500 Lattice="17.78905474498429 0.0 0.0 0.0 17.78905474498429 0.0 0.0 0.0 17.78905474498429" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1913.2953485467065 stress="-0.005050703119289072 0.0001130155563017165 0.00032866940411728084 0.0001130155563017165 -0.00510087559760555 4.5487032300232936e-05 0.00032866940411728084 4.5487032300232936e-05 -0.004926444188187647" free_energy=-1913.2953485467065 pbc="F F F" Fe 0.01496390 0.01218898 0.02528129 0.52985049 0.46136580 0.51058781 Fe 1.74761096 1.78857577 0.03131141 0.18239719 -0.14026429 -0.13559632 Fe 1.77073892 0.03146686 1.81337054 0.24349048 -0.23367454 -0.32753199 Fe 0.02128998 1.75052634 1.77629801 -0.31471286 0.19215022 -0.18521582 Fe 3.59271318 0.03326653 0.00171235 -0.35604077 0.34341654 0.29171328 Fe 5.32211361 1.80960681 0.03120096 0.34239966 -0.39264597 -0.40039420 Fe 5.30200201 0.01401122 1.75037851 0.38587058 -0.21280474 0.12292643 Fe 3.57012153 1.76351854 1.75585202 -0.49233996 0.01750658 0.04541103 Fe 7.12829150 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