2048 Lattice="31.68527511078856 0.0 0.0 0.0 31.68527511078856 0.0 0.0 0.0 31.68527511078856" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3935.7898494452074 stress="-0.006415413907392377 0.0011013835041811203 -0.00013217770167563625 0.0011013835041811203 -0.0029474933145772833 -0.0006703177774862677 -0.00013217770167563625 -0.0006703177774862677 -0.0032686957770315314" pbc="F F F" Fe 0.02463065 0.03399539 0.02341105 1.12835951 1.08112618 1.21911796 Fe 1.99629353 1.95364423 0.03638893 -0.14073768 -0.19834439 1.45438291 P 2.03238418 0.00119201 1.99346717 -0.31201070 -3.42730639 -5.33571486 P 0.00443008 1.98338416 1.97873833 -1.55432447 3.33843256 -3.37450641 Fe 3.98338610 0.02558549 0.03905513 -0.08825395 1.16700125 1.38015087 Fe 5.96123421 1.97222309 0.01008528 0.06998048 -0.03803416 1.44623544 Fe 5.91056344 0.02068643 2.02373328 0.10144072 1.48651697 0.19709606 P 3.96831872 2.01138105 1.99321588 1.78656981 1.84548104 -6.73875125 Fe 7.94194416 0.02967960 0.02955944 0.13994564 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