32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=27.538940452897858 stress="-0.005777257088368145 0.0001838755613071842 -0.0003170376983972024 0.0001838755613071842 -0.005797848225559597 0.00021884513079367158 -0.0003170376983972024 0.00021884513079367158 -0.004595641763424137" free_energy=27.538940452897858 pbc="F F F" Fe 20.85498893 21.11042859 21.20947124 -20.90894382 -15.79192154 -26.02913611 Fe 22.35512851 22.55280714 20.91333883 11.62399449 -11.07695754 -16.40030081 Fe 22.24572639 21.13476574 22.17068940 40.41336735 -28.52404422 4.02636532 Fe 21.12054514 22.22286420 22.43858073 -27.59883686 40.49068213 7.09016564 Fe 23.96417151 21.15488783 21.05988540 0.71237661 -6.19553122 -4.65379408 Fe 25.15214435 22.96025755 20.81425730 41.95305332 -33.95066394 -13.51563847 Fe 25.64554524 21.02320567 22.25659173 2.87513306 -1.36575707 0.70140630 Fe 23.85030549 22.70220574 22.28219307 0.74495682 -6.72143075 10.13586679 Fe 21.21813893 23.76716069 21.19410236 -39.65904730 10.89647159 -24.34821084 Fe 22.35297790 25.19835545 20.85834834 2.62865503 9.07109728 -4.53898876 Fe 22.22002482 23.76262702 22.41661558 20.40773108 8.08390697 32.00805704 Fe 20.77955299 25.76962732 22.51442724 -0.51329765 0.25782933 0.98816771 Fe 23.91888520 23.82826077 20.83093560 -37.89917496 34.14016354 -8.98105169 Fe 25.56656678 25.62473529 21.23389879 0.34438878 4.51473279 -2.94902608 Fe 25.54007447 23.97609491 22.20296332 10.08221667 3.08244134 11.54844443 Fe 23.67745337 25.67789716 22.56544947 -2.86064324 12.83642496 -9.01630657 Fe 21.20471875 21.12683282 23.69922989 -7.71446006 -18.86385653 17.60237974 Fe 22.68107110 22.32825321 24.13102478 -0.89473769 14.91245842 -12.62259297 Fe 22.33210214 21.26120756 25.51193751 14.93687374 -28.01684724 14.66176826 Fe 21.25226748 22.46473022 25.39841124 -17.09640460 11.25766664 18.42878456 Fe 24.07236142 21.20379337 24.23854596 -20.64402790 -53.11443780 -25.21133831 Fe 25.26922180 22.28229695 24.02031036 38.96025934 25.43177850 -38.49786639 Fe 25.67934225 21.08498449 25.22590838 12.66629121 -13.44336998 12.62529238 Fe 24.27711528 22.37871118 25.25213077 -16.80252954 33.41984020 53.42315837 Fe 20.74946495 23.42399776 24.10579306 -8.67484601 14.17850143 -12.46033196 Fe 22.42015473 25.53363765 24.21980528 -9.43340749 7.73533557 -11.10586353 Fe 22.79977655 24.18543805 25.45460942 -63.02868421 -78.63551391 6.72141448 Fe 20.90554536 25.43039323 25.58592448 -2.73893141 0.11981334 1.42941969 Fe 24.12269778 24.30153067 23.52588338 0.57299248 -12.25589953 7.30162975 Fe 25.63357343 25.65200324 23.76285402 3.08699389 4.78346978 -0.62058817 Fe 25.49637794 24.22881142 25.20398620 4.98981861 -1.99858375 3.66746260 Fe 23.70220318 25.21755886 25.44043358 69.46887024 74.74220120 8.59125168