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=866.7165520920947 stress="-189.75292241896412 256.0089682482701 -253.94027574828436 256.0089682482701 -1160.4431350124792 758.7895822093489 -253.94027574828436 758.7895822093489 -1048.9864039945364" pbc="F T T" user01 0.05835534 -0.25271761 0.22817528 -898.39909218 3960.69450497 -6152.80904585 user01 0.67001865 0.95070203 -0.29657041 1831.16232105 -4606.19930533 1760.45439950 user01 0.50584059 -0.00206453 1.03187239 -1094.26007481 4964.54629535 -1277.78125682 user01 0.12044051 0.94400463 0.70682971 161.49684594 -4319.04149499 5670.13590317