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=-29.40532824448978 stress="-0.5340695040993418 -0.04142606809795184 0.05919651114933737 -0.04142606809795184 -0.4691553030539688 -0.004381254539115004 0.05919651114933737 -0.004381254539115004 -0.2870761315451966" free_energy=-29.40532824448978 pbc="F F F" Pd 0.05354538 0.33897723 0.01477119 -2.19191396 -1.72789285 1.82165264 Pd 1.75488389 1.34125301 0.00601457 0.11874215 0.30984354 -4.43382460 H 1.20763472 0.12771106 1.27521450 2.71116467 -5.06794830 -3.05499997 H 0.02805905 1.28502229 1.64120549 -7.67386246 6.42807972 -6.59373050 H 2.71562917 0.31671845 0.22244074 3.22893534 -0.95635521 -1.53974141 H 4.62178682 1.44421856 0.46253461 -0.00111727 -1.56728116 0.39402889 Pd 4.51635763 0.04797327 1.59956620 2.74315840 -1.09035494 0.60048536 Pd 3.00723660 1.22549673 1.55794091 -0.06794872 0.08849996 3.70041968 Pd 0.12784938 2.93372255 0.23666665 -5.16428098 -6.65772886 -2.71530574 Pd 1.23656475 4.35025269 0.01942903 3.86647285 6.33032148 -4.35830644 H 1.79417082 3.20408111 1.51855009 -9.86296131 -14.56505456 -3.73654290 Pd 0.03691384 4.20677130 1.57736569 -2.75529233 3.47432163 7.91360504 Pd 3.22577322 3.42383274 0.24429355 -1.18857190 -4.05097641 -1.95804143 Pd 4.50307399 4.50955493 0.28819433 4.28331974 3.70920578 -0.40877802 H 4.38803420 3.30241960 1.26740213 3.61551031 -0.46228333 0.91743640 H 2.81113270 4.23333983 1.46247704 11.53995444 14.10091480 -2.17661522 H 0.29119256 0.16188986 2.94564997 -4.94256958 -9.63321138 6.70385254 H 1.24841186 1.49214527 3.00795817 7.34579057 4.90228338 3.95179274 Pd 1.26680101 0.19215061 4.45294436 5.20909402 -3.91983070 -0.81541044 Pd 0.14995810 1.25491735 4.39127267 -5.14628722 2.82988514 -1.16206299 H 2.88290997 0.18360837 3.12919136 -3.19855569 -3.63278195 -4.88903085 H 4.45061547 1.36975542 3.14592855 2.35310858 7.85111538 -6.73145607 H 4.32706660 0.20359985 4.25068542 3.58662194 -7.10693580 7.38074330 H 2.72822113 1.27163296 4.65154029 -2.30918280 2.96573624 3.27410842 H 0.29811016 3.07473240 2.76010779 -5.11653801 1.40548764 2.00050603 H 1.49582161 4.55926218 2.72754451 -2.56558064 5.38984065 3.42911504 Pd 1.73715536 3.16066994 4.28209294 -0.26876522 -2.91413113 4.71848184 Pd 0.48797412 4.00176946 4.49125874 -4.99277803 3.98095644 0.29122374 Pd 2.99397598 3.07256528 3.16162860 1.55906418 -2.10800619 -4.33596961 Pd 4.52779622 4.36129912 2.70918501 2.48830846 3.18814643 -1.60775124 Pd 4.69236217 3.19322574 4.54313333 1.04892678 -1.65746975 2.14601668 H 2.60778637 4.34466757 4.39160259 1.74803371 0.16360432 1.27409913