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=24.032100075889556 pbc="T T F" Au -0.12320595 -0.04105180 0.20259391 79 5.92453798 -9.43147506 -24.92245269 Au 1.56504129 1.20865944 -0.13449789 79 -9.25624111 16.75787004 -25.81762006 Au 1.28802619 0.22277084 1.68584377 79 22.45669637 -4.43678489 26.89831988 Au 0.18362810 1.69581920 1.64685009 79 -19.12499324 -2.88961009 23.84175287