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=-0.9658527804321977 stress="0.08795669932623147 0.00486754420719505 0.003571328508472259 0.00486754420719505 0.046184281486022584 0.004899023313987676 0.003571328508472259 0.004899023313987676 0.08465747706973259" pbc="T F T" user07 -0.19056013 0.23478322 -0.16784406 -0.21176872 0.48121394 -0.22501304 user07 1.29965753 1.59456031 0.04685413 -0.14560117 -0.46427702 0.13133818 user07 1.50695574 0.05918987 1.72501042 0.25884604 0.45440266 0.31799036 user07 -0.03060519 1.37169656 1.26601828 0.09852385 -0.47133959 -0.22431550