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:Z:I:1:forces:R:3 energy=46.0478252717 pbc="T T F"
Mo       0.08407602       0.33863628       0.44854923       42     -13.66124407     -71.88410052     -77.42362764 
Mo       1.45717459       1.35402479       0.31605635       42      12.64352936      39.42877854     -52.47440409 
Mo       1.49207130       0.16661829       1.53848316       42       6.14435315     -31.70381024      52.24839415 
Mo      -0.04225341       1.41852158       1.45789336       42      -5.12663844      64.15913222      77.64963758