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=14.773950191674302 stress="-27.83769166218299 6.914739684384228 0.8724863855048532 6.914739684384228 -23.707197567469258 1.0482715729405179 0.8724863855048532 1.0482715729405179 -22.06843113845713" pbc="F F F" Na 0.23171545 0.18190327 -0.17816502 -6.02998619 -5.54207578 -7.44657897 Na 1.71219253 1.42485375 0.12990665 7.84539841 7.54623273 -6.33052588 Na 1.28220450 0.28278197 1.56210000 13.96920385 -15.91827368 8.57676447 Na 0.13362859 1.32702941 1.57034430 -15.78461607 13.91411673 5.20034038