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=-9.614827699054219 stress="-6.818474635008534 0.5863211614508861 0.05449747242188188 0.5863211614508861 -7.838489023820078 0.44440322551558037 0.05449747242188188 0.44440322551558037 -7.457819610320788" free_energy=-9.614827699054219 pbc="T T T" Mo 2.85540510 0.11115480 0.31304306 7.07719620 -8.38594499 -9.25784778 Mo 1.70960170 1.31143450 2.54699460 -15.43360298 -2.72271284 18.06044466 Mo 1.28829595 2.70059987 1.64041416 -6.78965641 11.61076803 -3.68043703 Mo 2.77812781 1.51878885 1.32834452 15.14606320 -0.50211020 -5.12215985