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=2.4393373547383517 stress="-53.5935728805631 -3.001498394742364 -0.6190091302337777 -3.001498394742364 -55.88527972017413 -4.8797773826848 -0.6190091302337777 -4.8797773826848 -57.00692796649655" pbc="F F F" Mo 0.26959405 0.17626233 -0.14597521 -16.11704695 -22.80412346 -28.39441639 Mo 1.70996341 1.49207130 0.15300231 21.61509326 22.13432802 -12.40805010 Mo 1.53848316 -0.04225341 1.41852158 13.12554979 -18.13964242 19.74537682 Mo -0.04210664 1.38825682 1.27041603 -18.62359610 18.80943787 21.05708966