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=16.82882750788409 stress="-47.61795784142121 -1.8486735667598944 -0.4439133674606701 -1.8486735667598944 -48.29223278026551 -3.4375738569588883 -0.4439133674606701 -3.4375738569588883 -48.983201065989256" pbc="F F F" Mo 0.26959405 0.17626233 -0.14597521 -13.98217169 -19.13817691 -24.10726921 Mo 1.70996341 1.49207130 0.15300231 18.90672719 19.04026996 -10.99587436 Mo 1.53848316 -0.04225341 1.41852158 11.92611774 -16.16221378 17.22376540 Mo -0.04210664 1.38825682 1.27041603 -16.85067324 16.26012073 17.87937817