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=41.57779483187697 stress="-2.9875481986224544 -0.2733152991475689 0.3446168614904608 -0.2733152991475689 -4.988762548539358 0.05761338967609917 0.3446168614904608 0.05761338967609917 -4.879012838585065" pbc="F T T" Au 0.22094491 0.30205975 0.18190327 -27.41639623 -2.16856522 -4.37176653 Au 1.32183498 1.71219253 -0.07514625 27.87775340 -9.55616398 5.12985420 Au 1.62990665 -0.21779550 1.78278197 31.82801613 12.60500622 -9.61373592 Au 0.06210000 1.68215332 1.32702941 -32.28937329 -0.88027702 8.85564826