32 Lattice="50.55470848083496 0.0 0.0 0.0 50.55470848083496 0.0 0.0 0.0 50.55470848083496" Properties=species:S:1:pos:R:3:forces:R:3 energy=-43.64811243868643 stress="-0.0005560863575982012 5.097948249403556e-05 -6.266526823810434e-06 5.097948249403556e-05 -0.0005660254411431626 9.527736020564529e-07 -6.266526823810434e-06 9.527736020564529e-07 -0.0005882214832089184" free_energy=-43.64811243868643 pbc="F F F" Fe 25.18493498 25.36998324 25.36939520 -1.28980916 -1.61125811 -2.34356623 Fe 27.25754762 26.92574163 25.16429134 -2.09441877 5.13725716 -1.89801330 Fe 26.90645950 25.38889259 27.01064944 1.19332796 -1.89209425 3.39651194 Fe 25.14109021 27.09853692 26.93983331 -1.02797604 1.98674353 1.34338227 Fe 28.57444686 25.24314440 25.43112775 3.69907581 -4.15073415 -1.23524952 Fe 30.68148010 26.84009574 25.33252436 1.55208554 1.27475913 -2.78940912 Fe 30.51728531 25.46299661 27.23774935 1.55319807 -6.41679890 -4.48425374 Fe 29.04142827 27.24606221 26.95811261 -4.65012592 -2.00459437 3.41181520 Fe 25.50201595 29.03529012 25.15570823 -1.43408816 -2.86124365 -2.36508716 Fe 27.17522543 30.68732290 25.40485617 0.46418383 2.79570897 -2.97261721 Fe 27.11322840 28.85319367 27.01498086 1.01183457 -3.45970762 0.23008813 Fe 25.24226538 30.60081083 26.89155957 -1.56687884 3.56521023 0.67161425 Fe 29.04822667 29.03753416 25.52019483 -2.99981921 -2.49424388 -8.30059753 Fe 30.78939147 30.72104333 25.40155999 1.04476028 1.78369489 -0.86202359 Fe 30.51135703 28.97681563 27.05457952 7.27246346 -1.04273665 3.52801472 Fe 28.72672172 30.54524347 27.09422619 1.35403373 5.91453465 2.87386933 Fe 25.15401012 25.25708375 28.94115424 -2.15661240 -1.21402045 -2.00195840 Fe 27.03075823 26.89827002 28.88383341 2.18360914 3.46405591 -1.58119161 Fe 26.95060304 25.14519341 30.54116462 2.79247455 -3.09955406 1.60468569 Fe 25.44546785 26.86951743 30.76954603 -1.99580298 3.33659209 1.52053076 Fe 29.11523787 25.22219862 28.99784584 -3.77550569 -1.32102576 0.34727185 Fe 30.91041906 26.85448381 28.70927763 1.98034907 6.36766532 3.81827561 Fe 30.85532106 25.43353809 30.76345791 0.77377832 -0.38964842 1.21030720 Fe 28.80303421 27.03962500 30.77632895 -0.63812207 1.22927327 0.28966817 Fe 25.47045045 29.03999091 28.50580388 -2.63414915 -2.66379069 4.11201732 Fe 27.25970665 30.63130827 28.99666039 -1.46370133 3.45684820 -2.78011478 Fe 26.90138330 29.12405649 30.74568015 2.79467136 -7.72788811 1.24051102 Fe 25.38871140 30.54978799 30.75255040 -4.58445511 3.91157554 0.24118918 Fe 28.92884212 28.93401734 28.81808042 -2.23184716 -4.01909667 0.43819981 Fe 30.80846528 30.61459709 28.99126819 0.76608540 3.09036657 -2.27582638 Fe 30.52617187 28.98042048 30.50006024 2.69559174 -3.97755627 3.03680794 Fe 28.75118355 30.47850211 30.76569355 1.41178917 3.03170655 2.57514817