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=52.32585342108408 stress="-6.354770375165766 -0.2829079365859108 -0.6501772419306459 -0.2829079365859108 -6.45860721270181 0.341702251607415 -0.6501772419306459 0.341702251607415 -4.613497003623211" free_energy=52.32585342108408 pbc="T T F" Au 0.35559622 0.06504129 0.22277084 -9.63370350 9.39464934 -39.73852335 Au 1.68584377 1.68362810 0.19581920 -5.88094864 -3.74620907 -51.00935489 Au 1.64685009 0.30807721 1.67626233 -12.46786497 -11.71262412 43.45120654 Au 2.85402479 1.66771000 1.49207130 27.98251711 6.06418385 47.29667170