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=56.18622678456447 stress="-5.533714148279883 0.33244976801495274 1.7305647329204097 0.33244976801495274 -4.717087541199073 1.0337971344049672 1.7305647329204097 1.0337971344049672 -7.960843064165961" pbc="F F T" Au 0.29874826 0.05835534 -0.25354363 -56.93090918 -47.19869833 31.57052368 Au 1.48193431 1.42001865 0.20070203 53.49080161 46.21303565 -27.50566591 Au 1.20342959 0.28187239 1.51001192 78.78400562 -57.60089491 -13.59853864 Au 0.10170120 1.37793365 1.21904386 -75.34389805 58.58655760 9.53368087