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=-0.9042409054720978 stress="0.07525628926315395 -0.0029428467188828194 0.006206620061022981 -0.0029428467188828194 0.07670259779421224 -0.007694692574285862 0.006206620061022981 -0.007694692574285862 0.05353117329483396" pbc="T T F" user01 0.14393970 -0.21964027 0.07517585 0.30807033 -0.33870275 0.58565277 user01 1.34298107 1.49212055 0.15714859 -0.20497503 0.20301246 0.43460235 user01 1.25910839 0.12048833 1.54804452 -0.07707379 -0.07693579 -0.49142320 user01 -0.29238443 1.74984240 1.50694531 -0.02602151 0.21262608 -0.52883192