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=-106.82237012198024 stress="27.096892387109026 -0.010046656329225174 -2.1336998273396666 -0.010046656329225174 27.036908764130867 0.03960622949954983 -2.1336998273396666 0.03960622949954983 21.744316232809517" free_energy=-106.82237012198024 pbc="T T F"
Mo       0.20259391       0.21804360       0.22277084     -21.98305682       6.14711555     205.64323716
Mo       1.64359035       1.68362810       0.19581920     -18.49456922      -5.30008098     217.99264592
Mo       1.64685009       0.18811563       1.67626233      31.12620120      -0.74418758    -236.16817150
Mo       0.04581097       1.70996341       1.49207130       9.35142484      -0.10284699    -187.46771157