108 Lattice="11.37055174176057 0.0 0.0 0.0 11.37055174176057 0.0 0.0 0.0 11.37055174176057" Properties=species:S:1:pos:R:3:forces:R:3 energy=-337.2589567349258 stress="-0.007553768138430106 -0.0008338933600701724 -0.0014122799557227878 -0.0008338933600701724 -0.00831343894628642 5.9929321440112166e-05 -0.0014122799557227878 5.9929321440112166e-05 -0.00803682487075558" free_energy=-337.2589567349258 pbc="F F F" Pd 0.02230420 0.01349456 0.02456806 0.57971272 0.64374256 0.58233281 Pd 1.90423921 1.93354917 0.01079545 -0.14215947 -0.15144115 -0.33730836 Pd 1.92920619 0.00686264 1.85768041 -0.26950502 -0.13079597 0.24705669 Pd 0.00573452 1.93282250 1.91889862 -0.33149893 -0.38357859 -0.34205444 Pd 3.76254762 0.01736077 0.00659528 0.20436612 0.35788101 0.26068581 Pd 5.71303968 1.90156487 0.01851042 -0.18439669 -0.23789211 -0.65037492 Pd 5.71990195 0.01567628 1.89639370 -0.10134895 -0.34672321 -0.18730041 Pd 3.79185526 1.92818367 1.88485160 0.19062697 -0.40500618 -0.09537425 Pd 7.63234085 0.02678158 0.00461307 -0.19363237 0.30241143 0.29367208 Pd 9.50580850 1.87988475 0.03404700 -0.41809121 0.11460592 0.24133591 Pd 9.46477969 0.00384956 1.87347619 -0.38300371 0.40130941 0.21363970 Pd 7.55283368 1.91014526 1.86650141 0.48187579 -0.21340532 0.31715197 Pd 0.01621880 3.81159707 0.01246490 0.21878910 -0.11864623 0.23151302 Pd 1.86548450 5.71175838 0.03269517 0.23579940 -0.17732022 -0.54755610 Pd 1.89253848 3.76981888 1.92266979 0.11788031 0.35765285 -0.41355084 Pd 0.02952863 5.65561079 1.91242385 -0.53067808 0.28945711 -0.17584214 Pd 3.82477740 3.82323738 0.01112302 -0.50104559 -0.32546122 -0.75343627 Pd 5.68428555 5.64854399 0.00063473 0.28105161 0.50535155 -0.59824532 Pd 5.69034267 3.80241251 1.86089249 0.24760572 -0.15517649 0.45585786 Pd 3.80127081 5.65491136 1.87728267 -0.26867185 0.31295604 0.26344437 Pd 7.58817232 3.81517364 0.00767941 0.23989918 -0.21525877 -0.68112934 Pd 9.50949883 5.67710663 0.00107342 -0.37787576 0.11714328 0.29056504 Pd 9.44306408 3.75811462 1.86304481 0.57763345 0.20906725 0.21254519 Pd 7.61014318 5.68905564 1.87676688 -0.12801162 0.14799694 0.14570862 Pd 0.00626061 7.54569426 0.02616978 0.30631164 0.16098212 0.40011879 Pd 1.92395982 9.44227939 0.00797236 -0.07783780 -0.40081594 0.33825577 Pd 1.92131149 7.58749339 1.88656915 -0.24351400 0.25718886 0.07755816 Pd 0.00648693 9.45453653 1.88725647 0.56931917 -0.43780289 0.09716630 Pd 3.83324286 7.56069310 0.01403973 -0.20611836 0.11996625 -0.52991178 Pd 5.65347756 9.50759038 0.01011499 0.29160823 -0.39409006 0.24534609 Pd 5.66695240 7.59060037 1.91262729 0.44793931 -0.16213206 -0.30213339 Pd 3.82027207 9.48252045 1.86042509 -0.39906087 0.45047725 0.12024083 Pd 7.55611322 7.57410347 0.00233048 0.11610698 0.13123336 -0.24470193 Pd 9.48005495 9.48658711 0.03192079 -0.53812767 -0.64011266 0.47942931 Pd 9.46304631 7.56341569 1.88784773 0.44444220 0.19172157 -0.22446852 Pd 7.61153271 9.47818252 1.86172406 -0.23805490 0.24534407 0.05253005 Pd 0.02249326 0.02960212 3.77800967 0.25229632 0.24398083 -0.14507311 Pd 1.89445683 1.91538346 3.77470149 -0.08823693 -0.44370639 0.20477941 Pd 1.86298518 0.02720469 5.67250639 0.20969610 -0.50221848 0.01970103 Pd 0.01367886 1.88905240 5.70966028 -0.53924756 0.12749988 -0.16697809 Pd 3.84036205 0.03735218 3.76015266 -0.34924942 -0.41008604 0.14541734 Pd 5.71698804 1.92778828 3.82510784 0.03653528 -0.41186920 -0.51589414 Pd 5.72388329 0.01994623 5.65871911 -0.10748638 -0.39450607 0.23766963 Pd 3.76298999 1.91509532 5.70973764 0.11971320 -0.52048642 -0.17457459 Pd 7.59407705 0.00542200 3.79521032 0.10711931 -0.21858060 -0.21714604 Pd 9.47929660 1.89734623 3.76799914 0.22043888 -0.05320362 -0.09051948 Pd 9.44250017 0.03425621 5.66358697 -0.10753785 0.13910696 0.13173410 Pd 7.61567405 1.92976054 5.71821610 -0.14417529 -0.42317939 -0.21199100 Pd 0.01566100 3.81363757 3.76322797 -0.65034874 -0.16793473 0.39189256 Pd 1.90852089 5.71493641 3.82436490 -0.13164839 -0.31798171 -0.53304182 Pd 1.86237018 3.82625409 5.70246367 0.06207557 -0.48891416 -0.27739187 Pd 0.00882070 5.66517904 5.71447509 -0.76914066 0.36148491 -0.25569643 Pd 3.80360927 3.76959312 3.82486292 -0.35873280 0.15193986 -0.38944569 Pd 5.66785901 5.64837281 3.81982348 0.33255257 0.61481760 -0.45113975 Pd 5.66976179 3.76140164 5.67158177 0.30282316 0.27794648 0.76727185 Pd 3.79143049 5.70072214 5.69171683 -0.08827807 -0.17369972 0.23209848 Pd 7.59319241 3.82755527 3.82109200 0.30280039 -0.35935854 -0.57099260 Pd 9.50675246 5.71530272 3.79312890 0.40924394 -0.23047006 -0.17934624 Pd 9.46689002 3.77046793 5.70597794 0.77078106 0.16896120 -0.10701609 Pd 7.61115440 5.67913344 5.66496632 -0.09243300 0.38490291 0.34481045 Pd 0.00383482 7.54950765 3.75723811 -0.27703601 0.43125121 0.15447152 Pd 1.93160076 9.51227328 3.82680136 -0.44853988 0.18138144 -0.49619616 Pd 1.90794000 7.57772689 5.64930340 -0.42273638 0.28653015 0.55077204 Pd 0.03530684 9.45510826 5.72605949 0.28008619 -0.32450287 -0.10794388 Pd 3.77485614 7.59046483 3.78510063 0.13567706 0.05374969 -0.20217324 Pd 5.64861574 9.44073350 3.77211339 0.39392944 0.66128729 0.15693011 Pd 5.65148029 7.56120999 5.71953952 0.54455115 0.29259831 -0.55885750 Pd 3.77012713 9.47373389 5.68425732 0.11219013 0.61769932 0.11354560 Pd 7.60687094 7.61741693 3.76932823 -0.33176278 -0.27300852 0.11192358 Pd 9.47082968 9.44463122 3.78536076 -0.17737846 -0.08099360 -0.05487701 Pd 9.49087995 7.58471808 5.66189576 0.33364440 0.01329932 0.32916222 Pd 7.56797879 9.44181818 5.70467988 0.10580487 0.49927548 -0.16751396 Pd 0.01747302 0.03088870 7.60959530 0.27118870 0.25826139 -0.12771545 Pd 1.88734304 1.91203887 7.56052082 -0.07127650 -0.26860947 0.53170619 Pd 1.86523115 0.01904482 9.46523301 0.25410794 0.42101613 -0.44004826 Pd 0.01134862 1.91175571 9.45475810 0.37500771 0.08697802 -0.30201909 Pd 3.80825275 0.02317947 7.54638277 -0.20646919 -0.37496470 0.32534839 Pd 5.70525245 1.88037658 7.61629582 -0.14572950 -0.09417490 -0.05007544 Pd 5.66683970 0.00230105 9.48775654 0.13277137 0.37435365 -0.34146068 Pd 3.77488613 1.88972749 9.51216069 -0.12281890 -0.17060289 0.09000825 Pd 7.57488570 0.01886841 7.58007129 0.16569315 -0.39636497 0.19835688 Pd 9.47876912 1.89840130 7.57054569 0.43515732 -0.20078763 0.28492040 Pd 9.47068665 0.00430313 9.50482580 -0.58261017 0.59259122 -0.67328411 Pd 7.63072294 1.90205251 9.46385016 -0.25128773 -0.12887318 0.39327997 Pd 0.00254532 3.81997162 7.59841442 -0.61475604 -0.30443652 0.18470569 Pd 1.88112918 5.65602171 7.56622445 0.19422981 0.64298736 0.44462826 Pd 1.90404824 3.81107711 9.45840043 -0.15636364 -0.18315232 0.55513419 Pd 0.00549156 5.70883175 9.48210157 0.27552774 -0.02688988 -0.23518057 Pd 3.77434878 3.77620415 7.57570446 0.20319657 0.16047426 0.32582192 Pd 5.68758680 5.72123851 7.58816368 0.08712973 -0.33097977 0.29954370 Pd 5.64833704 3.78409645 9.44277503 0.19256629 0.05516241 0.63202284 Pd 3.76102870 5.71729871 9.49882835 0.26944686 -0.10123274 0.22749474 Pd 7.57432999 3.79681086 7.59352037 -0.00688931 -0.03471594 0.06810278 Pd 9.45360881 5.65942854 7.60097291 0.51934162 0.29305310 -0.14588973 Pd 9.47542829 3.78342616 9.46061081 -0.10047548 -0.08572624 -0.17238932 Pd 7.60769215 5.64753440 9.47899992 -0.26650745 0.32864218 0.41000354 Pd 0.02803394 7.55440645 7.58137353 -0.24212466 0.24914668 0.13252828 Pd 1.92669350 9.45328594 7.61077695 -0.35650339 0.30421607 -0.11419861 Pd 1.91113910 7.54953000 9.49769100 -0.19187529 0.26627427 0.16412061 Pd 0.03719614 9.46869081 9.46793329 0.56543010 -0.62666713 -0.56800967 Pd 3.79496524 7.60581613 7.57958713 -0.42715921 -0.24075306 0.39313933 Pd 5.66528864 9.43979830 7.56434133 0.11215707 0.77959927 0.19926670 Pd 5.69299613 7.62385399 9.47601004 -0.02333829 -0.25852311 0.43531011 Pd 3.76161849 9.49672333 9.45559692 0.10514510 -0.31711719 -0.10841872 Pd 7.58784225 7.60106197 7.58099694 0.29612403 -0.20219398 0.16915953 Pd 9.49484413 9.46473413 7.54578450 -0.49071378 -0.47127594 0.14277870 Pd 9.46619634 7.54626528 9.45879928 -0.43867680 0.18458015 -0.41052141 Pd 7.54594043 9.46800345 9.45135697 0.27502877 -0.31313705 -0.41930755