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:Z:I:1:forces:R:3 energy=37.145517368 pbc="T F T" Mo 0.12418668 -0.09051133 0.19462846 42 -32.47989743 -51.27068041 -30.39746693 Mo 1.16337955 1.27846858 0.17817145 42 42.85884005 57.26178166 -50.78160765 Mo 1.42470151 0.06235191 1.31668137 42 35.84510713 -49.66554586 37.57264985 Mo 0.15157940 1.24396547 1.41257404 42 -46.22404975 43.67444461 43.60642474