256 Lattice="14.552378078688125 0.0 0.0 0.0 14.552378078688125 0.0 0.0 0.0 14.552378078688125" Properties=species:S:1:pos:R:3:forces:R:3 energy=-955.9747172941888 stress="-0.0027700007200468094 0.00017239498926356156 -0.0003210685764229478 0.00017239498926356156 -0.0027236986912982206 0.00036253281645010315 -0.0003210685764229478 0.00036253281645010315 -0.0026199814441499624" free_energy=-955.9747172941888 pbc="F F F" Fe 0.02866546 0.02120686 0.02639444 0.12940228 0.15380237 0.14355272 Fe 1.82329966 1.79316776 0.02734906 -0.11962976 0.12694965 -0.26212126 Fe 1.79265258 0.02287106 1.80305046 0.11349308 -0.15342353 0.13687312 Fe 0.01226144 1.81892923 1.78537115 -0.08090226 -0.01730428 0.14704194 Fe 3.64754339 0.02006068 0.01762824 -0.11203041 0.02335796 0.09783419 Fe 5.44616965 1.79522035 0.00123844 0.08324695 0.07470562 -0.14724678 Fe 5.46149175 0.01938335 1.78935722 0.06902722 -0.11476257 0.14080885 Fe 3.63017685 1.81322986 1.79331815 0.03640995 -0.09119107 0.25944241 Fe 7.27397680 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