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=20.703469391195537 stress="-4.059090618278117 0.4396673336208695 0.788721050195623 0.4396673336208695 -4.248975860155358 0.7147120464437251 0.788721050195623 0.7147120464437251 -4.628392846321082" free_energy=20.703469391195537 pbc="F F T"
Mo       0.29874826       0.05835534      -0.25354363     -34.31106312     -38.02959927       3.45014762
Mo       1.48193431       1.42001865       0.20070203      41.41457557      42.52660459     -25.86650759
Mo       1.20342959       0.28187239       1.36500085      53.72882601     -57.25006805      12.45906027
Mo       0.10170120       1.37793365       1.32947245     -60.83233846      52.75306273       9.95729970