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:Z:I:1:forces:R:3 energy=27.17175711745286 pbc="T T F" Au 0.14638810 -0.04105180 0.20259391 79 -7.64250980 -9.09135489 -21.50460091 Au 1.56504129 1.20865944 -0.13449789 79 5.29039797 9.41131222 -24.60415169 Au 1.28802619 0.39903317 1.68584377 79 15.20223640 -11.54125414 24.92876866 Au 0.18362810 1.54984399 1.64685009 79 -12.85012457 11.22129681 21.17998395