4000 Lattice="36.645392972687446 0.0 0.0 0.0 36.645392972687446 0.0 0.0 0.0 36.645392972687446" Properties=species:S:1:pos:R:3:forces:R:3 energy=-16177.251312183971 stress="-0.001609763666855588 1.5864753036172558e-05 4.024447410624849e-05 1.5864753036172558e-05 -0.0016377851475866383 -6.850920402096208e-05 4.024447410624849e-05 -6.850920402096208e-05 -0.001623099862007062" pbc="F F F" Fe 0.02874906 0.01548107 0.00755812 0.35200837 0.41509991 0.39813992 Fe 1.81551896 1.85444730 0.04155686 0.06434454 -0.33011149 -0.12976600 Fe 1.80474755 0.02212967 1.85089934 0.07350838 -0.07469225 -0.27719218 Fe 0.02656414 1.86398683 1.82128056 -0.19487725 -0.34108051 -0.03827633 Fe 3.64757237 0.02961742 0.03631894 -0.10068122 0.24693261 0.22381586 Fe 5.50047407 1.80588112 0.01835332 -0.14113332 0.20878228 -0.01971108 Fe 5.49715242 0.04864053 1.80146375 -0.04283989 -0.05420625 0.27171487 Fe 3.63519394 1.82423837 1.86815354 0.26466503 0.10278513 -0.28584051 Fe 7.29888558 0.00389899 0.02260673 0.22540450 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