64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-85.77445538630296 stress="-9.991396323296144e-05 -2.7246157457971462e-05 -3.5287226907581804e-05 -2.7246157457971462e-05 -9.200810896707393e-05 -0.00014605980343201965 -3.5287226907581804e-05 -0.00014605980343201965 -6.682590404683368e-05" pbc="F F F" Pd 35.09396086 34.86895198 35.42455588 0.42754960 -0.44222033 -0.12794428 Pd 35.47237331 36.57664781 36.71420824 0.92955618 -0.20747655 -1.68323672 Pd 37.46710492 37.42167700 35.10220446 -1.22307707 -0.78365467 0.70837424 Pd 39.05797572 38.66351463 35.92839442 -1.73319177 -1.23330793 2.92087649 Pd 37.04678676 35.19057203 37.47959309 -0.03310158 -0.42576269 -0.89940625 Pd 38.31799019 35.89525559 39.09095819 -0.42467698 -4.01999844 -1.93956544 Pd 34.85311580 37.83003905 38.04824029 -5.00769303 -0.07103289 1.59352026 Pd 36.37548623 38.60566502 38.35533903 3.88771789 1.60191297 1.42677175 Pd 39.91489227 35.01654600 35.44479542 -2.05753753 -0.59479936 -1.36854638 Pd 40.85744518 35.96361660 36.74231885 3.08570449 -3.44538570 -0.30986576 Pd 42.92712754 37.81278576 35.36047368 -2.23790370 -4.02070656 -0.93182882 Pd 43.35378625 38.96845944 35.87434930 1.81144326 2.90308381 0.66363728 Pd 42.84793362 34.72407076 37.48918047 -1.42329771 -0.86052746 -0.88553077 Pd 43.77000943 35.97457962 38.49058873 1.08155656 1.26586074 -0.03134387 Pd 40.36227854 37.44883672 37.43888509 -4.01242096 0.43154639 -0.97727889 Pd 41.11661188 38.44057059 38.53458290 2.95886852 2.05039263 3.32390823 Pd 35.22249759 40.46497245 34.87464005 -0.08160318 -0.97649962 -1.10685259 Pd 36.03730258 41.08715790 36.61372212 -3.40719187 1.25013417 0.33738149 Pd 37.11126286 42.18254066 34.81531496 -0.05066831 -0.91400230 -0.59260082 Pd 38.30000644 43.39697157 35.98203926 -0.25366000 0.32596515 0.68877104 Pd 37.55682238 40.42903887 37.25881642 1.27403387 -3.79456939 -2.65029656 Pd 38.54310740 41.05522726 38.27976704 3.94776549 0.52502833 3.28851464 Pd 34.58905584 42.57359302 37.13339181 -0.55902736 0.26229466 0.05949905 Pd 36.10135932 43.66529812 38.23721330 1.39751412 -0.89137837 0.18546003 Pd 39.75979155 39.67723384 34.73873431 1.62157053 2.48316346 -2.88555365 Pd 40.81987063 41.56577595 35.76626284 -0.60992139 -1.22825067 0.44464618 Pd 42.41445021 42.66327568 35.05179947 0.60563294 0.04637981 0.39374833 Pd 44.00952489 44.21111631 36.36524432 -0.53179411 -0.48923275 0.60658145 Pd 42.33112972 40.04163954 37.43171700 -1.27997291 1.73818039 -0.19314578 Pd 43.33004603 41.17291825 38.99551268 0.62697580 -0.97621636 -0.35266188 Pd 39.89878546 42.78489687 37.44629530 0.39268552 -0.38828272 -0.22710823 Pd 40.69023222 43.97074624 38.82023254 0.86846000 0.39449988 2.02953352 Pd 34.75522559 35.40429937 39.97975650 0.69537382 0.65698046 -1.14723084 Pd 36.35299683 36.21836453 41.60886605 1.12276599 -1.70124467 -1.54286883 Pd 38.22735112 37.44237275 39.86531311 -1.12769380 4.13247995 1.64548883 Pd 39.02221949 39.08737120 41.35231780 -0.41425978 -0.79952439 2.35101240 Pd 37.71178520 35.02776773 42.41501309 0.22396327 -4.26201301 -1.88103873 Pd 38.56677778 36.01917747 43.40309958 1.40120288 2.51187435 2.94994866 Pd 35.42311431 37.55253863 41.68589154 -2.56313183 4.64809940 -0.20862721 Pd 35.95872728 38.67410853 44.05607962 0.78152494 0.32787886 -1.08437406 Pd 40.35603343 35.25949199 39.79273725 0.72155734 -1.93687404 -1.23759546 Pd 41.17709151 36.69742274 41.13761442 1.98460157 -1.54941729 0.51459236 Pd 42.64954043 37.05029493 39.97986859 3.13211629 1.63530803 -1.09322563 Pd 43.75641920 39.15944301 41.71070628 2.43844627 -1.15013803 -1.37678010 Pd 42.75238673 34.89339015 42.87229896 -2.48629459 -0.30316308 -1.39519214 Pd 44.02972348 35.82623522 43.38320105 1.05916626 2.21553524 -0.00277389 Pd 40.05114769 37.30504928 42.24070894 -2.32536772 1.16740163 4.41178578 Pd 41.61619488 38.70357994 43.80693050 -0.66579527 -1.31963631 1.83313649 Pd 34.86516697 39.96179051 40.46435681 0.41836235 -0.73843550 -1.71021926 Pd 35.75374871 40.85761187 42.14239194 -1.81240523 1.20209565 0.68497399 Pd 37.91444697 42.50592154 39.79501545 -0.84585736 0.79514868 1.59947756 Pd 38.54814022 44.06878527 41.54123165 -0.96162215 -0.21081116 -0.55194130 Pd 37.44645137 40.01581124 42.09921688 0.49657350 0.09820678 1.04900712 Pd 38.29673779 41.18506377 44.16221134 0.14085089 0.24319146 -1.29091700 Pd 34.98578387 42.78227015 42.88456266 -3.22826861 -0.80404260 -1.17708506 Pd 36.27153045 43.39286596 43.35421160 4.38210788 0.89592021 0.70866098 Pd 40.17116535 39.84136491 40.02646854 2.05795463 2.06029009 -2.71092058 Pd 40.79220907 41.81467846 41.02778404 -0.28049587 -1.88749747 -1.85820753 Pd 42.63423686 42.62245546 40.27312393 -1.08985713 -0.02704797 -1.06533387 Pd 43.64968128 43.81189841 41.07669840 1.07497089 1.48781339 1.65693763 Pd 42.07683866 39.67605562 42.21212350 -2.64183500 2.77190054 -1.55053457 Pd 44.14804483 41.31203326 44.16945808 -0.84922879 -0.02691434 -0.84030579 Pd 40.11876467 42.86879320 42.46959328 -2.77783097 0.22850514 0.45273714 Pd 41.00512234 43.26305604 43.87133246 1.94811006 0.12299236 2.35895560