4000 Lattice="36.7539752863669 0.0 0.0 0.0 36.7539752863669 0.0 0.0 0.0 36.7539752863669" Properties=species:S:1:pos:R:3:forces:R:3 energy=-13598.391596263995 stress="-0.00339559521709236 1.287130814919786e-06 4.183349934125425e-05 1.287130814919786e-06 -0.003461565422974759 5.777477997651233e-05 4.183349934125425e-05 5.777477997651233e-05 -0.003445430982579924" pbc="F F F" Fe 0.00648704 0.00430380 0.01365455 -0.56030626 -0.45215903 -0.55398561 Fe 1.84633157 1.83335827 0.00827826 0.73015566 0.52431082 -1.09037705 Fe 1.83373673 0.01973948 1.80540890 0.90020186 -1.03767062 0.78996677 Fe 0.01094302 1.83077397 1.84361904 -1.04263576 0.62630192 0.53956586 Fe 3.72662934 0.01238605 0.01141662 -0.23061468 -0.76947487 -0.63080972 Fe 5.49489843 1.83061374 0.01595245 0.25901049 0.72141186 -0.96025647 Fe 5.52922863 0.00613415 1.86323430 -0.20228707 -0.97234192 0.47014065 Fe 3.71016726 1.85445647 1.85662226 -0.30798150 0.44855413 0.67626620 Fe 7.34311250 0.01470441 0.00658504 -0.00333230 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