256 Lattice="14.379113068809634 0.0 0.0 0.0 14.379113068809634 0.0 0.0 0.0 14.379113068809634" Properties=species:S:1:pos:R:3:forces:R:3 energy=-900.351208104736 stress="-0.006602581466122911 0.0003455758668255387 -0.0003329898240397947 0.0003455758668255387 -0.006462475479518802 0.00023386077613257101 -0.0003329898240397947 0.00023386077613257101 -0.0064378762955870986" free_energy=-900.351208104736 pbc="F F F" Fe 0.02451937 0.00968478 0.01123240 0.39769883 0.43506545 0.36489613 Fe 1.80300287 1.83007182 0.01719842 -0.20398401 -0.14006246 -0.20324724 Fe 1.80152096 0.01492269 1.77445821 -0.17140795 -0.21781675 -0.01131009 Fe 0.02519422 1.83279276 1.79192961 -0.29497992 -0.39879386 -0.23411812 Fe 3.53435133 0.02437604 0.00995393 0.16869598 0.08965478 0.02520524 Fe 5.42661497 1.76721640 0.02863036 -0.27616531 0.18805760 -0.33103134 Fe 5.40560835 0.03348945 1.79852010 -0.27395062 -0.38434183 -0.06938112 Fe 3.58327115 1.79912763 1.76737894 0.13614128 -0.09409866 0.19892432 Fe 7.19716370 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