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=97.02400550711634 stress="-10.131921739512299 1.862906302282701 -1.4813284345408617 1.862906302282701 -10.304536028296033 -1.3839796698053148 -1.4813284345408617 -1.3839796698053148 -11.548620354010607" pbc="T T T" Au -0.14459490 0.11115480 0.11044915 48.87319797 -95.54146219 -42.26041304 Au 1.70960170 1.31143450 0.04092907 -91.16047975 60.29103483 -37.13601494 Au 1.28829595 -0.09986095 1.64041416 -4.50480441 -26.78601332 -2.62473453 Au -0.22187219 1.22744829 1.32834452 46.79208618 62.03644069 82.02116251