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=-45.33558576894665 stress="-60.12741598731586 5.5289302413854635 -8.537796171751385 5.5289302413854635 -47.11318823549264 -7.222203313443387 -8.537796171751385 -7.222203313443387 -57.14122450326658" pbc="F F F" Pd 0.25911890 0.19019325 0.19877714 1.48523857 -3.83930245 -2.98092013 H 1.60881314 1.63250256 0.10031152 -0.58241301 -3.65488216 -6.61482827 H 1.51933549 -0.02305031 1.28011711 -1.32327380 -1.47125571 -1.12584531 Pd 0.13572127 1.55791531 1.23387496 -3.64313313 6.01180866 -1.36485388 Pd 3.08501927 0.11133869 0.00693356 -1.35532787 0.16882524 1.97637857 Pd 4.66501753 1.72580078 -0.07133680 2.59361660 -1.20164651 1.16115806 H 4.64089163 -0.00044125 1.66907256 -0.63652080 1.03389811 -0.10755954 H 2.78832891 1.75980354 1.36568434 3.74560930 -3.18878958 2.85559924 H 0.27143892 2.90295338 0.10338854 -6.30720538 2.22487617 -5.31385972 Pd 1.74759167 4.61018303 -0.15669158 -2.67414708 1.39542812 -1.19234614 H 1.24663523 2.98702489 1.44857885 4.45509127 3.32253683 2.03073907 Pd 0.18843096 4.67061300 1.79169807 0.66446112 -1.78602425 1.06757027 Pd 2.96863002 2.94630638 0.03851086 -3.08575438 -4.24570547 -1.88276449 Pd 4.64982991 4.24795387 0.06142324 2.37812115 1.05736688 -0.00390988 H 4.28747849 2.89476746 1.37993804 3.77229087 1.34641931 -2.15785480 Pd 3.03390402 4.32464588 1.76008946 0.51535129 2.26091479 4.53147687 H 0.05547449 -0.17769535 3.47565481 -0.83438407 0.80991831 -0.38596192 Pd 1.25346517 1.23623439 2.77715687 3.40745209 0.67351518 -3.26556093 Pd 1.19298514 -0.06801106 4.32743118 1.35109887 -8.67174579 2.82055040 Pd -0.20453718 1.20940621 4.61893942 -5.01263146 1.67796469 1.22521749 H 2.51310104 -0.14885090 3.03926819 0.91949184 0.51375922 2.00590878 Pd 4.57638458 1.59566688 3.12528982 0.83880976 3.06774747 -3.78320140 Pd 4.62033173 0.17828948 4.50244643 1.27117416 -2.76155579 1.10314756 Pd 2.79301824 1.23241985 4.57255377 3.29146653 0.71925873 2.84550475 H 0.25468509 3.01258782 2.88067672 -4.34831411 -2.75534485 3.88498488 H 1.22192182 4.62365747 2.95588739 0.93260332 3.67526084 -1.12902705 Pd 1.45297513 2.84681875 4.51988023 -1.07527372 6.54363795 0.37744828 H 0.19541046 4.29655237 4.73914197 0.19840123 -0.75161068 0.88178122 H 2.89910023 3.31983475 2.75818085 -1.56861181 -3.36872437 -0.41836221 H 4.59119645 4.29640878 3.21456242 2.90834410 3.00392467 -3.22980853 H 4.70502395 2.85263676 4.39715813 0.18491791 -3.74465717 1.24301579 H 3.00557811 4.28734838 4.26192411 -2.46654937 1.93418365 4.94618299