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:Z:I:1:forces:R:3 energy=42.334992512639445 pbc="T F T" Au 0.26959405 0.17626233 -0.14597521 79 -10.81768776 -38.37319383 -19.47552293 Au 1.70996341 1.49207130 0.15300231 79 -19.17018939 45.71421237 -34.41266409 Au 1.53848316 -0.04225341 1.19943383 79 8.61830435 -44.94799956 20.24799695 Au -0.04210664 1.38825682 1.27041603 79 21.36957279 37.60698102 33.64019007