256 Lattice="14.379115741539977 0.0 0.0 0.0 14.379115741539977 0.0 0.0 0.0 14.379115741539977" Properties=species:S:1:pos:R:3:forces:R:3 energy=-900.3512193163369 stress="-0.006602288345389311 0.000345574965067429 -0.0003329747651497728 0.000345574965067429 -0.006462188234762229 0.00023385950499057485 -0.0003329747651497728 0.00023385950499057485 -0.0064375787362976455" free_energy=-900.3512193163369 pbc="F F F" Fe 0.02451937 0.00968478 0.01123240 0.39770066 0.43506705 0.36489953 Fe 1.80300321 1.83007216 0.01719842 -0.20398260 -0.14006150 -0.20324427 Fe 1.80152129 0.01492269 1.77445854 -0.17141077 -0.21781431 -0.01131153 Fe 0.02519422 1.83279309 1.79192994 -0.29497665 -0.39879530 -0.23411839 Fe 3.53435200 0.02437604 0.00995393 0.16869607 0.08965523 0.02520549 Fe 5.42661597 1.76721674 0.02863036 -0.27616767 0.18805870 -0.33102962 Fe 5.40560935 0.03348945 1.79852043 -0.27394959 -0.38434059 -0.06938077 Fe 3.58327182 1.79912796 1.76737927 0.13614280 -0.09409631 0.19892312 Fe 7.19716503 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7.17867488 7.19039571 10.81478762 0.09464568 -0.07669021 -0.12787016 Fe 8.97395623 9.00237476 10.79590301 0.08271997 -0.01735765 0.12558625 Fe 8.96791228 7.20595409 12.57065193 0.10854754 -0.13961564 0.14720687 Fe 7.19824371 8.99672088 12.57080148 -0.03114954 0.09722724 0.27912109 Fe 10.80486467 7.18665749 10.79617135 -0.10349563 0.14210197 0.08510798 Fe 12.57763240 8.99833649 10.77028579 0.22894970 -0.13775103 0.24641922 Fe 12.60775527 7.20587270 12.56662129 -0.20813393 0.04153572 -0.15830021 Fe 10.75865099 8.97235077 12.61314852 0.17773884 0.14076966 -0.04906337 Fe 0.01656574 10.77368812 10.85365244 -0.23472718 0.07970846 -0.18058709 Fe 1.78451186 12.55628765 10.76363234 -0.12441865 0.28389555 0.32932568 Fe 1.78555628 10.80565202 12.58895047 0.01239842 -0.09061200 0.20293447 Fe 0.02189927 12.56404003 12.60168429 0.33188923 -0.23886625 -0.33690522 Fe 3.56736161 10.81645998 10.79272071 0.22111862 -0.10246980 0.05988121 Fe 5.42758332 12.60779728 10.79845724 -0.06521878 -0.01304961 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