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=829.266983021224 stress="-375.6058910489464 11.71157519172164 -24.570290268453814 11.71157519172164 -387.5222989828152 17.859802867782168 -24.570290268453814 17.859802867782168 -396.25661590226133" pbc="T T T" C -0.14459490 0.11115480 0.11044915 222.43481812 -321.71602099 -65.36776947 C 0.95960170 0.56143450 -0.16166483 -320.46096755 235.35562236 -187.64211340 C 0.53829595 0.03769167 0.59907360 -19.97480364 -107.64679581 128.34621482 C -0.22187219 0.76878885 0.57834452 118.00095308 194.00719444 124.66366805