4
Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=63.75001114292465 stress="-3.7936692364861853 0.7916523868093511 -0.18796970432712856 0.7916523868093511 -4.96832576624979 -1.3562831829744189 -0.18796970432712856 -1.3562831829744189 -21.591886176776285" free_energy=63.75001114292465 pbc="F F T"
Mo       0.28187239       0.01001192      -0.01546661     -26.39644017     -42.86050494     -32.90951521
Mo       1.60170120       1.37793365      -0.28095614      37.42196974      37.60055403      -6.48705974
Mo       1.50082602       0.24624097       1.64302402      36.78676024     -50.41660896      14.66579868
Mo       0.11042859       1.70947124       1.35512851     -47.81228981      55.67655987      24.73077627