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=87.57378103086138 stress="-9.236679561784733 -0.6048727257824034 -1.7489503261806394 -0.6048727257824034 -9.973178153934295 2.1151801311867953 -1.7489503261806394 2.1151801311867953 -11.621149224447064" pbc="F F T" Au 0.02724172 0.22083292 -0.21015034 -80.25723486 -132.42928954 83.63923670 Au 1.48735431 1.42299150 -0.09301634 124.14106246 76.15808959 104.96470009 Au 1.68107110 0.13102478 1.59995250 55.21497974 -76.08714304 -43.60400903 Au 0.26120756 1.51193751 1.75226748 -99.09880735 132.35834299 -144.99992777