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=-14.671308128505034 stress="2.516918354979926 -0.11652901031975735 -0.007690062581844681 -0.11652901031975735 1.9838637601195248 0.5532166970794917 -0.007690062581844681 0.5532166970794917 2.1475100675220813" pbc="F F F" Pt -0.08013605 -0.25603453 0.09073906 0.81371356 0.57247476 0.81670013 Pt 1.77219963 1.43381326 0.13132919 -0.68306613 -0.30569139 0.76967950 Pt 1.75978669 -0.27407488 1.28504734 -0.77226311 0.47784634 -0.63417284 Pt 0.18365717 1.70288723 1.58343331 0.64161568 -0.74462971 -0.95220678