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=133.06776043760482 stress="-13.91532355523717 1.728727863005522 -1.0516398639251738 1.728727863005522 -14.672489191131634 -2.2476606569043533 -1.0516398639251738 -2.2476606569043533 -16.464634405648244" pbc="T T T" Au -0.14459490 0.11115480 0.11044915 57.90703006 -123.90736802 -41.16011745 Au 1.70960170 1.31143450 -0.16166483 -93.59616426 96.88103450 18.05001502 Au 1.28829595 0.03769167 1.64041416 -13.05504206 -71.33855747 -29.76073326 Au -0.22187219 1.22744829 1.32834452 48.74417626 98.36489099 52.87083569