32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=169.66194182167678 stress="-783.4583073730042 20.81904719468062 -29.159262149162544 20.81904719468062 -749.3968448349265 -42.10489660111182 -29.159262149162544 -42.10489660111182 -796.3214041729095" pbc="F F F" Pd -0.14459490 0.11115480 0.11044915 -6.80019334 -27.84993583 -21.82838064 Pd 1.70960170 1.31143450 -0.16166483 -7.68465195 9.40018420 -18.44771828 Pd 1.32198775 -0.16490224 1.66640352 10.55638590 -22.54958731 -11.81619093 Pd -0.22187219 1.51878885 1.05164101 -15.45258324 19.56422553 16.86435452 Pd 2.84054841 -0.04105180 0.20259391 7.06096220 -25.18221279 -8.68685236 Pd 4.56504129 1.11449487 -0.13449789 10.53628932 5.65895501 -13.00198460 Pd 4.28802619 0.22277084 1.68584377 15.90867123 -49.77393843 -41.09100836 Pd 3.18362810 1.69581920 1.64685009 -14.29949641 -10.66435138 -7.59294847 Pd 0.26959405 3.17626233 -0.14597521 -17.96695911 -21.82719067 -44.70931476 Pd 1.70996341 4.49207130 0.15300231 -3.42665038 38.07256488 -38.66036131 Pd 1.53848316 2.95774659 1.17411873 -12.14221913 -26.34058322 19.21819720 Pd -0.04210664 4.38825682 0.97220075 -26.47251294 32.76799301 22.24907672 Pd 3.19178619 3.17895518 0.29140871 -4.41344611 -30.18699358 -72.36295652 Pd 4.61455359 4.53253581 0.14904689 17.88695629 25.52938510 -22.85507702 Pd 4.28091226 3.40484120 1.46603997 66.01391582 -19.71572808 23.84031491 Pd 2.80598025 4.32157598 1.51361598 -2.44991633 61.26283805 24.02539363 Pd -0.14801295 -0.02432459 2.83620898 -28.66696562 -12.46696531 3.14704978 Pd 1.31835629 1.27846858 2.85588087 6.05004113 19.60807275 3.85924573 Pd 1.34126820 -0.15859300 4.31668137 3.25611713 -22.18539134 12.17226278 Pd -0.08013605 1.24396547 4.59073906 -12.02407665 8.19522713 10.25664533 Pd 3.27219963 -0.06618674 3.13132919 -19.08206538 -20.60590502 15.21502876 Pd 4.75978669 1.22592512 2.78504734 37.26910585 37.47138187 32.63914247 Pd 4.68365717 0.26124257 4.58343331 6.98713281 -3.69006843 14.27907174 Pd 2.54231040 1.43002885 4.72094491 7.35386669 4.28736425 11.81940432 Pd 0.23171545 3.18190327 2.74185363 -23.55996111 -7.11407053 -0.31475771 Pd 1.71219253 4.42485375 3.12990665 -12.48865294 36.50902385 -14.54192377 Pd 1.28220450 3.28278197 4.56210000 16.08387352 -49.87899730 23.52488019 Pd 0.13362859 4.32702941 4.57034430 -44.47902757 37.74460518 10.19115429 Pd 3.04852473 3.05473499 2.91561068 -11.32391063 -18.98183668 15.29460356 Pd 4.63661615 4.40480033 3.07789707 18.92223260 30.76156633 -1.99941365 Pd 4.29869006 3.11041876 4.26735611 24.84007333 -23.69872962 29.74007999 Pd 2.83533445 4.24148635 4.58611608 14.00766502 25.87909840 29.57298245