500 Lattice="17.789055799534253 0.0 0.0 0.0 17.789055799534253 0.0 0.0 0.0 17.789055799534253" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1913.3878160901634 stress="-0.004745184040235918 0.00012204342369212496 0.00021952310236594851 0.00012204342369212496 -0.005023050411709297 -1.013634361178106e-05 0.00021952310236594851 -1.013634361178106e-05 -0.004956814510863923" free_energy=-1913.3878160901634 pbc="F F F" Fe 0.00900374 0.03241092 0.00951895 0.43544036 0.46109920 0.45389075 Fe 1.75548155 1.78267454 0.01647093 0.22805442 0.02450884 -0.12539130 Fe 1.75431452 0.00949596 1.74773716 0.19493474 0.00634208 0.11559252 Fe 0.00984353 1.79703116 1.74369167 -0.17067084 -0.15954327 0.13306112 Fe 3.57978720 0.03433158 0.02259579 -0.30371633 0.32043379 0.27225971 Fe 5.31367191 1.76717324 0.01424069 0.09101694 0.21264721 -0.27119698 Fe 5.30680120 0.02635046 1.74962129 0.14707988 -0.35866756 0.18238106 Fe 3.54657945 1.79273233 1.80020658 -0.22402794 -0.27474020 -0.34202632 Fe 7.10801424 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