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=-3.31956206318 stress="-11.618823001187295 0.2964564801940193 -0.4989399029263983 0.2964564801940193 -11.029948293967418 -0.22384023661765282 -0.4989399029263983 -0.22384023661765282 -10.685402057444534" pbc="F F F" Mo -0.14801295 -0.02432459 0.06329927 -16.65347007 -12.65545865 -15.49489092 Mo 1.43745442 1.27846858 -0.00548572 12.02923021 14.48976257 -11.80319348 Mo 1.34126820 -0.15859300 1.31668137 16.12475552 -16.83403928 13.14008541 Mo -0.08013605 1.24396547 1.59073906 -11.50051566 14.99973537 14.15799899