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=24.027582617908443 stress="-1.7653047288970465 -0.05589299558314192 0.06086475923266056 -0.05589299558314192 -1.3687873346863009 0.006116872879223051 0.06086475923266056 0.006116872879223051 -1.608967396489094" free_energy=24.027582617908443 pbc="F F F" Ti 0.04270730 0.13480683 0.12324216 -20.85153447 10.19603991 -3.32840282 Ti 1.74667518 1.61478237 0.01898074 15.51654498 -2.10211104 -12.22092015 Ni 1.66613401 0.10869014 1.37889363 -5.33609502 -9.45608864 4.15485180 Ni 0.07165922 1.59020594 1.63918523 -9.66842611 -4.99614937 -8.76953261 Ti 2.95677659 0.15050642 0.00239915 5.59453438 -13.70614724 -12.78270631 Ni 4.54278917 1.73520322 0.24421963 11.15485617 -0.08717384 -13.88380417 Ti 4.59176916 0.06487656 1.51477119 10.31438104 -18.32266257 -6.86647644 Ni 3.29553441 1.34125301 1.50601457 -8.51357027 6.12629096 3.82001134 Ni 0.12771106 2.77521450 0.02805905 -20.62274668 -18.16661924 -5.99137765 Ni 1.28502229 4.64120549 0.04683757 7.63809194 5.92199694 -16.29166382 Ti 1.53845433 3.18292312 1.56721494 -2.30383541 -0.68395816 -1.60213759 Ni 0.21547056 4.51635763 1.36828723 -16.17403701 6.23890707 8.08855027 Ni 2.65528152 2.77475215 0.04797327 11.66519462 14.74361168 -6.98866149 Ti 4.65944719 4.75900491 0.25685297 6.88948355 5.66211651 -9.35316316 Ti 4.21574623 3.12784938 1.43372255 8.46632682 -8.02752744 -8.29449215 Ti 2.98887480 4.73666665 1.47372012 -6.59359486 16.70158491 -1.95705573 Ni 0.01942903 0.29417082 3.20408111 -8.06221038 -9.25083805 -4.80537162 Ni 1.51855009 1.48591204 2.81900677 6.67858950 -0.84056842 7.18867478 Ni 1.20677130 0.07736569 4.72577322 8.75803193 -8.20162973 4.30299040 Ti 0.14977756 1.58021156 4.77354104 -13.24724032 -0.05032169 9.30765939 Ni 3.03273964 0.07675992 2.87492374 -6.66403034 -13.42090537 1.99688700 Ti 4.79497883 1.29599801 2.81113270 13.41685113 13.83185738 4.74774487 Ti 4.23333983 0.29119256 4.30691229 10.16682081 -16.96589681 14.52562381 Ni 3.16188986 1.44564997 4.24841186 -7.46605879 8.36679558 4.83398797 Ti 0.00795817 2.76680101 2.90920482 -12.30854757 7.62488059 5.79019829 Ni 1.23108817 4.69215061 3.16717744 9.36136964 8.04404621 -7.25925178 Ti 1.64995810 2.75491735 4.66523617 5.61146241 6.59309685 7.29734574 Ni 0.18360837 4.40412916 4.45061547 -11.59092632 0.75827826 13.61920511 Ti 2.86975542 3.14592855 2.82706660 -4.85547898 -5.24515069 6.69500905 Ti 4.70359985 4.25068542 2.72822113 17.57169994 15.27991008 4.72533349 Ti 4.27163296 3.15154029 4.28973682 11.87181561 -9.16273748 13.84385966 Ni 3.29811016 4.57473240 4.26010779 -6.41772194 12.59707281 5.45708454