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=33.368045602977375 stress="-3.547652568756862 -0.05174232975671326 0.33409833399614963 -0.05174232975671326 -6.223867028750329 0.24970623144768747 0.33409833399614963 0.24970623144768747 -5.632631384581212" free_energy=33.368045602977375 pbc="F T T" U 0.04737131 0.15501883 0.24404962 -54.21208660 -3.50743539 11.28224719 U 1.36810690 1.62937675 2.75818085 50.53152086 -5.51060447 8.04436998 Mo 1.59119645 2.74846884 1.71456242 21.48897122 5.01884644 -11.55885112 Mo 0.27913633 1.47856966 1.68492541 -17.80840547 3.99919343 -7.76776605