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=78.99908203564426 stress="-10.73860325270182 1.952084799762431 -1.5301092144376565 1.952084799762431 -10.856718834783518 -1.4287001298029287 -1.5301092144376565 -1.4287001298029287 -12.247629190391624" pbc="T T T" W -0.14459490 0.11115480 0.11044915 52.43847761 -98.93278284 -43.87234871 W 1.70960170 1.31143450 0.04092907 -93.98282186 65.16243804 -39.06443228 W 1.28829595 -0.09986095 1.64041416 -8.13386213 -32.39275528 -0.29091256 W -0.22187219 1.22744829 1.32834452 49.67820638 66.16310008 83.22769355