32 Lattice="6.325080710870483 0.0 0.0 0.0 6.325080710870483 0.0 0.0 0.0 6.325080710870483" Properties=species:S:1:pos:R:3:forces:R:3 energy=-54.32358184582904 stress="-0.02040970951113192 0.007551091700518038 0.006480725403985138 0.007551091700518038 0.03286640342746399 -0.011435889644621805 0.006480725403985138 -0.011435889644621805 -0.039262189668288115" free_energy=-54.32358184582904 pbc="F F F" Pd 0.01790709 0.02547805 0.02242305 2.08070493 1.71386246 1.93704374 H 1.58137194 1.57145971 0.00237777 0.57195356 -0.28130116 -0.92612373 H 1.56179334 0.00265919 1.54380072 -0.24887427 -1.45467699 0.08856766 H 0.02731891 1.58623761 1.57576529 -0.84406290 -1.01673389 0.16252514 Pd 3.14068476 0.03320095 0.02360605 -3.32169596 0.22160616 0.60041116 Pd 4.71759188 1.61205813 0.03042678 1.98559204 -0.90157776 -2.34090556 Pd 4.76772126 0.02646764 1.58017644 1.14504467 0.05728225 1.68577893 H 3.14588145 1.57244459 1.56581200 1.37877338 0.20519680 -0.65738896 H 0.01817529 3.14702078 0.02671376 -0.07847851 -0.06196974 -0.05387733 H 1.57916457 4.75159304 0.03108049 0.81708087 -0.63519378 -0.15446636 Pd 1.56466296 3.16363302 1.58645247 -5.08861938 -2.28579092 -2.61918400 H 0.01484826 4.75622944 1.60772399 0.63563358 0.01742077 0.86080222 Pd 3.13463075 3.18207259 0.03022660 -3.25867575 0.66980542 -3.39422616 Pd 4.77112260 4.77123789 0.01454217 -0.14768761 1.36410673 0.14105310 Pd 4.71556329 3.14525334 1.55536441 3.58316762 -0.79894710 2.24922911 H 3.19396737 4.77170313 1.56437176 0.84859322 -1.02026435 0.61808144 Pd 0.01139450 0.01680653 3.13293469 1.08010136 2.18729454 -1.57459528 H 1.58400660 1.62066827 3.16545586 0.45484302 -0.43221703 0.73765042 Pd 1.57182402 0.02187224 4.72038779 -0.25665932 1.89900408 0.84571861 H 0.01220724 1.55787602 4.73427572 0.76724709 -0.90244466 -0.07654309 Pd 3.15336482 0.00841257 3.17567056 -1.18587066 1.31421988 -1.47737789 H 4.75943721 1.58334898 3.17302170 0.09882146 -0.94868292 -0.59009351 Pd 4.77156247 0.02213114 4.76436539 -0.45555822 1.79803874 -0.55548389 H 3.17674306 1.60118606 4.74536793 -0.75812772 -0.94134056 0.12666495 H 0.01500419 3.16280999 3.17153462 0.71086954 0.49187441 -0.11726293 Pd 1.60925246 4.73643155 3.14795716 -2.05301674 4.68600848 0.19995136 Pd 1.56415760 3.16430865 4.72601641 -2.05709053 -2.03629634 2.38846318 H 0.00143005 4.72112627 4.71316400 1.14509578 -0.28844342 -0.23928168 Pd 3.13657950 3.13773484 3.15744968 3.17998650 -3.90311137 2.84394255 Pd 4.76128831 4.72545075 3.18086741 -0.13742835 1.15532542 1.37252052 H 4.74984222 3.19401965 4.74285188 0.29438304 0.56053979 -0.70263567 H 3.17983541 4.71181677 4.72554438 -0.88604574 -0.43259393 -1.37895805