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=85.42619111993336 stress="-4.108221897770817 0.04800478869918787 -0.01952966509284021 0.04800478869918787 -4.644047644634008 -0.4524723646334112 -0.01952966509284021 -0.4524723646334112 -4.473703611692113" free_energy=85.42619111993336 pbc="F F F" V 0.05442580 0.13572127 0.21984138 -17.90032456 -24.77947388 -10.50479983 Fe 1.23387496 1.58501927 0.06603388 39.30754945 -31.05276398 -75.52816157 Fe 1.50693356 0.16501753 1.72580078 18.25740427 -53.06120577 -23.39888970 V 0.18883157 1.49955875 1.53823201 -104.92706926 -70.32174194 -4.81334601 V 2.97931516 0.25980354 0.27143892 -7.85672128 -28.76542111 -14.77067327 Fe 4.40295338 1.60338854 0.24759167 52.37758730 -25.93419842 -94.15836006 V 4.61018303 0.18843096 1.86107100 13.70618957 -38.48051555 -4.50949052 V 3.29169807 1.54029717 1.37219400 -49.67987693 -8.94603851 13.94415619 V 0.03851086 2.86206262 0.28095696 -95.54850548 27.96970443 -76.17340758 V 1.49844226 4.76008946 0.28460712 4.93191549 21.76160013 -14.65098158 Fe 1.25346517 2.76772449 1.27715687 140.90666733 39.54689789 42.38739717 V 0.11893942 4.22956938 1.33885520 -36.74415326 56.04336305 1.82291452 Fe 2.94337877 3.18752201 0.09566688 -0.37506262 5.37526306 -17.36886018 Fe 4.49781184 4.65354121 0.11886152 6.79788534 4.88844545 -6.98070016 V 4.71182891 2.79301824 1.23241985 32.14437270 57.39699110 18.03534339 V 3.27296043 4.51129231 1.56905591 -0.99888467 11.91008560 3.59263870 Fe 0.16911338 0.12365747 2.95588739 -26.45236527 -26.08357657 15.46058267 Fe 1.45297513 1.34681875 2.86894099 25.69626646 15.56613277 34.34705693 V 1.58239258 0.03238783 4.74404962 -3.19197213 -10.09011624 15.13908880 Fe 0.12937675 1.42798883 4.55547260 -13.07511954 -3.37869344 10.81835249 Fe 2.79640878 0.21456242 3.30097922 13.59105675 -27.09191070 -2.64713176 Fe 4.35263676 1.68492541 2.83178173 73.89174803 -35.25814963 28.35040539 Fe 4.53343323 0.25613699 4.69149379 4.67088945 -4.80494863 3.43394029 Fe 3.18660072 1.66073635 4.34000708 -6.41954211 -13.73193816 45.21127495 Fe 0.23212867 2.75294705 2.76067717 -52.28178625 19.05508434 33.63525965 V 1.71181784 4.50410279 2.81323016 5.32596378 20.74695948 7.57919169 V 1.41353663 2.78353165 4.20072959 17.66308713 13.05155572 36.62748402 V 0.25186163 4.07185787 4.20039701 -9.41752801 19.84396596 16.81999983 Fe 3.24339277 2.71156333 3.06146938 -54.59655982 61.09025919 -10.50511405 V 4.62631450 4.44393924 2.92681862 9.89901377 11.05150254 -0.78748803 V 4.60401723 3.07858784 4.31214833 22.76673305 14.00460311 26.80958827 Fe 3.20770506 4.71757826 4.51333856 -2.46885868 2.47827873 2.78272934