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=-13.486885978652797 pbc="T F F" Pt -0.18556893 0.04376171 -0.27948471 78 9.63410300 -17.97132591 -10.17818475 C 1.69273990 1.30722932 -0.09106525 6 -14.46421880 12.99432847 5.33653922 C 1.55332204 -0.02621183 1.68817113 6 6.51705991 -0.60645341 1.00311209 Pt 0.27376003 1.51283276 1.70071341 78 -1.68694411 5.58345085 3.83853344