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=-34.617320368925846 stress="-12.759117710713737 3.336304121658967 -9.494029573098544 3.336304121658967 -10.132952389486352 -2.764732749181339 -9.494029573098544 -2.764732749181339 -15.730504226815004" pbc="T F T" P -0.07874132 0.01781404 0.04990360 -113.78082017 -28.82192115 -96.46711539 P 1.31527613 1.39511382 -0.27325968 164.96467633 110.11461769 195.94101589 P 1.24428189 0.28763831 1.28184466 169.98552522 -186.13885527 23.24043531 P 0.03888317 1.65977841 1.50241614 -221.16938138 104.84615873 -122.71433581