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=98.4249297091704 stress="-11.542230827273457 -0.4807434761779562 0.3714392804051693 -0.4807434761779562 -9.409967758847262 -0.8620369287918653 0.3714392804051693 -0.8620369287918653 -13.523532513583437" pbc="T F T" Au 0.03848316 0.19178619 0.17895518 49.04641156 -93.25178371 -55.35165041 Au 1.79140871 1.61455359 0.03253581 -71.60921167 80.41064275 -12.62956503 Au 1.64904689 0.10609294 1.46603997 -73.52805582 -102.96786865 29.25631343 Au -0.19401975 1.32157598 1.51361598 96.09085593 115.80900961 38.72490201