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=56.186255267097806 stress="-5.5338293292818435 0.3325296912678609 1.7305062281634822 0.3325296912678609 -4.717261819458333 1.0338149621033494 1.7305062281634822 1.0338149621033494 -7.960994405376253" pbc="F F T" Au 0.29874826 0.05835534 -0.25354363 -56.93108131 -47.19940846 31.56924876 Au 1.48193431 1.42001865 0.20070203 53.49132631 46.21427986 -27.50590776 Au 1.20342959 0.28187239 1.51001192 78.78620180 -57.60428531 -13.59657385 Au 0.10170120 1.37793365 1.21904386 -75.34644680 58.58941391 9.53323285