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=22.356333773342634 stress="-6.177521562025951 -0.17578332007710584 -0.0654220206372192 -0.17578332007710584 -5.809434422967824 -0.134272009613465 -0.0654220206372192 -0.134272009613465 -4.961734999508913" free_energy=22.356333773342634 pbc="T T T" Mo 0.20384132 2.79224623 2.73214964 -5.82411052 -8.22569595 10.29118586 Mo 1.40436572 1.58777847 2.85444624 3.86461233 4.98308371 4.95414927 U 1.49188881 0.06482696 1.34620060 12.59522276 -29.36097882 -8.22141798 U 0.01821382 1.20575425 1.46963223 -10.63572457 32.60359106 -7.02391715