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=41.7399027013 stress="-18.434807265672216 -0.8902332508962789 -0.1302094652880215 -0.8902332508962789 -19.340918528628116 -1.841003710738533 -0.1302094652880215 -1.841003710738533 -19.69827662918564" pbc="F F F" O 0.26959405 0.17626233 -0.14597521 -22.96905499 -33.35491582 -41.44348324 O 1.70996341 1.49207130 0.15300231 31.15580657 31.84923460 -17.92828772 O 1.53848316 -0.04225341 1.41852158 19.10123090 -26.35538597 28.39308407 O -0.04210664 1.38825682 1.27041603 -27.28798248 27.86106718 30.97868690