256 Lattice="14.73052449272987 0.0 0.0 0.0 14.73052449272987 0.0 0.0 0.0 14.73052449272987" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1952.9106076519963 stress="-0.006652337173509054 -0.004412681068014992 0.0011378561923561382 -0.004412681068014992 -0.008404873960084356 -0.0020077895092515323 0.0011378561923561382 -0.0020077895092515323 -0.0078909117753323" free_energy=-1952.9106076519963 pbc="F F F" Mo 0.01171086 0.00150052 0.01122447 0.93750816 1.28368415 0.99458160 Mo 1.83367266 1.84253697 0.02675847 0.37821055 0.25458119 -0.41614259 Mo 1.85880456 0.01571708 1.82815179 -0.41658363 -0.35502531 0.54292921 Ni 0.01399948 1.86281194 1.83028608 0.09312359 -0.01345503 -0.31264966 Mo 3.69143319 0.01143176 0.05166778 -0.37329653 -0.28595196 -0.05374731 Mo 5.55325227 1.85875804 0.02160604 -0.78833827 0.28531053 -1.85855212 Mo 5.52328935 0.01134916 1.84376981 -0.08268592 -0.85763150 0.19982739 Ni 3.70850131 1.83402713 1.85020844 -0.30683058 0.28454803 -0.13498416 Ni 7.37384499 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