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=866.6021529051487 stress="-189.81167677040668 256.06416765693876 -253.95029980618526 256.06416765693876 -1160.3346956164055 758.8281415996246 -253.95029980618526 758.8281415996246 -1049.1033786188486" pbc="F T T" user01 0.05835534 -0.25271761 0.22817528 -898.53125606 3961.22373237 -6152.72123116 user01 0.67001865 0.95070203 -0.29657041 1831.52034002 -4606.26670494 1760.29452705 user01 0.50584059 -0.00206453 1.03187239 -1094.27737859 4964.24427288 -1277.45135137 user01 0.12044051 0.94400463 0.70682971 161.28829463 -4319.20130032 5669.87805548