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=-3.3726493377221805 stress="-52.1582656471241 13.152158089459508 -7.599942454882417 13.152158089459508 -87.22659684031852 -43.41205251317868 -7.599942454882417 -43.41205251317868 -89.90902410304265" pbc="F F F" W -0.22238644 0.18220204 -0.10637159 -13.92838291 -40.55488263 -50.09857176 W 1.73573857 1.43422538 -0.04354740 13.13977792 8.38421011 -6.29703929 W 1.20296332 -0.15112699 1.72083292 18.69579853 -21.20362567 13.61551500 W -0.21015034 1.48735431 1.42299150 -17.90719353 53.37429820 42.78009605