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=90.19006180088326 stress="-10.42246977877757 1.441768502281306 -0.7791081399888947 1.441768502281306 -11.001707148407265 -0.16755675401823295 -0.7791081399888947 -0.16755675401823295 -10.483361881818546" pbc="T T T" Au -0.14459490 0.11115480 -0.01275680 62.13088537 -39.91948176 21.11562975 Au 1.70960170 1.31143450 -0.16166483 -96.70401688 40.04175287 13.38065118 Au 1.28829595 -0.16490224 1.64041416 -17.27234613 12.41863643 -42.29696422 Au -0.22187219 1.51878885 1.28729272 51.84547765 -12.54090754 7.80068328