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=5.2552888108750535 stress="-3.420292508237532 -0.21920463705212742 -0.2986538364572187 -0.21920463705212742 -3.237899170515049 0.20700817341609112 -0.2986538364572187 0.20700817341609112 -3.268632490350524" free_energy=5.2552888108750535 pbc="F T F" Mo 0.05473499 -0.08438932 0.13661615 -44.02044494 7.25989295 -40.53524997 Mo 1.40480033 1.37719504 0.11041876 28.40511306 -5.44447284 -30.57500506 Mo 1.26735611 -0.16466555 1.24148635 45.29910244 11.28127129 39.88214915 Mo 0.08611608 1.53369179 1.52598936 -29.68377055 -13.09669140 31.22810588