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=59.88506772424164 stress="-9.598187046278653 1.2767788734633685 -1.4962672265372847 1.2767788734633685 -9.845275352437588 -0.8132671895647183 -1.4962672265372847 -0.8132671895647183 -9.646582120357474" pbc="T T T" W -0.14459490 0.11115480 0.11044915 49.82291186 -55.01578141 -21.34134293 W 1.70960170 1.31143450 0.04092907 -89.80221881 44.84080395 -36.65432033 W 1.28829595 -0.09986095 1.64041416 -8.03759991 -5.21893982 -0.46351592 W -0.22187219 1.51878885 1.32834452 48.01690686 15.39391727 58.45917918