256 Lattice="13.674856020475396 0.0 0.0 0.0 13.674856020475396 0.0 0.0 0.0 13.674856020475396" Properties=species:S:1:pos:R:3:forces:R:3 energy=-722.2064384547385 stress="35.1332852294112 -13.036255106995586 34.53570769860557 -13.036255106995586 -27.466598145435494 18.838994078975922 34.53570769860557 18.838994078975922 -9.100317863201703" free_energy=-722.2064384547385 pbc="F F F" Ni 0.01680384 0.01086368 0.00201527 0.42013235 9.15048291 9.12952837 Ni 1.72679512 1.72161986 0.01216296 122.39486081 1.36403014 123.37266408 Ni 1.68627841 0.04310959 1.74924503 -602.69336863 -587.17096843 10.99195885 Ni 0.02063654 1.70904648 1.76250427 -0.99754983 0.05475111 -0.52032732 Ni 3.37267208 0.01343426 0.02614279 -0.09892242 -0.31174109 -0.30494324 Ni 5.06634346 1.69681515 0.03098394 -0.09331580 0.45254329 -1.31059987 Ni 5.07574552 0.01785195 1.69552886 0.72228710 -0.95591364 0.39839581 Ni 3.45127978 1.67848707 1.70484464 -11.26435141 5957.06046710 5915.04787396 Ni 6.78838106 0.00958230 0.01322599 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11.97818645 11.97867447 1450.66644873 -1451.74167439 6.44327407 Ni 6.84034034 10.24286446 10.19922809 -0.66829678 0.04279293 0.62764794 Ni 8.54561469 11.99720929 10.22282410 3.17003387 5274.38805385 5172.87093913 Ni 8.48224456 10.24451945 11.98690395 0.61725128 0.35264393 0.46381610 Ni 6.87070903 11.96248339 11.93338305 2475.19811809 28.53665562 2430.01863753 Ni 10.26640114 10.24497111 10.26329132 1172.74280100 1170.91583219 18.18570164 Ni 11.99148073 11.99387162 10.20286837 -0.13983706 -0.32395637 0.16034463 Ni 11.96554840 10.23982610 11.92292887 0.06043719 0.12948479 0.04964138 Ni 10.28357792 11.94076933 11.93636739 -7.66860135 -7.50877579 0.02741070