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=37.87898402209095 stress="-172.95361369710028 -41.720310955761605 32.32898949872731 -41.720310955761605 -283.9840756276297 -161.34074904993653 32.32898949872731 -161.34074904993653 -252.3808369111419" pbc="T T F" user01 0.18362810 0.19581920 0.14685009 145.65042803 -360.98962028 -388.35611573 user01 0.97748741 0.81451915 0.04581097 -75.51316395 38.22524542 -78.73831404 user01 0.99249922 0.14111819 0.68391457 -218.94134935 -206.19616798 49.07056820 user01 0.03848316 0.70774659 0.66852158 148.80408527 528.96054284 418.02386157