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=-0.8549250602603896 stress="0.07397472282921329 -0.003537820538306088 -0.0011410902268207792 -0.003537820538306088 0.07320697872298372 0.005021245974769278 -0.0011410902268207792 0.005021245974769278 0.048436207116588074" pbc="T T F" user19 0.20629544 -0.05105073 0.00026613 0.17423068 -0.17800002 0.43785840 user19 1.55183528 1.72754782 0.01937269 -0.22791441 0.24967982 0.48697264 user19 1.56567072 -0.19386225 1.61967250 -0.08354162 -0.13599748 -0.44614739 user19 0.15233594 1.38540541 1.24239762 0.13722535 0.06431768 -0.47868366