500 Lattice="17.79640588198092 0.0 0.0 0.0 17.79640588198092 0.0 0.0 0.0 17.79640588198092" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1907.2295387816491 stress="-0.005911906421078748 -4.819830002985699e-05 -7.820350087677881e-05 -4.819830002985699e-05 -0.00571399300437441 0.00012114829650712083 -7.820350087677881e-05 0.00012114829650712083 -0.005852116738918342" free_energy=-1907.2295387816491 pbc="F F F" Fe 0.01666230 0.00679708 0.00703420 1.15634958 1.09546198 1.10445630 Fe 1.80246061 1.80555225 0.02243802 -0.68820458 -0.59360976 -0.19479072 Fe 1.77727152 0.01096718 1.80917131 -0.31301078 -0.16630700 -0.59876766 Fe 0.00090458 1.74974739 1.76106755 -0.10950049 -0.23291740 -0.40457466 Fe 3.53527165 0.02730895 0.01101679 -0.00244040 0.69457866 0.69734209 Fe 5.37210591 1.74548172 0.00215649 -0.08058740 -0.27373064 -0.03691951 Fe 5.36079377 0.01564096 1.80674286 -0.14182772 -0.13050214 -0.52260438 Fe 3.55085997 1.80973856 1.75559051 0.34846324 -0.53939604 0.14937851 Fe 7.15143950 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