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=46.98935028986032 stress="-8.644117539575452 -1.5512380666474757 -0.4436889235463494 -1.5512380666474757 -9.082684714328385 1.4440188448981173 -0.4436889235463494 1.4440188448981173 -6.156668111802032" pbc="T T F" Pt -0.13449789 -0.21197381 0.22277084 44.01988614 59.93910434 -62.42258109 Pt 1.68584377 1.68362810 0.19581920 -56.39729885 -31.31022323 -60.52954834 Pt 1.64685009 0.42259636 1.67626233 -28.50873836 -18.96790774 46.34033688 Pt -0.14597521 1.70996341 1.49207130 40.88615107 -9.66097338 76.61179254