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=48.09250962542136 stress="-134.58648808432636 -6.47358408548391 -1.4601048294537264 -6.47358408548391 -138.26253700552584 -10.584740543303091 -1.4601048294537264 -10.584740543303091 -140.6309039450344" pbc="F F F" Mo 0.26959405 0.17626233 -0.14597521 -40.05475266 -55.46411774 -69.51550582 Mo 1.70996341 1.49207130 0.15300231 53.88169405 54.77635980 -31.21330649 Mo 1.53848316 -0.04225341 1.41852158 33.32115646 -45.68562420 49.23227725 Mo -0.04210664 1.38825682 1.27041603 -47.14809785 46.37338214 51.49653505