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=42.286245271372735 stress="-2.6960941641020004 -0.06655214406790654 0.36413986907851276 -0.06655214406790654 -2.816000754766278 0.25644034397517856 0.36413986907851276 0.25644034397517856 -4.768354468610835" pbc="F F T" Au 0.29874826 0.05835534 -0.25354363 -25.85124355 -31.00927957 0.01155401 Au 1.48193431 1.42001865 0.20070203 31.91873114 30.36942537 -11.79472452 Au 1.20342959 0.28187239 1.36500085 30.70917034 -30.86939723 5.85027690 Au 0.10170120 1.37793365 1.21904386 -36.77665793 31.50925143 5.93289361