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=280.7034407507158 stress="-34.59850138692363 2.155698652310487 -2.0655946031632655 2.155698652310487 -33.708856354867414 -1.9372007344572837 -2.0655946031632655 -1.9372007344572837 -39.47616892256215" pbc="T T T" W -0.14459490 0.11115480 0.11044915 103.85657270 -218.04244575 -52.58657850 W 1.70960170 1.31143450 -0.16166483 -188.17961253 184.46712165 42.95885697 W 1.28829595 0.03769167 1.64041416 -30.61290676 -166.39461169 -59.89418793 W -0.22187219 1.22744829 1.32834452 114.93594659 199.96993579 69.52190945