252 Lattice="12.114116306628905 0.0 0.0 0.0 8.565973788499832 0.0 0.0 0.0 56.532542764268214" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1017.4727066402235 stress="-0.00030707615709826944 2.791698584612803e-12 -1.1168925203383721e-06 2.791698584612803e-12 0.002091839391433393 -6.173408558485627e-07 -1.1168925203383721e-06 -6.173408558485627e-07 2.6632180992556223e-07" free_energy=-1017.4727066402235 pbc="T T F" Fe 12.11318211 0.00852665 14.14131287 -0.00000651 -0.00000612 0.00000160 Fe 2.01808510 1.43618895 14.14131354 -0.00000453 -0.00000610 0.00000049 Fe 2.01807854 0.00852371 16.15682004 -0.00000247 -0.00000524 0.00000091 Fe 4.03709820 1.43618599 16.15682029 -0.00000686 -0.00000491 0.00000125 Fe 4.03708667 0.00851827 18.17576881 -0.00000646 -0.00000230 -0.00000039 Fe 6.05610594 1.43618065 18.17576876 -0.00000108 -0.00000374 -0.00000091 Fe 6.05609027 0.00851138 20.19478924 0.00000164 -0.00000159 0.00000241 Fe 8.07511006 1.43617368 20.19478930 -0.00000667 -0.00000153 0.00000327 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