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=3002.768281411235 stress="-15842.776250283117 -2046.5546951546671 -7809.548597061521 -2046.5546951546671 -8342.057297074234 2159.875452233681 -7809.548597061521 2159.875452233681 -12993.992151456872" pbc="F F F" Cf -0.05020793 0.00485789 0.24005080 -10148.13050963 -3283.87587532 -6272.62533914 Cf 1.26361929 1.42777749 -0.17469400 1311.38543606 4402.49355484 -4260.47125530 Cf 1.34171495 0.24709959 1.26175478 10221.28206134 -2777.62883882 9578.87551999 Cf 0.02735874 1.66278552 1.74935368 -1384.53698777 1659.01115929 954.22107445