256 Lattice="14.764517735677899 0.0 0.0 0.0 14.764517735677899 0.0 0.0 0.0 14.764517735677899" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1948.443142411676 stress="-0.007275209569729712 -0.0010721129260232805 0.0034166528021300395 -0.0010721129260232805 -0.008693637671145064 -0.0010680449809307292 0.0034166528021300395 -0.0010680449809307292 -0.009070224541055653" free_energy=-1948.443142411676 pbc="F F F" Mo 0.02952662 0.00382750 0.00390390 1.20485759 1.01903284 1.41120260 Mo 1.87065460 1.86644582 0.00402282 -0.57465097 -0.06126083 -0.41938102 Ni 1.86822694 0.01141220 1.83252514 -1.12770815 -0.40279756 -0.58972991 Ni 0.02127065 1.84828366 1.79876623 0.18611275 -0.54333573 -0.01328372 Mo 3.69824310 0.03795242 0.03677401 -0.25628304 -0.11755167 0.50482917 Mo 5.56811805 1.87641843 0.03497388 -0.56452364 -1.16738144 -2.00733924 Ni 5.59541585 0.00950411 1.86891330 -0.16500770 -0.49388315 -0.52558814 Mo 3.68419702 1.84658493 1.86965954 -0.49800586 -0.89319486 -1.17860748 Mo 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