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=7.920825567086383 stress="-86.13818578306136 -5.02666673117862 -0.9517789584422331 -5.02666673117862 -90.4983954961441 -8.324534565470614 -0.9517789584422331 -8.324534565470614 -92.3873642974296" pbc="F F F" W 0.26959405 0.17626233 -0.14597521 -25.95546777 -37.17026878 -46.14956314 W 1.70996341 1.49207130 0.15300231 34.83241578 35.79916547 -19.96308862 W 1.53848316 -0.04225341 1.41852158 21.00462164 -29.17264207 31.83201562 W -0.04210664 1.38825682 1.27041603 -29.88156965 30.54374538 34.28063614