500 Lattice="18.319950212750925 0.0 0.0 0.0 18.319950212750925 0.0 0.0 0.0 18.319950212750925" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1493.2322622053998 stress="-0.005643701394753626 -4.811614169478994e-05 -0.00029677675118366383 -4.811614169478994e-05 -0.005436709108632293 0.00019042318116511172 -0.00029677675118366383 0.00019042318116511172 -0.00573689342351151" free_energy=-1493.2322622053998 pbc="F F F" Cr 0.02144152 0.01143175 0.00331244 -0.29578378 -0.30694554 -0.24604332 Cr 1.84499673 1.82562036 0.00691197 0.50269395 0.59982311 -0.71303666 Cr 1.83018576 0.00221508 1.86230460 0.41282076 -0.76367060 0.15022004 Cr 0.00854174 1.83994646 1.83747384 -0.80406714 0.26607631 0.34659900 Cr 3.65599429 0.01709341 0.03647785 0.04385625 -0.78769637 -0.82154477 Cr 5.52407154 1.82108760 0.00334104 -0.50129415 0.65867822 -0.63454782 Cr 5.46868610 0.01012903 1.84415230 0.45702281 -0.66483634 0.71246031 Cr 3.67626899 1.80166674 1.81210360 -0.18713297 1.33438520 0.87004241 Cr 7.33254107 0.03163115 0.03196572 -0.09150133 -0.63301001 -0.71713240 Cr 9.19728687 1.84553671 0.03127879 -0.25808866 0.22707218 -1.18893801 Cr 9.13642926 0.01478717 1.79861686 0.62583513 -0.71476722 0.92972308 Cr 7.34897516 1.84751778 1.83718425 -0.28648107 0.63430106 1.05653836 Cr 11.05498295 0.02257773 0.01930976 -0.28781921 -0.59366323 -0.39841162 Cr 12.79843454 1.85728538 0.03609652 0.52207508 0.38355596 -0.64779005 Cr 12.85260504 0.01603854 1.86312925 -0.45634511 -0.67752227 0.57730204 Cr 10.97450544 1.86702613 1.84166594 0.42702368 -0.15115504 0.76335404 Cr 14.64443582 0.01562090 0.02390786 -0.46369418 -0.38404200 -0.75448541 Cr 16.51919595 1.84477793 0.02893178 0.27145319 0.43522804 -0.61256407 Cr 16.45208494 0.01856035 1.81996312 0.76395514 -0.67340086 0.53749011 Cr 14.63526640 1.84110117 1.85574575 -0.48516951 1.06462632 0.27357856 Cr 0.02259977 3.63858840 0.02630864 -0.54217988 0.27918636 -0.58025204 Cr 1.85351407 5.49127031 0.02283568 0.27374693 0.23214306 -0.81779992 Cr 1.82711205 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0.00158297 -0.29190489 -0.34733486 -0.64449167 Cr 16.49857645 5.48697892 0.02085087 0.59702296 -0.06889200 -0.60651572 Cr 16.48252126 3.66035203 1.83395900 0.45318186 0.06754261 0.74509047 Cr 14.64026341 5.51438591 1.79780330 -0.13596053 -0.08319620 1.34978260 Cr 0.00137930 7.36124743 0.02902142 -0.48670890 -0.22888004 -0.59803561 Cr 1.81721260 9.15704813 0.00008395 0.96718845 0.10709485 -0.55549842 Cr 1.83086921 7.29234343 1.85375698 0.90685024 1.17485327 0.51408373 Cr 0.02325239 9.19141348 1.82435666 -0.71321597 -0.31079339 1.13193873 Cr 3.68509916 7.36209447 0.00485658 -0.26753056 -0.25324812 -0.50220662 Cr 5.49476973 9.16565134 0.03440490 -0.00620121 -0.18087684 -0.88675631 Cr 5.49106664 7.31453611 1.83249271 -0.25658267 0.42171326 0.95149255 Cr 3.68773195 9.19032548 1.81730713 -0.49105637 -0.62338465 0.98013885 Cr 7.32231618 7.33708100 0.02678918 0.11022767 -0.16118989 -0.72177539 Cr 9.22440940 9.13501754 0.00657245 -0.62608930 0.39926827 -0.59751278 Cr 9.16297420 7.34246679 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