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=-1.196659877315973 stress="0.10521492486407011 0.015636230936645394 -0.005739022452494523 0.015636230936645394 0.10676351204081055 -0.005163891882793255 -0.005739022452494523 -0.005163891882793255 0.05440942557530277" pbc="T T F" user12 0.26275738 0.15613002 0.27494323 0.41846336 0.66396556 0.54579471 user12 1.38915513 1.23929276 0.03623675 -0.46381641 -0.65447781 0.65225572 user12 1.77587181 0.01928755 1.35776198 0.21758512 0.22136243 -0.62935318 user12 -0.12264716 1.49674359 1.38604655 -0.17223207 -0.23085018 -0.56869725