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=1454.6678595559338 stress="-675.7530692740639 -8.706119449516557 -37.43060429865971 -8.706119449516557 -792.7072446908869 -4.6248469596567805 -37.43060429865971 -4.6248469596567805 -718.5577207625918" pbc="T T T" C -0.14459490 0.11115480 0.11044915 402.82054693 -501.27903444 114.07569479 C 0.95960170 0.56143450 -0.16166483 -421.09941652 386.67399878 -179.52724893 C 0.53829595 0.03769167 0.89041416 -117.82137976 -209.49051666 -97.02267954 C -0.22187219 0.76878885 0.57834452 136.10024935 324.09555232 162.47423367