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=-1.3693767010984796 stress="0.1099094063209839 0.012185791565945129 -0.00376712221614278 0.012185791565945129 0.09437903211169393 0.008029976323059922 -0.00376712221614278 0.008029976323059922 0.11105356825558522" pbc="T T T" user04 0.10622558 -0.09794868 0.32783994 -0.10174192 0.29163434 0.04981329 user04 1.67472584 1.21921673 0.11899830 0.24882960 -0.48937958 -0.31309779 user04 1.61051184 0.22143364 1.72711922 0.42730873 0.76570406 0.16235500 user04 -0.10766880 1.23359309 1.77959245 -0.57439641 -0.56795882 0.10092950