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=58.339595007840515 stress="-139.01384330040761 3.0156059883182778 4.961218398532772 3.0156059883182778 -135.44360412922785 -8.638968341354527 4.961218398532772 -8.638968341354527 -103.73997369291817" pbc="F F F" S 0.01193751 0.25226748 -0.03568003 -46.94325242 -39.11406440 -41.03691185 S 1.54396501 1.57236142 0.20379337 53.19836006 47.65428862 -35.42376192 S 1.73854596 -0.23077820 1.28229695 33.50231261 -44.20335623 28.32484999 S 0.02031036 1.68745344 1.52015752 -39.75742025 35.66313200 48.13582379