180 Lattice="8.56597101688385 0.0 0.0 0.0 8.56597101688385 0.0 0.0 0.0 57.106473445892334" Properties=species:S:1:pos:R:3:forces:R:3 energy=-725.6864630532159 stress="0.004451633072045159 -2.331176852833197e-12 3.6504665140768535e-07 -2.331176852833197e-12 0.004451633082506355 -1.703502271026674e-06 3.6504665140768535e-07 -1.703502271026674e-06 9.067784062606952e-08" free_energy=-725.6864630532159 pbc="T T F" Fe 8.56518795 0.01109028 14.26698025 0.00000158 -0.00000924 0.00000010 Fe 1.42687911 1.43874983 15.72427217 0.00000203 -0.00000786 0.00000007 Fe 8.56518903 0.01108389 17.13737444 0.00000129 -0.00000671 0.00000145 Fe 1.42688088 1.43874009 18.56732837 0.00000151 -0.00000613 0.00000108 Fe 8.56519142 0.01107136 19.99448694 0.00000223 -0.00000284 -0.00000153 Fe 1.42688389 1.43872565 21.42226979 0.00000296 -0.00000181 -0.00000132 Fe 8.56519518 0.01105588 22.84990434 -0.00000000 -0.00000488 0.00000216 Fe 1.42688811 1.43870899 24.27757257 0.00000089 -0.00000323 0.00000229 Fe 8.56519956 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