256 Lattice="14.321637725830085 0.0 0.0 0.0 14.321637725830085 0.0 0.0 0.0 14.321637725830085" Properties=species:S:1:pos:R:3:forces:R:3 energy=-900.7203475698584 stress="-0.004769660608272502 0.00030845082491491376 -7.250159909053345e-05 0.00030845082491491376 -0.004920941575277158 -0.00022490050407144164 -7.250159909053345e-05 -0.00022490050407144164 -0.004792546074219279" free_energy=-900.7203475698584 pbc="F F F" Fe 0.00865908 0.00134770 0.00150232 0.62876155 0.64109859 0.61001114 Fe 1.81038789 1.76687727 0.01475815 -0.18031444 0.18800985 -0.55458446 Fe 1.79122895 0.00565362 1.76056901 -0.09717749 -0.54482911 0.21723661 Fe 0.02912659 1.77446367 1.80564544 -0.49357755 0.00254964 -0.12227826 Fe 3.53086757 0.01789785 0.03150641 0.20569469 -0.05252392 -0.07354851 Fe 5.40392823 1.77261735 0.02207029 -0.22337915 0.24264649 -0.50131659 Fe 5.35350620 0.01463564 1.79561171 0.02217191 -0.47219812 0.12586719 Fe 3.57468794 1.78094067 1.77111004 -0.12495366 0.24995826 0.25741488 Fe 7.14893046 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0.15297089 -0.37929486 Fe 8.98097326 8.92770990 10.73148974 -0.29381467 0.07253629 -0.10672086 Fe 8.93431665 7.13280982 12.56474126 0.09475954 0.09022555 0.24384132 Fe 7.15688207 8.96237870 12.55449827 0.13959139 0.00024020 0.22772868 Fe 10.73944296 7.16102101 10.76256946 -0.13837100 -0.12554205 -0.22880537 Fe 12.54008160 8.97852731 10.77682911 0.39645232 -0.05691134 -0.20805480 Fe 12.52896782 7.16716556 12.50484061 -0.16686150 -0.06646308 -0.07367362 Fe 10.74728808 8.95051152 12.51820172 -0.16932681 0.01849844 0.48610695 Fe 0.00046192 10.73569231 10.75419776 -0.31026077 0.01797839 0.12311910 Fe 1.81267635 12.54225044 10.75038110 -0.19562564 0.41435101 0.09318085 Fe 1.81983222 10.75434380 12.55639353 -0.13451414 -0.13147414 0.29000630 Fe 0.02514827 12.49606059 12.55392215 0.65712088 -0.61098128 -0.64495180 Fe 3.54564602 10.74903737 10.69309291 0.38752239 -0.22406852 0.26154721 Fe 5.34213377 12.54882579 10.71524501 -0.00849871 0.32489489 0.14100046 Fe 5.38352956 10.71131737 12.51052950 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