039 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363906981079397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363939892867322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363935017244228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736391850467451 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363940160689284 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363898965800878 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363931268707314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736395791134865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736395749649101 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363938478421814 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363898070416697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736390556432693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363866915109322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363902751957663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736393219721578 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363919613215476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736391111404903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363929737482656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363921697718218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736393950421028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363914684276213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363960107122356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363927308349836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736395122379775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736393672318845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363976839323647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363967445392545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363960335918546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363973107111072 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363957482962977 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736394546313931 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736395234460651 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363990374546417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363948974994167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363960424699776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363993858241256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17363954893216269 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364016287074108 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736397027521529 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736398746172534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364058922896342 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364012050220182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364061237601006 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364003501000275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364043500638632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364053792921963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364034379891655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364041457868717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173640265515767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364046656546325 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364037596867685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736406730485729 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736405373908605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364034684732796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364042473040148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736402531443271 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364048032716628 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736402290993064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364018233544135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364034473349588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736402532067471 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173640316801564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364030330180363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364003700456856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364043824831313 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364034599490996 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364039862995606 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364057240939776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364062837333252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364040971026354 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364070472673096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736406744607249 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736407993856503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364073959870344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364087501703265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364057479739026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364081754204114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736407204375736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364041721650103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364081163215692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364084271706615 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364066079048004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364085465952278 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173640649795308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364091147223487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736409442357832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364091860035752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364054283910169 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364115071039185 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364130863682142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364111647928593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364112481142052 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364129892350483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364119361416697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364067398923733 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364063576858169 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364130136745878 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736410172608209 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364101721539862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364152167248198 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364138208636246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736414090923201 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364109484986187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364113831477127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364172313594278 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364181455992198 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364154927198788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364150647472767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364147166322724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364128806846704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364180490187425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736416863701678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736415006792503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736415427911147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364188315282375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364218627214742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364205591911674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736419667685062 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364147794728996 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364175556676026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364191540649698 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736417839070214 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364147232050783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364173833461802 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364173903799895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364150281480353 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736419270257464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173641773324125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736420288090119 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736417248956409 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364168082937334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364176860825462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736416923320037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736422096711538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364197715517263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364181352927016 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364178368641978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736420666162542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736421096412209 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364249264868672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364240728768238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364238164168955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736421568155795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364243467884694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364252010462594 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364260841900558 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364246204239212 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173642230704937 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364293743322307 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364277434286968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364302911035873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364273550228898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736423391460612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736429350585506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736428509871292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364241917291337 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736427827805892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364261042375428 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364267576922648 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364259877118457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736430171953196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736427702055373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364305562231522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364279704399804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364234783149837 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736429568412572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364264861250653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364282052594968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364282218928262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364287249035254 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364327013602257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364287072810963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736432689804125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364326804786784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364319245368554 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364298131946537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364340118684735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364357396379568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364335094752517 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736428776770799 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736433621185874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364360899906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364360154430872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364398054730765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364385961006457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364355502866735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364386061686812 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364371004198081 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364360189977676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364338703068413 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364387142566337 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364389901855293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364373431606192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364353930637755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364352151023119 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364398797408057 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173643409914472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364389668839564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736442556594494 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364371549294133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364402441773472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364440801940736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736440357631278 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736442697630237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364402246879715 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364409621690508 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364422287273457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736442063454157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364429719436586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364395890881773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364436222792506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173644021248227 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364398719829816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364411282463438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364392202336956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364434083548935 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364406408640248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364434726538205 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364430916581747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364448599709126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364452843042588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736443212930562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364428655985334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364460231568654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736445337448659 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364477333711517 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364458402157795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364475786283048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364445170473602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364484663494492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364433642475857 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364470713643568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736444495377124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736445490788866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736440425594316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364439239361176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364476926122496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364456121459979 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364448642209918 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364483867227212 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364453189051743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364489386739992 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736450237141217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173644901297825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364531353811005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364503081021834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173644959873998 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364474904506488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736447139834889 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364497315622712 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364517669720808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364496062675394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364518588955613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736450218600538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364506029166718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364508124734174 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736451790501795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736452516406267 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736453548867102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736453435834586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736452978345124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364562645017378 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364556001714979 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364579223898163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364512915892438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364506746185082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364523142571944 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736457872549633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364530284053767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364567622725866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364574344423134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364578154718505 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364538764151174 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364524111002388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364542500902233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364548844434907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364544004606655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364572183199453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364617035805344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364609251154234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364527197865998 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364577111743987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364586050849717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364594640413902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364575904139723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364612760314888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364594875733302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736463572487756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364589973290448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364615275844858 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364635900641134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364589143561177 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736462729192856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736461111566054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364591913031002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364658550384168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364637108030773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364622889741588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364609688942081 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736463249169883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736463355945278 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364655635221543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364607702090218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364638034146934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364651794617791 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364677771225345 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364665415043914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364645993040545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364625988083718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364680595905432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364709908677867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364636459835717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364700148643245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364688616857962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364711260061858 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364708792346262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364739693086295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364701145499212 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364691405929955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364681510976776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736469385419459 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173647115130065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364723081769373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364728954587358 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364730433535402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364691042810204 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364715877735082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736467560693466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736475256650656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364739054775202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364732870866612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736469516711552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364701969201274 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364750272969476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364738950203668 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736474448363044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364740590203054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364754666939902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364806826548906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364796276456024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364817959643025 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364762089110164 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736476053119725 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364757009353882 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364792136769078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364797242127453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364737682410702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364753046674855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364800660402116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364771576690993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364806087593518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364899393524613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364823689612216 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736483535151643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364802234255686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736481263147459 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364809501943185 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364845499613413 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364835234929846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364841705022355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364855492988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736486735390409 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364857328181196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364818722605166 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364857766115693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364872227522696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364884684181492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364905906882133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364897981378824 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364895458564758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364891432876464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364888805669015 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736488292801481 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736488829840991 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364858899619007 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364860587134498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364888146092802 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364846267124168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364844768361934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173648851170658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364875076464972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364868907888079 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173648809052131 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364884435183484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364903179619126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736487074627636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364860962486542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364895247237488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364881155681092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364927857247314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364902837332413 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736491530126678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364945664935696 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736486389247588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364866574871676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736491722943043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736491323385432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364870886115602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364893441624202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364911431994548 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364923705147664 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364896739056906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364923769356946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364918148863356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364864346177994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364930518554977 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364913884391814 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736491513088443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364909676670293 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364893018103555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364871944263258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364917986608633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364913050813502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364894189902194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364906882283834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364836864393113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736491836881011 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736494241803449 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364898100556958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364940497827658 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364914458359734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364904762346253 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736494028536843 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364951114537122 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736495714717805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364922093544843 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364941109850277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364903590212571 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364922165396543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364930620239666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364934758181044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364892185058875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364895163271055 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364894106247972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173649467989229 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736491622296572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364966391832742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364915609574966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736489841403844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364898776204035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736488588698132 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364925354367064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364893401579087 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364900672211014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364933024138562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364963174166526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736496369667816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364937218490287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364929140998522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736492330416915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736493081292426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364948619783746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736496859609912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364971572994506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736494412655728 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364947297157113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364960276713048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364981178169525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364972043407512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736496290812501 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364947186920876 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736494740068498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364985538126435 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364977969028406 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736494243671749 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736497450876976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364995705963143 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736497394706357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364995462328048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736502900883704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365000120251192 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736498623350956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365023494762014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365036268306433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17364980624607676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365015303919276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736504344406211 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365068758611035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365122388936838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736509908954233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365066463550205 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173651208510027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736512093745654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365101810477668 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736507362668208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365080097250452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365106377807119 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736509421369314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365122807670325 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365103813955243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365129747708027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365070651359032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365050954487377 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365069651858417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173650946259465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365095712067255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736505208405934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736506116523786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365105816386767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365060464235582 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736506790455147 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365119182896946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736510894194122 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173650970456775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365116181534473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736512693766223 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736510718774173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365135091976514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365173738471443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736517043772594 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365119714964164 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736517354316488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365162487711885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736515198808291 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736513733294202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736515184387438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173651833524727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365218959756057 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365186201472677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365203832508108 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365188080888977 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736519946819287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365239014745096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365211092092406 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365258915775694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365245787559508 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365234705504068 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365260380541664 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365236803300652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365263460899094 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736527540867448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365275218753673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365264935388217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173652762793104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736530312193137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365274854330912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365287967004575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365308087000902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365299204361254 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365270675037356 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173652664498469 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365304427983996 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736532777035637 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365329550646572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365356520510994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365313965368243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365285524346669 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736532063824514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736531457171901 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365319040711782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365291144192016 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365307277448222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736530453650461 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736533058318705 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365349896152144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365319961894668 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365329659878326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365312999802526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365320034492257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736531125919146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736531304851607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365337003522194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365311526704608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365323519060066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365322146017328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365427900884808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736534195733517 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736537668674796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736538408397387 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365374032121655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365374497983066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365369495358526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365362068856263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736538062609659 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365397979856878 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365356675630034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365363115802768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365366750061992 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365421584297103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365405326996533 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365393743574933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365436365556455 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365378904812934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365344483530346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736539602597012 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365393344182195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736537047791537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365421367733525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365436146828866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365384241726298 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365418959708392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365396466455404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736542561312822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365417589933543 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365408985911776 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365443958368385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365447151637542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365443746953643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736543182913621 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365446057620965 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365431566511486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365405481545773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365404005807775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365443751899315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365442659231795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365392769711388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365422837874112 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736541989039953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736542765237394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365414685301783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365414561050174 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365418822607498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365467468262272 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365428894019164 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365425519476538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365447866089068 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736549569015048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365486191167037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365470607626046 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365488774642593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736549160326093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365513907303803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736546551625166 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365459560922475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365514529781678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365497908485888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365516224180585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736548610705632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365512031391978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365509205187535 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736552468917974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736550531328878 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365514467466886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736550675664644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365519554568762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365510535443163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365537698095346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365559677492695 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365532051459884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365517287249757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736552905496596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365473541978416 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365496421434196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365529901401328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365508705018734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365544522356566 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736554682208955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365565849863274 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365526344617424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365588821218503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365551682611727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365548214046325 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365539576119135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365572431173873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365556540353133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365567964033132 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365539367586383 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736557437781221 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365581363766017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365552381072777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736556423283473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365607540474623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365566953612488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736559581781005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365612539643735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736563696494052 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365621803441778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736560661887019 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365594459185502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365565351408252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365617492754165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736558044708135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365645315815167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365642199696302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736558542582767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736559044969856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365653348838903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736563324109622 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365638890222038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365591056088567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173656199603465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365605125441785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365647801694806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736564643527297 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365673274868412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365629429770987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736558767127809 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365623188157486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365658574349244 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365659586581672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365661926280232 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365638879311757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736566526738737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365644660171864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365634917097533 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736567040074153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365640134624805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365612820873483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365634394907187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736569709164055 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365669790317897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736569322541619 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365649356038937 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365628606916114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365653174623633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736561684157465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736568851792456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365662404966922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365696135186334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365703630776194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365665478001185 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365704627966194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365705763590128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365748185324276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736575195836607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365729501231048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365687525099885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736572056449581 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736571541027602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173657015791613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365742309718232 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365727960036093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365734783818096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365771989920098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736575114405694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365769891078978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736577865645853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365757792164538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365742255752784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365794832911735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365759393814983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365794555864078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736580229764008 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736580846738824 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365800825779604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365784238462426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736576225225475 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365807018835053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365775349051119 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736577578992855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365871037755962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365798349277556 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736576334674388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365784893942618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365810105685045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365805682002228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365789843064305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365799554217182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736587950714487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736580196093897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736582209587329 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365860093535287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736586358675907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736587872728959 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736587449737188 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365883455554695 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365881775807732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365856136418056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365873400624857 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365894673120794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736589189732496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365929265901994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736588761244143 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736590266933676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365912992076118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365873639456228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736589488944468 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365917220918026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365957900436518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736597576352646 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736594257135399 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365960437107464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365949606058556 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365936268898574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736593694463166 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365976238585096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365914125247858 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365966724948115 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365979171278845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365927018476243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365962460979914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365965211268597 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736594207397902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736597226357339 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365927834238004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365968278364688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365933463348873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365987318353193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366012180646856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736595724182846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365958401223053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365940584616835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365956837058114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366021596869088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365970799504613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365978903092774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365971052625664 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365944438238715 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17365992416571085 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366048244677093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366037240211313 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366032785272248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366067887610473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736607635972118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366062814778205 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173660340344518 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366061868724839 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366043505718826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366053460310202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736606628185981 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736607822985728 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366087611354636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366095078504695 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736604749914553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366112671493286 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366078800065976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366109320734738 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366110950888852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366070932233663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366111392228156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366099938870244 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366106913205043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736612386185643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736609552273402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366101184844238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736614882858722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173661745837272 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366175219236815 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366185622879635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366108106073572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366108220960186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736612291589948 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366151364603888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366150630107108 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366166780796563 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366148692261285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366163561201794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173661157503103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366109350413295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366167505850078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366190920548233 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366185650324673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366157134076438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366206522084254 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366216278165902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736619118803427 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366193496333807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366213202254985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736625944821173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736625582050459 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366216453884734 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366255960272442 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366245206182185 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366240972561667 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366234119376162 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736627630352674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366237539871146 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366228639733164 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366219513777104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366233469256578 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366262149364994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366274879132504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736626475164492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366239646866755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366280620812133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366308860306742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366244753631638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736627595858217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736629597284931 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366295525473496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736629169610022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736628893057362 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736632393574722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366281141161388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366305569854965 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736626937738772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366337448615066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366316992743144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366311112920219 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366279539491797 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366298375079742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366317870651787 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173663180638104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736629136861421 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366288984629136 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736635639590892 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366322081164481 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366305162980647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366308731872832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736632948796498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366349090980585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366374441825333 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736634148258435 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366348255703495 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366291437438727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366369856823774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366346151898643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173663257007102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173663901413995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736637511127039 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736635216667974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366352620779385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173663605769457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736639410109131 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366411298732898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366374083845054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736637274666422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366395073916882 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366339797937252 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366377996522828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366394518882644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736635293001499 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366367886634143 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736639841789465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366434826589588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366419191568022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366423446034063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366394502801027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366440136222952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366458430713044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736644068398936 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366391254901617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366438903091905 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736642257761363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736643952856283 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366491401424053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736643541761095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366406486200534 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736640639835219 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173664390415707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366431944576846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736646842855832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736642385480379 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736644047874498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366443910706328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736648828955515 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366455642223594 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366441255228585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366466589790755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736644806143823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366455539776238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366441100341848 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366474256425157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366439537609604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366442815224775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366475550728763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366480108768487 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366489220059633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366467408445643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366494838623456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366442664783205 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366433283597463 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366455797870273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366541057680318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366499661688625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366498232913283 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736648395516842 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366523815266185 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366560404260134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366453250007607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736651320180088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736649190613355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736647405839661 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736650670246571 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366522420093405 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366473883312256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736652948527912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736650528398656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366498272499573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366550257781954 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366505242370608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366548342590762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366522799027512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366537568787424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366580048033078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366572232176783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366540243648823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366563055031245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736651372716109 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366549500215492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366533124482397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366539852092833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366583804581184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366537254058032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366544956517982 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366542812074828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366550832493083 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366531884720846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736654268967886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173665982182101 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366555630069697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366570257262626 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736654664364847 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366573585263287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366579901821796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366601065142642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366604491391258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736662323199078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366616146793662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736658208114363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366651330700672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366625073957104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736667660981327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366673146040656 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366673369512742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366658491132128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366661681817872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736666329368193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736664614336931 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366677881197265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366672025379018 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366687673493644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366671352222451 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366680732162298 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736669011651391 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366665226497222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736674083947592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366706577930183 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' units: cannot open included file '/usr/share/units/currency.units' at line 5057 of file '/usr/share/units/definitions.units units: cannot open included file '/usr/share/units/currency.units' at line 5057 of file '/usr/share/units/definitions.units units: cannot open included file '/usr/share/units/currency.units' at line 5057 of file '/usr/share/units/definitions.units /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366712092275066 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366720050706028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736669688232969 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366694857655154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366698015975598 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736670319396033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366705288735498 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736665224470346 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366779530647847 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736671109727074 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366720540715297 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366710580226796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366716521162048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366723023121425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736669438722795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366711720541322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366730459658736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366783110260792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366828504467222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366790035581203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366807477810958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736678560252527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366788596376953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736681066306736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366792774655662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736678891360339 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366824510290133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366830720082566 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366805477430022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736680629471639 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366875613723684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736686970640794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366908471658182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736689643992747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366873064675178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366919254046367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366876245634064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366955990937832 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736687275537384 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366945884284218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736690296741304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366905471153796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366903093073432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366975867366546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366907332457662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736697047753037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366964473289312 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736695062999593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366919828987615 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366931053946483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366950172054285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366955675883916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366920165562846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366974896082757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736697984610634 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736694658951452 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736696850367022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366991152574965 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367007307346155 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366990371719682 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367030427170657 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173670370442226 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736702872111238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367004732622496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367014113120943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367018492031186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367040591958052 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17366988269863845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367103871579836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367057953150064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367084932926063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367063695729737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367002146064495 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367035884210405 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367041452012952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367094344489245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367057225381946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367107287971714 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367093364156846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367071336443635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367089274282704 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367059097013618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736712794170376 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367050793559363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367129387807068 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367073679882794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367112803986337 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367122599447327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736710962258151 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367115851170425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736711203786823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367117122642076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367122985902336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367158294521184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367136581073084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367136437496272 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367102856384642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367145454782945 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367106433580048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367116005698321 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367164453060507 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367146417841187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367163286121426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736721556934985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367178886734863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367170049694083 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367162083550058 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367157066574007 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367215273424033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736714065479189 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367111981646502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173671552189533 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367163149800718 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367196730885598 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367168600293667 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367172409813234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367210837897862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736721023970823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367196800234486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367236844484527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367206404687915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367193844178805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736720083616766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367253090072854 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367271276499135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367221783897566 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367247007684997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367218528338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367242031374025 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367183867904373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367227400589086 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736725895633195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367353505729693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736728228960959 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736732072966638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367335341873152 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367271159985376 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736727877001964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367373859635363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736731817251444 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367286209858604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367285022320061 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736730762510723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367283539090647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173673066213761 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736729929351641 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367282968735395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367297062896966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367296399859136 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367337659485677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367323902938758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367350849194033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367325327662517 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367351957425314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367339200244958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367307884698355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736734489531273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367295235354968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367366642761078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367356254527516 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367347519606366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367395061539478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367361817242072 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367351022403218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367392979518742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736734498650373 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736732509723855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367351557646504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367361912892965 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367322123687495 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736731994849618 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367306998744264 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367343316317968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736734501544079 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367338184125328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367353037161676 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736733555488089 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367412832844853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367333727273623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367377340963516 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367345534406986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367389877239936 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367362675491937 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367320156423235 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736734209197095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736736937381128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736740870252675 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367345009484125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367352357985827 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736734283425364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367389004630998 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736736841489826 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367337262121754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367357796126523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367399865104774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367350166871437 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367376133896953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736733907293269 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367390569207308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367341426968108 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736735518970142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367395287370557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367348158661586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367360511381777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367396348203454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367377356232427 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367355029052883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367376717784386 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736740320291865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367388840234363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736745912982667 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367445492841352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736736916111254 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367355510922036 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367423127564316 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367404768931258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367419625839411 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367383629359462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367403509941168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367388027941583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367475078999228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736741887948361 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367406002775349 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367406863087742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367402418974476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367421943781566 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736742681617454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367484513498369 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367450999144565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173674300073785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367509257658234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367461244439739 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367456037607196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367455305461574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367518032456353 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367461329715614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367506851989561 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736748613375893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736744143936575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367417799091975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367495687541393 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736745701785209 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736747062946593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736745156504515 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367499160756483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367557571076958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367501139653133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367529817625574 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736750115441165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367531838704944 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736756030061492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367544440309052 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367515177857942 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736752395020931 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367535717673363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736756054962661 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736755227909077 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173675615132562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367544300836785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367538598290821 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367576520475123 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736750992024666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367521249807752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367535398318376 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367531860574473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736759162028288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367500064932812 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367523529459417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367518448003705 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736752284002644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367556158810332 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367526775698816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367538275573652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367536047384285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736755201448005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367531380521622 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736756233169588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367558603728875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367557489009372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367541139878956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736759564995827 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367592425052336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736757749745124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367542574690678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367581098298585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367607847227975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367594019160568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367604272802198 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367606377766107 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367606513225553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367601434523328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367609566229833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367554620184444 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173675793944165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367607063262355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367566551543143 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367664957180245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367646802597167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367641340695653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367628846714903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367603082439492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367648561050186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736763283334559 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367644402957672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736766080981713 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367645287947933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736766218332995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367640715539923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367617125083756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367685336717834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367688915760043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367658585274795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367639914136787 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367639553628822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367682693351771 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367659190708545 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367646249629845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736764732986436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367674516337317 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367683366863537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367667516754853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367663703041744 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367666645046573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367664204629418 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736769882620946 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367637215927825 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367687606270016 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367690379435266 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367676518232414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367700933437288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367713407610003 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367671956629685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367640821650907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367722103988686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367680559664542 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367730250354124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367750923911737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736769327418604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736771822448448 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367710024002964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736771193794048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367687254076963 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736769509764269 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367739406641305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736772038726835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367721427619964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367746156247768 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736770845586345 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367706945970365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367716597763935 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367703435376688 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736772749622709 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367729199189264 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367743712882822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367708707883978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367707484512107 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367754622030113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367698946899135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367702062083484 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367669618302414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367731125353184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367735071010565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367735517054078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367766167929322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736778273590142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367736700724565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367790452150433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367779896357988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367800600151295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367797577141247 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367754578560407 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367758734734415 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367767592024216 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367762038771573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367768529994035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367765271573063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367799256225808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367781775009775 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736776064805741 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367769484056478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367791904319715 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736782999796757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736776750395736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367786916033748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367765680502503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367802406828853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736786010289436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367838054499532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736779839736773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367861666806853 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367795729854404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736779337448663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367804998835795 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367864503583336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173678512394055 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367856568686907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736786783115597 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173678396915456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367820721988797 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367806762769902 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367820431271883 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367862609848364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367822625669033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736786046322329 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367865966049673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367844820105502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367810320500754 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367796283969222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736782175155809 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736785861852096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367830877819326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736787027999694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367845872514157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367877389256137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736784580249685 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367841672277454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367843033415345 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367849844102026 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367864698102342 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736783370706129 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736787358405355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367876552407865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367909396243747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367907390591736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736789753382411 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367899107112997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367892189844425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736787787591489 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736792925420305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367936679956994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367929091204004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367934847991887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367887066031798 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736790485601185 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367918849950278 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367914320583927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367919119317443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736792655609372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736789180927402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367960240627606 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367970222368662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736793952249997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367948968220565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736793720632838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367912600955895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367884268702966 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736795132504266 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736793060063731 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736796188697471 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367983738439038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368009786224065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736796787120823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367974948805417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368042002547016 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736797435692131 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367975612300096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367998721206596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736798998956508 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368013678075053 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736792721934085 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367972325860315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368003118184025 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367996610077693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367969265799835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17367994432366038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736804512221352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368054064370686 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736801721441225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736804131573237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368015279023355 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368036416709187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368073835481532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368089915521995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368038852596024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736804965982915 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368080794238472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368088730993816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368029536543728 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368053644913847 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736808384622312 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368064206699182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736808033415881 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368086286442602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368070504875896 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736808853559169 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368104610923898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368095718592694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736808381295253 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736807520616997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368137329485595 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368094796864186 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368113833095997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368139313837502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736812208556665 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368121594004304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368127671823338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368125284917646 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368120226182082 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368130607284854 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736814228217138 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368108190546036 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736814414130503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368121928190045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368132872235958 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368162976364407 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368187974976598 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368155448515366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368189105962112 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368131054554428 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736811493858932 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736815101082572 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736818157621596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368155546271838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736816434788193 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368165561097898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368167798473125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368178662887054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368141731419964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368184130186548 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368173998622116 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736819989273189 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368138620242873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736816346034104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368176620896245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368176359377008 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368181925711765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368248438058287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368212825363813 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368194679658416 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736820588832951 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736817658120738 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368214460181702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368246175101804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368265249822917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736824537004305 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736821968227877 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736825128217886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736822147793443 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368236846883967 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368234120470621 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368244051840276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368219141817517 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736822872750245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173682035313975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368244075226394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368278507698473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368232631105263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368269929332034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368315502184742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368314693014078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368337487201763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736831841532882 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736829898700145 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736836173216854 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368375648469647 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368335617641034 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736836249074184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368317590140367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368308008111036 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368293571497806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368353599822084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368327509017345 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368354605186662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368355864178453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736835799582724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368359507747957 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368321849814955 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736837593053724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368318158188503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368331210668708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368360584992623 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368328205806766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368403523466794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368355914382194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736837882594325 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368341882031152 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368338360442084 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368344419842496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736833297568173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368337716026863 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368334065599467 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368363344328905 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368345974067564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736831273270177 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736837272721414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368411668051456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368406595336786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368375173596684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368438369041694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736840140676289 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736841733009755 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736841106965784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736844416990544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368399055605038 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368465206996897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736843835159861 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173684092253587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368411620753654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368407486276416 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736841059507447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368438261629074 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368433306041994 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736842419089601 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368485585747126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368419446757447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368473957062336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736843374457588 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368456347562602 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368481644092582 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736847313509625 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368493312151004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368475739267078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368487416967124 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368534687909198 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368539245141276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736854851312771 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368540252901338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368551211908756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368574944814844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368551839606722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736857184380817 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736860581780674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736856904531169 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736857830738194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368586104698752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368592122053764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368565930924323 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368600068876577 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368603984586384 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368612738543243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736857651730502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736864054016985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368596082641663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368580241311318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368577637612703 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368640068496125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368630151339215 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736863757936088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736864890498109 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368692101875916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368623407395062 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368637315955257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736867838643257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736859116093488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173686970216462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736866020041781 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368628282690593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368670178146714 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736865473214617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173686741291903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368651898294313 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736862459246856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368635194483412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368647561086814 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368677781839265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368650046357995 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368684173077037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368622544117582 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736869187241131 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736866363420785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368673640247456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736869117727288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368688262649237 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368696612328338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368741099238771 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173687765172661 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368786523792035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736871617691925 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736870839495097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368696289966967 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368695015939503 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736874110245127 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368713678958603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368748877595097 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368668421760605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736868427925532 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368699243143057 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736872479865445 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368717305485254 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368785543153453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368710730775852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368748597493291 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368718264669478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368703654137319 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368727790112692 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368783964756074 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736875487445423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368713262459035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368768233075246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368718866478092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736879189251288 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368741443949764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368757665009163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368724184225767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736878808865236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368759553743224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368798761375265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736878528622434 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736876694855057 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368737746349705 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368828590302315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368784578837998 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368779447093435 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368805476224772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736874916411223 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368786941529182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368769695971073 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368796807194217 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368823167707834 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368836366867907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368759590735736 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368783721383182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368776747496684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736877227799462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368837529648662 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368778998944337 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368788026837514 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368792889547494 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736882018474268 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368807153382196 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736884689827432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368808025334836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736880737658439 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368841048838482 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368886016794838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368860986087792 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368837863339578 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736882964497459 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368877944550454 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368926692308287 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736890425237959 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368925854301756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368921109295005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368862673731847 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368924374421438 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736890604847879 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368866353040738 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368899025146722 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368909614132425 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368897796503777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368881943406794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368902478773235 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368935883658063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368945850673737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368946515509592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368955892234517 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736897777138416 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368971658691762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368948137075302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368962151909004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368949263398592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173689922186284 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369000981221136 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368977018903964 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368964610705215 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369006307809368 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368994142270103 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369003952810205 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369051592494195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369011865189746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369015744262797 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368998013984277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368984831233156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368990089538375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369037503587845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369045508547928 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369071126426766 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369041073711952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369038879876095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369024693998253 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369011306764331 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736902716962363 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369033619221255 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369028133964967 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369014664491805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369061616515624 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369034859298585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736902351224134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369046416645983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369047257023554 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369022230502693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369021632489748 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736901623352259 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173690014457493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369085150016683 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369022909080778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369045103942643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369029408864645 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736901157588956 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369000885969368 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369044245764992 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368990050333014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736903854540884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17368994657065254 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736900028159879 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369013812269304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369060451626922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369076588807633 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369068230297716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736901977863072 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736902146406865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369071665849822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736906670584044 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173690980192286 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736905636306884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369102791004254 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369074693774014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369077489792234 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736910300153608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736906389862829 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369061657440565 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736908870788319 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369068782710742 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369109885717643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736909114925537 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369149812354207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369114063037203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369129737882882 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369134407675585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369109916868133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369169451723096 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369152478542182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369172002780187 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369193094749605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736916760712337 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369147824063283 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369148552576022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369190113148347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736918030273431 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369123471566153 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369182126119984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369122746646265 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369146337496402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369180345393098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369154701262726 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369156392464877 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369190282657088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369179841302354 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369188629277907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369223418582436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369205360949552 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369224181216808 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369196799633513 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369224752590165 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736918912689719 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369207847678642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369233619761043 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369213693561708 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736919471243573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369203449565584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369187779794407 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736922420427243 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369206570228202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736924355170339 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369266150872767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736927222093806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369244062460332 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369294801245921 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369279280781555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736930239048965 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369258160411327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369265649177248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736927776494651 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736927791302436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369311395555467 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369250278049017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736925202376076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736926049920699 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369250288306612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736926259164179 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369280836559703 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736930013360816 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369235183275744 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369298248226345 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173692755378671 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369308420115326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369318475608347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736929980280875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369330063940702 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173693323012385 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369328051630423 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369317411470078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369324852950113 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369328648737759 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369343296406606 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736939721456477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369322203466844 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369371064752592 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369316929324366 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369281821798715 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369319216014653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369335110743456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369327942276622 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369315536013655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736931765077117 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369260669808295 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736935461073145 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369352718435035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736930793118586 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736933760184178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369264917911456 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736932805618263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736934367833079 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369341792616758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369333648730376 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369358103210342 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369287770790426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736934518126898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173692869739412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369385702636952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369328793978744 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736936409384412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736937747573599 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369321192231912 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369318645007767 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369313303048897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369353573737903 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369372392886642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736939685120098 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736934401954184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369427007875524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369393011276102 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736944412212752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369450032341274 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369405311322497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369463965325635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736942239933987 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369448471824292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369424666827774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369450406267067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369453019279033 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369475422656683 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369502055677238 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369480124879308 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369485082002553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369454005867663 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369471327590194 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369509651522339 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369513382009388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369483108709172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736947049802575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736951810281062 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369511028659024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173695065820975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369472274003891 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736950381594262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369525982384473 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369546039914294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736955851578709 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173695437465961 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369555365820497 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736957295751666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369554481745184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736955982946943 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736956636549214 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369617917557129 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369569936263274 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369594520809872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369547836707372 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369569413928512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369604035696679 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369561683412002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736953642404486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369530220188306 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369549656501093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369554333428547 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369563763072426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369539878534862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369562616292678 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736957125293604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369566519468585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736957640727214 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369575744664997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369564879323207 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369568286715575 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369560177200477 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369558428909118 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369589764717533 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369570104461154 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736957232707873 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173695770515049 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369588293479063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369599235624228 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369616575845906 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736961223316224 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369589927485343 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736958279757042 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369624692808472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369558023405277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369627014815106 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369650570874648 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369568375469974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369605126190985 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369606740250182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736957085268449 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369582051753996 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369565376607138 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369557284516404 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369544218372823 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369581872560047 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369574703675275 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369603019363747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736961719894555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736961191067148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736958758333783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369627258092882 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369643800144988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369614391553143 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369624416319726 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369634949580898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736967472671236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369611531682483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369646603471894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736968739156416 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369668985257591 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369673436168984 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369614744859463 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369677034463848 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369639683619859 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736961419240989 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736963531460432 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369672240112335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736963759873006 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369680007752525 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173696815750786 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369638887184796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369641775527292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369664654449163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369677990547347 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736964329293642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369615904268615 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736964761564764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736964442377093 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369648259604803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369666977653433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369675273624174 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369717285149605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736974108066659 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736966949846173 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369676637531398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369656975637762 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369666151589852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736966468257805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369663049067294 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369688005197653 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369667640018838 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369674252856934 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369671176381446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369730228723881 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736970612219139 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369701877093136 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369733668244997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369728270888474 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736968523776219 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173697063897185 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369757513918835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369739426475433 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369700640902352 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369741146721807 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369730176471318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369725679415737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736975858214211 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369726962020318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369692356960467 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369716868838367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736974361243637 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369720591400004 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369744095045073 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369760034601778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736976255986182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369780337811005 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369823941302526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369798776325063 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369778287288318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369804349707968 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369790916632122 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369822994198664 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369782500176612 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369824935230344 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369810298851573 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736983059840541 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736982917327144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369834112026927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369861844747353 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369807148030114 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736985384947845 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369862565215638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369880268471105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369850377789198 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369871457472907 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369877990212576 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173698950236075 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736990380839179 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369949813106975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369891478016544 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369910753454065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369863709049693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369921430630417 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369927494552773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736994197902778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369909171122175 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369920999894606 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369917706959787 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369892757514485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369882409618587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736991711299634 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736993111639191 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369940668700756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369942486861123 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369939561745593 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369955827958078 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736992479998527 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736993469458304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736993351221953 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369908026199596 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369957282165496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369962411103398 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369934146469607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736992004566496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369920297143315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369980178071728 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369959347265496 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369921221494133 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369984520366408 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369934627719785 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369948421980025 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369941730428937 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369955450822697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369920024177732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369953491840476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736998523751245 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369995959608558 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370015201655395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369994755352444 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370038156856954 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370023233559492 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737003081064677 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370010796677335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370024097979328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369993187822852 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369964409490737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737004234801932 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369987753539598 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369990363014604 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370028560125583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736999483869108 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370004665341032 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369994534974104 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369975431727178 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370010255927917 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1736997917539169 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370005181513654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370029160852282 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737004278335054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370041664572763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737005143468349 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370030124140756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370044041024998 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737003123631752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370040595466923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370034833751866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370062600339548 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17369996629203585 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370090085670828 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737006384253495 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370106411318617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737010234274334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737012338792132 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370103692937716 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370097777839885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737008672294735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173701352404375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370134162167744 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370108431969022 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370126182767304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370084823212878 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737014697462771 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370114339572615 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370116912285555 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370114524659944 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370104980671028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370096542005803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737011382140377 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737014318579468 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737014327369614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370150532232392 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370106577739436 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370131526915952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370108163913806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370141366035236 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737013271169495 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737012677604674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370124030378262 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370174180434872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370155378505225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737014021219306 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370172023994643 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370134288180988 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737012904068877 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370123572615914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737018682627962 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370142428862403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737015547015269 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370172791174476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370190799983887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370172849146365 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370222114495737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737017265209757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737018190598937 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370179671953523 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370196698027723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737018632598512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173701481596535 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370195537037256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370193234553805 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370210586668614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370166277343846 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370190130037813 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370222724651013 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370223496280607 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370170935600948 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737020807198439 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370224129022765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737019352680697 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370228256685394 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370255123312056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737021876741276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737023662964595 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737020001741218 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370251840539375 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370245197484965 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370230455368285 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370253895560886 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370273211667434 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370261630628583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370284275435913 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370269048005377 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370268984686862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737028984120613 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370276769597895 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737027261875202 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737025634187717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370276288046396 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370289908529898 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370275765623067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370269120368986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737029400848302 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370255357018674 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370319134242582 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370308743511095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370342263544428 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370354076334027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370337277650652 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370346336499462 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370319205875673 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370381606824833 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370321982598777 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370336412877646 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370341762172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370344098035395 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370367360979128 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370353806328256 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370367548767213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737039576425393 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370363365443983 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737035540863446 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370367212811566 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737043881198109 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370458282126489 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370388847772156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737039137532635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370410694071023 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370413193693923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370410494945757 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370440936173176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370455437443522 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370447400579292 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370422643952874 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370455220388584 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370450718542457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370425036315176 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370512948066605 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370465051693787 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370483522937694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370446376823603 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370495109139478 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370466173937466 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370504650434668 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370499776650894 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370514081951655 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370478520711993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370543896832222 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370525726587108 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370540562670414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737052372728248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370558032237887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370530587797667 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370515188743835 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370514527471406 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370492096601203 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370529613603594 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370498228913758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370525250421598 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737053060067353 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737053877782499 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370500761252727 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370525611693957 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370524553921973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737051910632778 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370528712483632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370551330318376 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737055319049865 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737055626813741 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370612048268322 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370604791144897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370541826736277 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737060113432349 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370597753484396 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737057529988569 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737062389032094 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370597843133206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370582604599422 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737061559443876 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737060833786071 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370607133238014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370583417509872 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370628217035045 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370602101746524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370608867810397 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370660502096635 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173706767054531 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737062852159403 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173706359108414 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370640443113675 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370639327262505 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737066441456524 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370653412388493 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173706339502086 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370650841137272 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737062437539771 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370661780254743 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370689088659472 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370648796741636 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370647655932056 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370655092364506 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370656182697566 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370644908984273 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370661607302654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737063733297875 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737062823338206 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370642889723747 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370714403608717 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370648958418888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370666259698822 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737069217199157 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737065199141914 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370655633987608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737067866410897 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370625975213885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370634929586076 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370710407179796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370669471794095 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370657397560804 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370662549027735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370664896004764 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370656405025617 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370646550150923 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737071400165773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370705131665773 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737066246698126 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370688168733037 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370717620721626 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737070846780589 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370687984309424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370666652297598 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737072288305334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173707139609888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370725800071085 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370722518254272 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370765891123616 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370734973319457 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370751969597054 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370735598192558 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370710660587318 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370731225246444 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370754045513576 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370767644568388 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370789347248144 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370774826215638 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737079491105357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370775064168384 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370781435737306 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370725729029737 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370784273759715 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737077626737666 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737076099041158 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370780831748142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370777355124714 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370784802801567 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370763079632803 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737082055897087 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370782396459916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370807454671724 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370813706233756 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370820882978583 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370814084890784 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737083743291402 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370823351815887 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370806465035088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370774671971706 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737081120247864 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370806937582314 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370874829849325 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370813875724642 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370811559121357 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370848575826758 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737085739960268 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370888585478453 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370833825692952 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370886982621028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370851659741485 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370846927599312 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737090794392488 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370859195849847 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370902413172323 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370909934335732 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370852211747548 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370886325670049 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370853364736735 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370927127193486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370896428969884 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370892075353325 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370916540243933 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370915367454973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370861615963024 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737085989536922 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370892395712278 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370907556519263 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370900414605137 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370885453862017 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370917742765557 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370915277475746 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370942883002077 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737087305224954 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370866720557654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370887034694632 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737093111916841 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370905801841546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737094998810806 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370911715862336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370932155071553 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737092833831993 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370980638216707 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737090145031364 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370923889115694 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370983286402156 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737092451888976 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370928587554893 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737097338245661 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370974403896264 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737092039459253 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370954216254064 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370961104124888 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737099735580123 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370939473180205 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370986556745327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370976939616048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370988949639213 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370975802779723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370949632289048 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371032158985014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370981092260335 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370974085278973 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370935945428315 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370936743805057 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371026045213325 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370978699945772 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370995583375867 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371003336699672 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371019337499272 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371010617530208 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737101612411447 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17370960314690198 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371025934257014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371037163731226 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173710149702824 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371022286569815 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371057690621916 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371046481143546 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371024456330986 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371099024361705 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371099944231289 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737102772360644 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371018132708269 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737100573672599 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371053439279419 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371048359716215 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371008612942182 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371061634874654 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371071631419796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371088642389002 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371090430010513 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371097990717424 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737107855874559 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371128125979796 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737111632892526 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371030379966598 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371125997675027 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371098936102028 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173711569103774 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371092071044728 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371107249390885 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371066286655185 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371093565487866 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737108620104065 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371121773343587 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737110960930241 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371042429201614 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371095585989502 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371087971729035 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173710925772516 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737111081885412 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737113164937936 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371119363174856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737111370859359 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737111945861105 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371108998232088 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371144945719855 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371155218319997 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371088080576336 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371127604338168 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371131149595426 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371148701874276 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371112870423167 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371116359790978 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371152043776134 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371095073088752 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.173711213094836 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371130991705763 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737109795877671 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737105575575564 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371087566202684 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371113438776195 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737107817864562 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371106798217184 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371135589538125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371153881491014 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737114341980271 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371095297175246 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737112366759257 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371110492757538 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371097340820327 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371142553642974 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371112764849483 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371156777633961 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737115210381571 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371140440295788 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371145278571062 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371178506321142 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371191179132486 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737118739469368 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371155669606608 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371181750106512 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371200793329972 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371196951014117 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371167258913067 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737117766810019 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737119029817016 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371203730058687 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371163578329338 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371171450752393 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371233131746464 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371205757427516 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371237789390637 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371215694135927 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371251131925092 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371289083327576 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737129450557061 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371280916195248 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371267872451862 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371267852729225 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737128447694969 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371260663356258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737126196422975 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371296074866266 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371251244427582 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371286518133125 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371285758478566 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371289907891765 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737135406014161 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737130216376726 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371293157559367 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371313964688148 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371304592123304 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737128517047171 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371295729034172 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371335003198476 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371318298372163 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371269652889326 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371298649825723 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371303065016258 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371287557660794 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737129829794504 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737134276515856 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371358962707334 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371294422897465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371285928655944 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371332852850568 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737132058322783 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737133524546877 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371357726918465 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737136620324197 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737131567822135 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371323814469328 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.1737135365816693 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' /usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py:217: UserWarning: FixSymmetry adjust_cell may be ill behaved with large deformation gradient step 0.17371340396055782 warnings.warn('FixSymmetry adjust_cell may be ill behaved with' {"realtime":596.40,"usertime":1478.75,"systime":8564.05,"memmax":103832,"memavg":0}