4 Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=38.390461549270604 stress="-170.1294846122381 -43.11403005514356 31.470312316398406 -43.11403005514356 -280.77595367681494 -161.9466268980458 31.470312316398406 -161.9466268980458 -251.47166916468407" pbc="T T F" user01 0.18362810 0.19581920 0.14685009 145.11443090 -364.17883420 -387.87037982 user01 0.97748741 0.81451915 0.04581097 -76.43685366 39.94575773 -77.68562462 user01 0.99249922 0.14111819 0.68391457 -218.68984594 -205.31673231 49.05417682 user01 0.03848316 0.70774659 0.66852158 150.01226870 529.54980879 416.50182762