180 Lattice="8.565973788499832 0.0 0.0 0.0 8.565973788499832 0.0 0.0 0.0 57.10649192333221" Properties=species:S:1:pos:R:3:forces:R:3 energy=-725.6862361233866 stress="0.004451628528597349 -2.3311631534885976e-12 3.6504677231065335e-07 -2.3311631534885976e-12 0.004451628539054503 -1.703498392287935e-06 3.6504677231065335e-07 -1.703498392287935e-06 9.068576532635736e-08" free_energy=-725.6862361233866 pbc="T T F" Fe 8.56519072 0.01109028 14.26698471 0.00000158 -0.00000924 0.00000010 Fe 1.42687957 1.43875029 15.72427699 0.00000203 -0.00000786 0.00000007 Fe 8.56519180 0.01108389 17.13737974 0.00000129 -0.00000671 0.00000145 Fe 1.42688134 1.43874056 18.56733416 0.00000151 -0.00000613 0.00000108 Fe 8.56519419 0.01107136 19.99449323 0.00000223 -0.00000284 -0.00000153 Fe 1.42688436 1.43872611 21.42227657 0.00000296 -0.00000181 -0.00000132 Fe 8.56519795 0.01105588 22.84991161 -0.00000000 -0.00000488 0.00000216 Fe 1.42688858 1.43870945 24.27758034 0.00000089 -0.00000323 0.00000229 Fe 8.56520233 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