32 Lattice="54.305782318115234 0.0 0.0 0.0 54.305782318115234 0.0 0.0 0.0 54.305782318115234" Properties=species:S:1:pos:R:3:forces:R:3 energy=-100.9909389503726 stress="-3.700728061901169e-05 1.6333703897849602e-05 -2.911790202371183e-05 1.6333703897849602e-05 -8.798662481963817e-05 -2.248000945377786e-05 -2.911790202371183e-05 -2.248000945377786e-05 -8.870697077739177e-05" pbc="F F F" Pd 27.03239540 27.24552016 27.24493212 0.70971458 -0.69140746 -0.66842512 Pd 29.26705147 28.96332197 27.01817046 -0.61383977 0.33563037 0.83500544 Pd 28.93762114 27.01547263 29.20939519 -0.01252356 0.46642411 -0.30878036 Pd 26.96799767 28.87745451 28.91913245 0.63710453 1.16604951 1.17093883 Pd 30.85073351 27.11868132 27.32171941 0.60124592 0.25383608 0.44525214 Pd 33.02556891 28.64593055 27.04080959 -0.98317470 0.12750304 0.78976788 Pd 32.79472300 27.33853352 29.24725319 0.54462613 -3.80380391 -4.42427453 Pd 31.18489903 29.25556605 29.21475846 -3.56308000 -3.31975600 -0.93939956 Pd 27.12904014 31.42771777 27.03124515 -0.09362061 -1.74876112 -1.39004955 Pd 29.26735289 32.77551868 27.28039308 -1.42775775 2.11302113 -2.43339046 Pd 29.12445268 30.99666443 28.92523625 -1.08545643 -2.15389426 0.90008745 Pd 27.11780229 32.76272068 28.94969286 -0.08162422 2.13975832 0.76982380 Pd 31.19169743 31.18100493 27.39573175 -0.24388094 -1.60466081 -4.77368853 Pd 33.06682916 32.99848102 27.27709690 -0.93147984 -0.87868450 0.80119949 Pd 32.78879472 30.90900003 29.06408336 5.61632443 2.44273149 1.24454896 Pd 30.87019248 32.82268115 29.10373004 2.12762264 2.95288371 1.91558769 Pd 27.02954704 27.13262067 31.06957026 0.82096007 0.93239494 0.33506932 Pd 28.97361094 29.07502556 30.78016217 -0.04711799 -0.45527727 1.26598575 Pd 28.87748327 27.02073032 32.81688187 -0.16168118 1.49642867 -0.83872745 Pd 27.08611111 29.11391493 33.04698372 1.36733962 -0.49566438 -1.30039113 Pd 31.25870863 27.10607881 31.14131661 -1.14300713 0.49220127 1.71521938 Pd 33.18785674 28.86398766 30.85274839 0.98544213 3.12143233 4.42727413 Pd 33.12441547 27.32196385 33.04089559 -1.20140863 0.87733171 -1.16166917 Pd 30.84886513 29.13387984 33.15548860 0.16445444 -0.32874667 -1.33934669 Pd 27.34598737 31.18346167 30.78168280 -0.63322599 -1.61510216 1.29610914 Pd 29.26921049 32.90874596 31.14013116 -0.39167464 1.11792054 -0.77727918 Pd 28.91088714 31.26752726 33.02311784 1.84523082 -4.24686429 0.73872786 Pd 27.26424832 32.82722568 32.79585797 -2.59151019 2.39453784 -0.03807685 Pd 31.07231289 31.07748810 30.96155118 -0.83887904 -0.58068840 1.61783701 Pd 33.08521462 32.89272313 31.13473896 -0.45261237 0.99835163 -1.26909417 Pd 32.92279623 31.12389125 32.65665537 0.09201993 -1.74724150 1.53548414 Pd 30.89465432 32.75593980 33.13515506 0.98546978 0.24211604 -0.14132569