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=39.55244896625466 stress="-160.55974100988004 57.47671820911433 3.870099008863747 57.47671820911433 -139.23668126857453 9.007568873227456 3.870099008863747 9.007568873227456 -104.25383312581484" pbc="F F F" Au 0.23171545 0.18190327 -0.17816502 -29.20129676 -26.23013118 -33.87350991 Au 1.71219253 1.42485375 0.12990665 37.61496405 38.67120563 -31.50341874 Au 1.28220450 0.28278197 1.56210000 90.58728953 -100.95010383 42.82051163 Au 0.13362859 1.32702941 1.57034430 -99.00095683 88.50902938 22.55641702