16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=2.255378949560237 stress="-0.0009094746934473809 6.69803932486443e-05 6.591057104224738e-05 6.69803932486443e-05 -0.0006997604582273626 -0.00020430814494492054 6.591057104224738e-05 -0.00020430814494492054 -0.0007859916666897159" pbc="F F F" Au 20.85540510 20.96314185 21.11044915 -1.00997672 -0.73936426 -1.01338773 Au 22.70960170 22.31143450 22.33833517 -5.56718565 7.99588446 0.83112808 Au 23.78829595 20.83509776 21.14041416 2.54479763 -5.88794646 -6.63102655 Au 25.27812781 22.49446427 22.39164379 5.19330154 2.58712521 -0.48361734 Au 20.87679405 23.89640262 21.20259391 -2.58390676 -1.05222084 -1.45657192 Au 22.56504129 25.20865944 22.36550211 -8.47391831 11.31339620 8.69880899 Au 23.78802619 24.22277084 21.18584377 9.40918182 -6.58564525 -12.17050460 Au 25.46209668 25.69033349 22.48811829 1.08092709 0.69334107 0.82728566 Au 21.26959405 21.17626233 23.85402479 -3.82721711 -2.34787768 0.92332428 Au 22.55137041 22.30875267 25.65300231 0.77179692 -0.01889267 2.96799739 Au 23.95834710 20.95774659 23.66248704 1.46545429 -6.03554312 5.68344780 Au 25.45789336 22.38825682 25.27041603 1.46562104 -0.28812557 1.24490192 Au 21.19178619 24.17895518 24.29140871 -4.20087507 -1.65043886 -1.12741823 Au 22.70529265 25.53253581 25.64904689 -1.96821917 4.71894579 4.57608453 Au 23.78091226 24.10609294 24.23823960 1.37072680 -5.08212220 -5.31816747 Au 25.30598025 25.25538924 25.51361598 4.32949166 2.37948416 2.44771520