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=-5.092772547725054 stress="-12.291138673674174 -3.139694073281857 -0.20702321282096037 -3.139694073281857 -13.575677987892188 0.1987042714859104 -0.20702321282096037 0.1987042714859104 -11.834802245330176" pbc="F F F" Pt 0.10609294 -0.03396003 -0.19401975 -5.12827513 -6.23007381 -3.86800850 Pt 1.32157598 1.51361598 -0.14801295 5.36435043 6.37854892 -3.68657183 Pt 1.47567541 0.06329927 1.43745442 3.35463985 -2.74684731 4.22049520 Pt -0.22153142 1.49451428 1.34126820 -3.59071515 2.59837219 3.33408513