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=30.781534186749205 pbc="T F T" Mo 0.26959405 0.17626233 -0.14597521 42 -11.80418919 -38.15547618 -23.16391038 Mo 1.70996341 1.49207130 0.15300231 42 -21.45504110 45.84845926 -38.32808266 Mo 1.53848316 -0.04225341 1.19943383 42 9.62732997 -44.81191114 22.77841474 Mo -0.04210664 1.38825682 1.27041603 42 23.63190033 37.11892806 38.71357830