64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=31623.777247813192 pbc="F F F" Pd -0.12722332 -0.03494626 -0.04961800 46 -374.73838403 -408.53058278 -274.73408421 Pd 1.04019252 1.23609949 0.80557452 46 -5169.40286520 -3407.99276854 3760.71821761 Pd 2.20904931 2.04182552 0.07052450 46 5529.23094833 3808.79989174 -3500.48616612 Pd 3.68381999 3.26504287 1.48811459 46 11.65329999 14.59689172 12.54023499 Pd 1.95834747 0.09548838 2.93949073 46 -161.14568310 -29.18828594 -53.34210041 Pd 3.92937756 0.45925398 3.58369490 46 -130.62775797 203.24137977 -311.95838398 Pd 0.42015426 3.35947490 2.93092402 46 -3792.66585367 -1155.07462778 -4386.05324234 Pd 1.45850956 3.66337072 4.14967195 46 3575.76176249 1114.48314653 4412.45544933 Pd 5.10689773 0.72234949 -0.08211677 46 -572.77402236 -290.65407512 -470.12669619 Pd 6.46010395 1.41188368 1.04621112 46 -12163.62848979 -11234.78995297 3685.66817915 Pd 7.00470165 2.44871840 0.15990083 46 8586.15684977 16358.25932423 -13984.58234550 Pd 8.87407606 3.79924419 1.11894068 46 101.81698166 -181.62137605 -201.71686439 Pd 6.96981243 0.81656862 2.37097020 46 4151.26646566 -4856.48696862 10755.11105260 Pd 8.54603549 1.21135424 4.37074637 46 3136.33175265 -7609.41328973 -616.63293051 Pd 5.59035251 2.63222134 3.05147563 46 -621.49306142 -434.89496213 -313.33808721 Pd 6.96588880 3.67258023 3.81304116 46 -6532.09622159 7674.87792919 -4558.18751249 Pd -0.06281457 5.04133318 0.05302590 46 -189.73945936 -256.17028737 -122.41493806 Pd 1.06335057 6.53642390 0.78516839 46 -19017.61653486 -10160.34672831 9856.73819265 Pd 2.23961980 7.17311036 0.18724150 46 19190.95970528 10360.63257863 -9797.24450021 Pd 3.37067491 8.72975571 1.39315055 46 18.73843867 40.73113707 28.43420647 Pd 1.84115149 5.04106587 2.58056485 46 82.51293012 154.05586214 -117.93505190 Pd 3.93042259 6.51584449 3.88637235 46 230.00447718 -326.34628979 -176.11633655 Pd 0.36317699 7.87605153 2.55711547 46 -1842.57516926 -657.98483553 -3202.06982813 Pd 1.18163406 8.17836168 3.99852912 46 568.40563144 970.84100102 2584.58128182 Pd 4.53539821 5.23858395 -0.39234684 46 -249.00991158 -108.06144462 -351.64051746 Pd 5.63300780 5.71848319 1.17503263 46 251.89445159 76.04928368 338.57407596 Pd 7.13369293 7.37320152 -0.34034789 46 -11.77744775 -7.28433940 -5.97716889 Pd 8.94858099 8.50557345 0.87695612 46 9.50405897 5.64729565 9.34508169 Pd 8.21196413 5.08051249 2.54930856 46 -157.85141643 88.08670779 -20.52800070 Pd 8.93695457 6.16835067 4.13141072 46 132.31108767 103.75307631 155.21849159 Pd 5.33003328 7.62678591 2.49443771 46 -30.23983266 17.88137287 -54.10479789 Pd 7.07994832 8.46187025 3.54561669 46 54.15755116 84.01969994 -41.64528555 Pd 0.35745980 -0.08590784 4.98102023 46 -47.87024350 -114.62466194 -128.04279602 Pd 0.90234804 1.25647316 6.50345018 46 1748.66572346 -1570.73736090 -1878.15324141 Pd 2.88909560 2.46809192 5.05584984 46 -168.03941816 -338.01999975 -189.82880703 Pd 4.20673963 3.32523561 6.23017568 46 -13658.12938358 25074.16197604 -28655.61918553 Pd 2.93510777 0.08317882 7.05388439 46 -0.45348436 -44.29284256 -46.74919829 Pd 3.66082601 1.41184405 8.72531375 46 -72.42565357 -53.93860535 178.48790959 Pd -0.03185475 2.18159512 7.59434091 46 -1773.27162233 1613.00074868 1932.53502666 Pd 0.95801115 3.67623754 8.78822167 46 -209.81295360 -28.78433992 264.75585833 Pd 5.09321973 -0.21028353 5.00678270 46 -11680.86763739 -27419.25901537 -13415.80827219 Pd 5.61551579 0.97800532 5.60764660 46 11978.64033116 27247.05913601 13753.53867043 Pd 7.94255101 2.67578151 4.49045710 46 3956.66370097 345.39956526 5537.73310412 Pd 8.97502088 4.32132750 5.90917925 46 402.24329306 -135.55277876 -234.75196689 Pd 7.37656773 -0.01798384 6.99916121 46 -446.32084802 -915.23269420 -1439.47663562 Pd 7.83607098 0.90083080 8.45674539 46 456.01848139 908.59743585 1442.76556414 Pd 4.69051756 2.46356789 7.23190872 46 14059.81236596 -24782.73695023 28821.76791963 Pd 6.76651964 3.17937139 9.13286289 46 -3.47411383 4.52525112 -2.39612380 Pd -0.25407814 5.03691003 5.30863375 46 -17.24830521 -0.42252110 -8.70249087 Pd 1.18207481 5.91616103 7.05209321 46 47.04058081 -42.98268452 -94.24226317 Pd 2.76002449 7.80968097 4.80256244 46 989.64240172 -9.99696758 834.16897267 Pd 3.68665940 8.60063573 6.85412968 46 -17939.95571076 12762.67139661 -19427.84698410 Pd 2.48901133 4.34090659 7.67600599 46 345.33962695 15.28719076 -151.37593237 Pd 3.90135177 6.08586529 9.08674502 46 -6.42088627 -20.00437858 13.04637425 Pd -0.01989034 7.48100903 7.72418085 46 -14876.83524874 -17166.73505746 -10038.29533899 Pd 0.84605773 8.49712622 8.31691164 46 14762.52717952 17317.85530118 10101.23581643 Pd 5.46311085 5.25626326 5.65638625 46 -1447.33869739 -1396.76272709 -716.79267488 Pd 6.64317927 6.42932372 6.22531252 46 -10327.29117495 -9705.67950786 11910.97117972 Pd 7.46609139 7.31970926 5.37005036 46 11186.81519383 12111.92671095 -11578.72704199 Pd 8.83637031 9.01558151 6.09255053 46 26.65854509 32.84717954 14.17085925 Pd 7.39550443 4.90759862 6.90844799 46 147.41037113 -898.25590996 735.75822392 Pd 8.59229709 6.50574190 8.94051056 46 -2.43038995 -0.37963374 -3.19996470 Pd 4.56785473 7.97435278 7.80900447 46 17396.35270801 -13106.15959749 18954.43354152 Pd 5.85271652 8.81754569 8.90328067 46 561.03098699 366.11057876 476.09027201