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=68.84441505339562 stress="-6.365314948208605 -0.011357292177545322 0.24373753692980363 -0.011357292177545322 -5.460870466027512 -0.290726531847537 0.24373753692980363 -0.290726531847537 -7.873439985582559" free_energy=68.84441505339562 pbc="T F T" Au 2.91852158 0.19178619 0.17895518 34.01790516 -56.32309416 -26.38280109 Au 1.79140871 1.61455359 0.03253581 -38.58318458 53.05492671 -6.97778277 Au 1.64904689 0.10609294 1.46603997 -41.17189344 -56.16397143 16.38284324 Au 2.80598025 1.32157598 1.51361598 45.73717287 59.43213888 16.97774062