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=-3.03945720963 stress="-12.905979375929128 0.4078427799981155 -0.20674442755579286 0.4078427799981155 -9.738052401759116 0.8907833855743984 -0.20674442755579286 0.8907833855743984 -9.860598408076589" pbc="F F F" W 0.26959405 0.17626233 -0.14597521 -14.77561293 -12.24248544 -18.21907039 W 1.70996341 1.49207130 0.15300231 19.96034149 16.61019196 -11.78114137 W 1.53848316 -0.04225341 1.41852158 15.16755096 -17.08440211 17.20292607 W -0.04210664 1.38825682 1.27041603 -20.35227952 12.71669558 12.79728568