32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=871.6881992201851 stress="-21.477235412685655 -0.23469510412204636 1.1780832704595636 -0.23469510412204636 -20.62449807414466 0.6445108818092723 1.1780832704595636 0.6445108818092723 -21.404913338120735" free_energy=871.6881992201851 pbc="F F F" Nb 0.02805905 0.14120549 0.04683757 -60.94369087 -48.71422465 -47.69844025 Nb 1.54263272 1.68292312 0.00795275 -110.57015709 -79.30090179 -223.57362934 Nb 1.24043896 0.21547056 1.79041282 -100.45598961 -216.34269585 -60.77169199 Ni 0.04797327 1.81009642 1.48853786 -124.05513681 -38.83680301 40.67712153 Nb 2.85690023 0.25685297 0.12784938 8.96281472 -161.83607350 -140.91476997 Ni 4.43372255 1.48887480 0.23666665 114.65767523 -47.28359788 -112.82903450 Nb 4.23656475 0.01942903 1.79417082 179.69846672 -169.98941304 -45.95251955 Nb 3.20408111 1.51855009 1.45887194 178.68546433 -250.71892351 -118.49084760 Ni 0.03691384 2.46854754 0.07736569 -91.05811772 49.86053137 -103.73854056 Nb 1.72577322 4.64977756 0.09364432 -41.71566834 117.80969622 -86.97275489 Nb 1.77354104 3.03273964 1.78819433 -311.36452139 279.74269067 -47.76425598 Ni 0.29497883 4.29599801 1.31857346 -69.23322572 68.32483208 -31.96182687 Nb 2.73333983 2.96247704 0.29119256 42.21501139 144.11494316 -341.28231874 Nb 4.30691229 4.66188986 0.00795817 61.29633579 76.83925721 -64.50351814 Nb 4.26680101 2.90920482 1.23108817 294.73451022 151.29137890 -58.80735642 Ni 3.16355473 4.66717744 1.43572501 19.49535941 117.04797006 9.21218163 Nb 0.16523617 0.18360837 3.29673533 -180.31694823 -104.98174567 -14.62109166 Nb 1.45061547 1.36975542 3.14592855 -133.84675616 -52.23771764 194.37732016 Ni 1.32706660 0.20359985 4.25068542 93.20728551 -118.96671492 112.03447261 Ni 0.15154029 1.01577332 4.79811016 -84.84552166 42.64310466 89.29355694 Ni 3.07473240 0.05926218 2.72754451 -49.76871587 -140.12957464 91.21235349 Nb 4.73715536 1.66066994 2.78209294 202.40007467 -18.66043305 93.14160500 Ni 4.20269759 0.48797412 4.00176946 82.48636405 -66.05117464 71.83765852 Ni 2.99125874 1.44872827 4.61781300 -6.58544548 4.00875480 101.15670371 Ni 0.16162860 3.37826746 2.86129912 -114.35200318 -18.05584280 27.52777896 Ni 1.02359261 4.75219415 3.36864229 142.30556280 157.86758218 -153.22361467 Ni 1.51941768 2.85368415 4.40870368 -36.37948872 14.54039178 97.47601200 Nb 0.27410067 4.42323314 4.27391271 -196.25188678 -12.80116191 248.41488914 Nb 2.94615122 2.82501147 2.79250795 195.04516390 201.89550198 356.41708756 Ni 4.76988087 4.67980802 2.76248213 39.79453940 42.94214867 16.54093269 Ni 4.43626581 3.39950166 4.44011901 39.35719788 15.14994329 47.69796140 Ni 2.68419559 4.34541179 4.30108794 17.40144763 60.82827146 56.08857579