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=-0.9140470134306355 stress="0.09163632859998784 -0.0014544740712928283 0.0010044749995963295 -0.0014544740712928283 0.0654780247643904 0.002903896001553657 0.0010044749995963295 0.002903896001553657 0.04971597912081827" pbc="T T F" user14 -0.00883042 -0.15723373 0.08269534 -0.22567223 -0.39585753 0.36113686 user14 1.63252888 1.75650195 0.16726531 0.22981269 0.51565823 0.49077506 user14 1.56345616 -0.26337790 1.64122336 0.27748438 -0.57414675 -0.45789418 user14 -0.06726586 1.75192387 1.78362220 -0.28162485 0.45434606 -0.39401774