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=28.54156269893626 stress="-6.555115963964446 -0.06873817053412894 -0.11705817569748399 -0.06873817053412894 -4.354026706985725 -0.21024513134895187 -0.11705817569748399 -0.21024513134895187 -5.169567195967369" pbc="T F T" Mo -0.02432459 0.06329927 -0.06254558 -20.34805004 -36.53020285 32.99126777 Mo 1.27846858 1.49451428 -0.15873180 24.17796111 44.58169970 45.53373415 Mo 1.34140700 0.09073906 1.77219963 17.35861773 -43.08589919 -41.30729276 Mo -0.06618674 1.63132919 1.75978669 -21.18852881 35.03440234 -37.21770915