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=125.0766671755434 stress="-13.830960915869877 1.7505403203808445 -1.1425430733704631 1.7505403203808445 -14.358514619435665 -2.2200865791236177 -1.1425430733704631 -2.2200865791236177 -16.614144641713946" free_energy=125.0766671755434 pbc="T T T" Mo -0.14459490 0.11115480 0.11044915 62.91248294 -133.06973774 -41.55037867 Mo 1.70960170 1.31143450 -0.16166483 -100.47969197 105.94118898 19.16966068 Mo 1.28829595 0.03769167 1.64041416 -16.74029587 -80.58737816 -31.22705148 Mo -0.22187219 1.22744829 1.32834452 54.30750490 107.71592692 53.60776946