32 Lattice="6.583111010049834 0.0 0.0 0.0 6.583111010049834 0.0 0.0 0.0 6.583111010049834" Properties=species:S:1:pos:R:3:forces:R:3 energy=-51.90834448821942 stress="-0.013850332450356245 0.01598914202727662 0.01675128801041471 0.01598914202727662 0.005261284342270385 0.03995713022440152 0.01675128801041471 0.03995713022440152 -0.010449085783511464" free_energy=-51.90834448821942 pbc="F F F" H 0.00932798 0.00294471 0.00910360 0.93681938 1.03406134 0.95980481 Pd 1.64637205 1.62505597 0.00760567 -0.08290274 -0.79471836 -3.48387805 Pd 1.66409860 0.00068868 1.63620849 -0.16798509 -5.28003797 -2.74000765 Pd 0.02564925 1.62925399 1.64422198 -3.49628952 1.81166669 -0.24864819 H 3.27888992 0.01847185 0.01170916 0.14220011 1.24663800 1.16618510 Pd 4.90857405 1.66552170 0.02983298 1.02843359 -0.26200613 -0.66659779 Pd 4.95468279 0.01913204 1.63378312 0.64754950 -0.49923281 0.23703229 Pd 3.30430340 1.67820515 1.65258608 2.38737146 0.92030179 -0.36228548 Pd 0.02869008 3.28931054 0.00621722 1.03563573 2.10499503 1.12107045 H 1.63566307 4.95321885 0.03346420 -0.02105886 -0.94331936 -0.27376971 H 1.64257382 3.26114592 1.65946260 0.33923986 -0.84597934 -0.18635796 H 0.01966645 4.96274700 1.64846243 0.42710804 -0.40554562 0.23445452 Pd 3.34189874 3.29764637 0.03214460 -0.16456849 4.17671152 0.03896576 H 4.93324036 4.91344568 0.01197976 -0.57210055 -0.58965016 -0.06955403 H 4.96033142 3.28197844 1.65074324 -0.91759039 -0.96847928 -0.59285814 H 3.27957605 4.95928388 1.63139222 -0.61611124 -0.51687106 0.73671479 Pd 0.00102803 0.02957181 3.31666660 -1.90842055 -0.93212666 1.36058683 Pd 1.64904633 1.65410768 3.28384682 -2.04167564 4.47252751 3.98637023 Pd 1.70259320 0.01233957 4.91566220 0.05130024 0.35952330 2.00366152 H 0.00891119 1.66101605 4.91458251 0.82595793 -1.10028726 -0.77902906 Pd 3.30642452 0.00910687 3.30832462 2.37059574 -2.02726556 1.71639250 H 4.90475464 1.67443374 3.28952275 -0.51539853 -0.49740560 0.19748960 Pd 4.96909557 0.02090480 4.91601303 -0.60393899 1.75271588 -0.62919645 H 3.29640626 1.66183687 4.90965650 0.07259471 -0.45727804 -0.54226687 H 0.03687546 3.28538241 3.28116434 0.39282375 -0.32176491 -0.62189551 Pd 1.63507047 4.95704016 3.25220645 -1.07229962 -1.36686898 -0.44394335 H 1.65212080 3.34786635 4.91466389 0.67806184 -0.05310785 -0.93473239 H 0.01195826 4.91555138 4.92325604 0.52805030 0.17632099 -0.61544192 Pd 3.32342809 3.29060963 3.27565360 1.89789274 2.30240828 0.93834068 H 4.92057252 4.92040506 3.30875901 -0.32809003 -1.00903146 0.55159669 Pd 4.97020896 3.32032688 4.96271809 -1.19769790 -0.63647860 -1.21380125 H 3.27953474 4.96642229 4.91879465 -0.05550680 -0.85041533 -0.84440197