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=12.2198312547793 stress="-47.592378002947925 2.7012556553301197 2.1047823014744615 2.7012556553301197 -39.40111884582512 0.6182772308036633 2.1047823014744615 0.6182772308036633 -50.26544083467064" pbc="F F F" Au 0.23171545 0.18190327 -0.17816502 -13.19658877 -12.37237770 -17.52808459 Au 1.71219253 1.42485375 0.12990665 17.37325464 15.57768170 -13.72511292 Au 1.28220450 0.28278197 1.56210000 18.68574507 -22.70468521 18.52769214 Au 0.13362859 1.32702941 1.57034430 -22.86241094 19.49938121 12.72550537