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=9.87987564426193 stress="-114.9025521511575 -5.515701057594624 -1.9325363784472245 -5.515701057594624 -112.34425728641362 -7.435891173592822 -1.9325363784472245 -7.435891173592822 -114.31609758536592" pbc="F F F" Mo 0.26959405 0.17626233 -0.14597521 -34.51155390 -44.59597437 -56.30130875 Mo 1.70996341 1.49207130 0.15300231 45.82129261 44.90432319 -25.55106948 Mo 1.53848316 -0.04225341 1.41852158 28.70935465 -37.49184181 40.64872279 Mo -0.04210664 1.38825682 1.27041603 -40.01909336 37.18349299 41.20365544