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=2724.3202741381288 stress="-12964.050584317118 -2131.778089459828 6242.740388488668 -2131.778089459828 -8830.55887446977 311.4935040629957 6242.740388488668 311.4935040629957 -12923.02161617549" pbc="F F F" Cm -0.22351219 -0.04720269 -0.04398453 -3186.69430089 -3179.83154021 -1580.98347133 Cm 1.21159189 1.39636545 0.28385989 8171.08920540 4311.75727437 -7201.11691642 Cm 1.46765533 -0.25524425 1.61133563 1190.91139970 -2500.07303451 1908.42807264 Cm -0.09779477 1.47757785 1.71996458 -6175.30630421 1368.14730035 6873.67231512