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=78.99907926118442 stress="-10.738656418082474 1.952242283634928 -1.5302004448040052 1.952242283634928 -10.856996988133913 -1.4286854642603113 -1.5302004448040052 -1.4286854642603113 -12.247799991218004" pbc="T T T" W -0.14459490 0.11115480 0.11044915 52.44108290 -98.93376581 -43.87073368 W 1.70960170 1.31143450 0.04092907 -93.98599742 65.16188069 -39.06533123 W 1.28829595 -0.09986095 1.64041416 -8.13308974 -32.39049892 -0.29316099 W -0.22187219 1.22744829 1.32834452 49.67800426 66.16238405 83.22922590