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=7.920825567369334 stress="-86.13818602245118 -5.026666822058292 -0.9517790156571948 -5.026666822058292 -90.49839546895959 -8.324534634412991 -0.9517790156571948 -8.324534634412991 -92.38736433958911" pbc="F F F" W 0.26959405 0.17626233 -0.14597521 -25.95546790 -37.17026883 -46.14956320 W 1.70996341 1.49207130 0.15300231 34.83241589 35.79916547 -19.96308858 W 1.53848316 -0.04225341 1.41852158 21.00462169 -29.17264201 31.83201563 W -0.04210664 1.38825682 1.27041603 -29.88156968 30.54374536 34.28063616