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=95.43530072599266 stress="-11.318008216718951 0.19245489405777363 -0.17381141574820066 0.19245489405777363 -10.229319909946911 3.503353639035595 -0.17381141574820066 3.503353639035595 -12.81823311117554" pbc="T F T" Au -0.10256555 0.13362859 -0.17297059 24.20552105 -124.21065705 80.08389327 Au 1.57034430 1.54852473 0.14085107 -36.72453239 80.93625579 -18.36458716 Au 1.44930248 0.13661615 1.43078969 -27.69161144 -95.74081526 -2.83994053 Au -0.12280496 1.29869006 1.61041876 40.21062277 139.01521652 -58.87936557