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=81.4330227371462 stress="-7.694460323288496 -0.19862359797719764 0.32943409550024455 -0.19862359797719764 -4.640636180316906 -0.01567849524205129 0.32943409550024455 -0.01567849524205129 -4.604016140233637" free_energy=81.4330227371462 pbc="T F F" Se 0.07236142 0.20379337 0.23854596 -28.71335676 -59.47866208 -46.91062029 Se 1.26922180 1.28229695 0.02031036 32.76927476 44.04922639 -57.72102907 Se 1.41870456 0.02015752 1.37970777 18.55912885 -43.91554118 44.35447344 Se 0.27711528 1.37871118 1.25213077 -22.61504684 59.34497686 60.27717592