108 Lattice="11.370553910521616 0.0 0.0 0.0 11.370553910521616 0.0 0.0 0.0 11.370553910521616" Properties=species:S:1:pos:R:3:forces:R:3 energy=-337.1780498348683 stress="-0.0070905106759493715 -7.240511661298209e-06 0.0012010081240728158 -7.240511661298209e-06 -0.0064635415465189375 -6.220818135635472e-06 0.0012010081240728158 -6.220818135635472e-06 -0.006744912551657413" free_energy=-337.1780498348683 pbc="F F F" Pd 0.00388020 0.00990809 0.01901008 0.50682776 0.45509251 0.48812275 Pd 1.86588268 1.88563019 0.00522925 0.22178706 0.04397687 -0.34620755 Pd 1.91579614 0.00931952 1.87131527 -0.22780439 -0.37932089 0.11280260 Pd 0.00192999 1.90170479 1.85913539 -0.46881883 -0.27042131 0.14433425 Pd 3.75523224 0.02728804 0.02415516 0.15790902 0.25576412 0.13581453 Pd 5.71514149 1.87219662 0.01015237 -0.28334797 0.16423899 -0.54736954 Pd 5.67865361 0.02675711 1.89847801 -0.07422238 -0.64285149 -0.11608632 Pd 3.83520480 1.89929866 1.92531119 -0.42859847 0.01775927 -0.46665220 Pd 7.56751248 0.03274013 0.02854186 0.19039262 0.19511487 0.42615392 Pd 9.46726811 1.86222857 0.01468379 -0.51501893 0.26852253 0.54517865 Pd 9.50943866 0.02018597 1.93391842 -0.54826507 0.41752159 -0.17860544 Pd 7.54918616 1.92416552 1.89828916 0.56438486 -0.25140380 -0.29322267 Pd 0.01057536 3.79631114 0.02157824 0.11796261 0.00748502 0.08947919 Pd 1.85969047 5.70013410 0.00394083 0.22617251 -0.06146462 -0.50987533 Pd 1.87151442 3.76596281 1.87930433 0.32508059 0.27582249 0.08875584 Pd 0.01360237 5.69453795 1.89464650 -0.42492466 -0.03764916 0.15623636 Pd 3.77428069 3.80202495 0.00258646 -0.13259894 -0.41492756 -0.61243250 Pd 5.65046278 5.69426995 0.00909213 0.40213128 0.12102794 -0.87413608 Pd 5.67115947 3.81844398 1.86587992 0.14845328 -0.47236465 -0.04760744 Pd 3.82021631 5.67031360 1.84001544 -0.60985512 0.25595581 0.40836544 Pd 7.55410493 3.81953921 0.00155573 0.35305842 -0.20135313 -0.38507111 Pd 9.49045364 5.64787329 0.00336985 -0.50374462 0.24245470 0.41473860 Pd 9.45477648 3.81062460 1.91853737 0.35777782 -0.23086587 -0.22344983 Pd 7.55837908 5.69206578 1.90747058 0.56867067 0.11792205 -0.36991556 Pd 0.00587403 7.55230273 0.00825713 0.35890513 0.26521157 0.42182035 Pd 1.91926305 9.47794257 0.03662170 -0.08746691 -0.43885994 0.36605495 Pd 1.90917264 7.54854921 1.87150135 -0.30123871 0.52273952 0.11807474 Pd 0.01712914 9.50187957 1.88526712 0.58376796 -0.70829666 0.17274420 Pd 3.81892413 7.61594268 0.00149367 -0.31085701 -0.05191592 -0.56044382 Pd 5.68936203 9.48675718 0.00039105 0.07773099 -0.11673435 0.26163020 Pd 5.69298301 7.59659745 1.86669808 0.09074877 0.15669001 0.36540946 Pd 3.81654689 9.44383989 1.90624871 -0.28980148 0.56306472 -0.08276498 Pd 7.54462429 7.60753650 0.01628444 0.38000211 -0.19047407 -0.42731672 Pd 9.44088388 9.49674683 0.02108650 -0.46964901 -0.57643777 0.46351028 Pd 9.43902102 7.58245738 1.88991478 0.35324710 -0.09952116 -0.11468554 Pd 7.61037621 9.50004143 1.87963079 -0.25197021 0.22759062 0.14372415 Pd 0.00248312 0.02669101 3.79766329 0.31135965 0.26104601 -0.12897058 Pd 1.89915535 1.86044950 3.73975842 -0.04921564 0.18823710 0.30168635 Pd 1.92705574 0.01891294 5.67390575 -0.53448583 -0.40281152 0.21525013 Pd 0.01498297 1.91517304 5.67928343 -0.35884570 -0.30375549 0.22718469 Pd 3.77881982 0.00787765 3.82066884 0.09106524 -0.62483003 -0.35988602 Pd 5.69309574 1.90027772 3.81174981 -0.18504133 -0.15869530 -0.29393740 Pd 5.65800872 0.03777821 5.68313877 0.53469284 -0.88351849 -0.02294059 Pd 3.80114411 1.88226070 5.71023420 -0.40976289 0.26570495 -0.26533611 Pd 7.56024554 0.01199832 3.73049670 0.22267735 -0.49244296 0.31442428 Pd 9.46233693 1.86563958 3.79425600 0.41271070 0.23818250 -0.09153155 Pd 9.46611810 0.02590603 5.67473168 -0.35746007 0.23140622 0.05442047 Pd 7.57026231 1.91195906 5.65784817 0.32155559 -0.51269083 0.33562462 Pd 0.02729622 3.75285463 3.77617334 -0.53616552 0.24995515 -0.05162812 Pd 1.92358378 5.70324047 3.82164164 -0.45434416 -0.39637803 -0.31858166 Pd 1.88187664 3.75446608 5.68483606 0.21852595 0.14235142 0.05310459 Pd 0.00152610 5.64805898 5.71711932 -0.36003525 0.20718553 -0.20476386 Pd 3.82231728 3.81730898 3.81509245 -0.47839279 -0.22949466 -0.18492518 Pd 5.72199894 5.65806396 3.77279486 -0.38497167 0.45886052 0.16032613 Pd 5.69404328 3.76573696 5.71435475 0.00499801 0.21019726 -0.06233666 Pd 3.81831747 5.71737434 5.72168885 -0.19524132 -0.48253426 -0.27711687 Pd 7.54926340 3.76412363 3.77659461 0.66833161 0.29946378 0.14405960 Pd 9.49397840 5.68660917 3.81884109 0.20796688 -0.09177087 -0.26959404 Pd 9.46940429 3.78778080 5.71869187 0.32880248 0.07011844 -0.25757330 Pd 7.56228866 5.70248430 5.68843890 0.32152596 -0.27955150 0.12735850 Pd 0.02439166 7.56591670 3.82083960 -0.26628056 0.19637752 -0.25102527 Pd 1.92546126 9.47526826 3.81259506 -0.26585188 0.21804673 -0.32765852 Pd 1.91227967 7.57892050 5.72024786 -0.25523460 0.31558978 -0.10141000 Pd 0.00275452 9.48994030 5.63339179 0.32071424 -0.31999000 0.15668926 Pd 3.76099192 7.54274641 3.78844362 0.42403657 0.42898779 -0.20774101 Pd 5.66839203 9.50131627 3.77399865 0.28491134 0.21476759 0.02418631 Pd 5.65678915 7.57931375 5.67844046 0.31351441 0.33587416 0.11310451 Pd 3.80908518 9.48790605 5.66796798 -0.17194564 0.31425790 0.29141151 Pd 7.57202699 7.58531909 3.80210106 0.06886934 0.25847582 -0.25152539 Pd 9.45538417 9.44648086 3.78218478 -0.21143127 -0.18886739 0.03908234 Pd 9.48411634 7.54631472 5.65610884 0.37362739 0.33216011 0.37340477 Pd 7.58000956 9.44182016 5.70784589 0.12426817 0.43132127 -0.11167039 Pd 0.00717162 0.03151145 7.59392505 0.40338874 0.39723691 -0.19874649 Pd 1.91591396 1.89073743 7.60947573 -0.30656416 0.03290844 -0.16179869 Pd 1.87560612 0.01977839 9.45009944 0.18578185 0.28078669 -0.29429037 Pd 0.03450713 1.92672311 9.45289940 0.26746444 0.01212862 -0.25585402 Pd 3.80096175 0.00084756 7.54518760 -0.34710630 -0.63860604 0.47031322 Pd 5.65659609 1.85180038 7.58952001 0.47781731 0.20440047 0.36407605 Pd 5.63923190 0.01423925 9.44454083 0.25328967 0.22549030 -0.12367655 Pd 3.77411193 1.92048695 9.46854809 0.02939056 -0.21123429 0.51973701 Pd 7.59718170 0.02324189 7.57937356 -0.04664444 -0.26283331 0.03220002 Pd 9.45005140 1.93285615 7.56788269 0.50973308 -0.42645232 0.11757705 Pd 9.46073392 0.01688707 9.47064451 -0.47431312 0.55940236 -0.58339612 Pd 7.61793304 1.89728763 9.48587248 -0.24000426 -0.23154004 0.33372479 Pd 0.01312113 3.82010505 7.59593371 -0.38606512 -0.27379372 0.13943549 Pd 1.93178624 5.66815142 7.58979493 -0.56492536 0.02291945 -0.09926196 Pd 1.90970798 3.82523138 9.47379841 -0.29395859 -0.25024824 0.48779078 Pd 0.01019891 5.72212235 9.46452644 0.23260108 -0.02522722 -0.30970429 Pd 3.82214615 3.80062649 7.59040912 -0.28194121 -0.26288228 0.10675926 Pd 5.69053077 5.66624535 7.59274101 0.36717235 0.24011961 0.30752827 Pd 5.72228186 3.79116209 9.48932678 -0.17665613 -0.17831584 0.54780674 Pd 3.76750208 5.66424187 9.48215009 0.30169820 0.07165093 0.71746151 Pd 7.55098627 3.73593219 7.60392150 0.39608626 0.42101358 0.07820018 Pd 9.44836788 5.67498952 7.59533052 0.37137153 -0.01978647 0.14114171 Pd 9.50871853 3.75202052 9.48332282 -0.37050995 0.11878679 -0.34591100 Pd 7.60759555 5.65623695 9.50539524 0.10506167 0.22901066 0.19207672 Pd 0.03348500 7.58990817 7.54132894 -0.42405246 0.11697656 0.25572876 Pd 1.86297004 9.50542923 7.55748556 0.30780476 0.10632372 0.16277466 Pd 1.90349483 7.54731054 9.44161511 -0.14181394 0.54853380 0.40209608 Pd 0.03505919 9.51087542 9.46244676 0.60540609 -0.71072025 -0.59996892 Pd 3.78905231 7.54340731 7.60631470 0.03079094 0.98194048 0.11269323 Pd 5.69149845 9.49122369 7.55834327 -0.00618451 0.08677868 0.44599798 Pd 5.65816300 7.54881778 9.45935420 0.37646807 0.39170158 0.36537857 Pd 3.78930534 9.49056216 9.50150072 -0.08829046 -0.51314887 -0.61791577 Pd 7.59764058 7.56911275 7.58494609 -0.05372119 0.30050755 0.34247381 Pd 9.47896203 9.48169887 7.56727537 -0.47863688 -0.52126978 -0.02669988 Pd 9.48243988 7.61293826 9.45924511 -0.46567798 -0.11763815 -0.41988603 Pd 7.60673045 9.49077411 9.49515356 -0.21053602 -0.63524937 -0.66413518