108 Lattice="10.145065393309405 0.0 0.0 0.0 10.145065393309405 0.0 0.0 0.0 10.145065393309405" Properties=species:S:1:pos:R:3:forces:R:3 energy=-208.97797796700385 stress="0.009867281976840798 0.0008053994843292654 -0.007326043199141718 0.0008053994843292654 0.0015390800453243833 -0.006482915170324901 -0.007326043199141718 -0.006482915170324901 -0.0048395164682313975" free_energy=-208.97797796700385 pbc="F F F" H 0.04920446 0.00783268 0.02212793 0.40986314 1.07829432 0.43445335 Pd 1.71925366 1.70397039 0.02432914 0.64713173 -0.59047099 -0.41538408 H 1.69278912 0.03026677 1.63528628 0.34550377 1.38946131 0.45114531 Pd 0.01494210 1.66559551 1.69940878 -0.48260823 -0.63014803 0.41585128 H 3.40518625 0.01646130 0.00968962 -0.49393152 0.75802414 0.26133634 H 5.04748886 1.72381760 0.02716080 0.10038911 0.32958959 0.74692151 H 5.10694229 0.01883067 1.68005686 0.10967780 0.34233508 0.84293207 Pd 3.40821340 1.69739386 1.69803101 0.96769777 -2.15557865 -3.38022432 H 6.78559941 0.03164602 0.02398564 0.48732686 0.96305867 0.29911888 Pd 8.47478160 1.67122587 0.01345114 -0.93786650 -0.55984419 0.05142986 H 8.45237965 0.02916156 1.71222808 -0.73475412 0.79970841 -0.05616231 Pd 6.71554619 1.67442155 1.67980433 -0.46688874 -3.03833940 -1.77186618 Pd 0.03197842 3.40538679 0.00060583 0.19035524 0.68060549 1.07464365 Pd 1.68645178 5.09275111 0.00257638 -0.21495819 -1.51197043 0.41315732 H 1.70083503 3.36115314 1.67938040 -0.57608104 -1.13318061 -0.67346428 H 0.00887474 5.11455051 1.65835168 0.64247255 -0.18946888 -0.71640573 H 3.35449019 3.37179061 0.02102497 -0.25173117 -0.10021086 0.12293903 Pd 5.06981151 5.08001670 0.00337562 0.26519327 -2.41327784 -1.53521575 Pd 5.06989772 3.38602991 1.69050482 0.14542149 0.12901288 -3.73717009 H 3.33235678 5.04418842 1.72362144 0.44661889 0.57159031 -0.49371166 H 6.79411022 3.37927259 0.01923156 0.64971894 -0.14652975 0.62049778 Pd 8.45958851 5.09941914 0.02717484 -0.83826855 -1.20876746 -0.15122231 Pd 8.47719885 3.32516465 1.69574052 1.19256460 0.04269667 -0.42798976 H 6.75611898 5.09204810 1.71775602 0.31654537 0.20826883 -0.37317859 H 0.02179007 6.75569703 0.00571590 1.32632121 0.04025390 0.27340854 Pd 1.68467356 8.43209411 0.01106309 -1.74815063 0.17360884 -0.29982782 Pd 1.68467251 6.74213915 1.71567429 -2.64763810 -2.12796161 2.24403175 H 0.02996297 8.42574040 1.75356723 1.40531209 -0.31783032 0.04678858 Pd 3.38206935 6.76324123 0.02553974 0.55199049 0.26026691 -2.69972034 H 5.08751153 8.43897612 0.00583070 0.11353326 -1.02932144 1.12217529 Pd 5.07419239 6.76258262 1.66976438 0.27482350 0.68118746 2.86345490 Pd 3.38140441 8.46596606 1.67744402 1.94144719 2.39576280 0.98699300 Pd 6.74029790 6.77997738 0.03211701 0.70147873 0.83307672 -2.16942592 H 8.47954822 8.44327540 0.02761664 -0.97937715 -0.93599129 1.00796752 Pd 8.46604714 6.75507893 1.69912252 0.56460490 0.96726948 0.91190088 Pd 6.79064274 8.46057078 1.66314596 0.09977581 1.33031520 1.12142577 H 0.02285298 0.01204015 3.39484511 0.24831842 1.21303122 -0.09417230 Pd 1.68715633 1.70352676 3.35609501 -3.52939399 -0.36033321 -0.19312231 H 1.70431553 0.03043749 5.08546681 0.24894224 0.89258075 0.49413547 Pd 0.00612300 1.67700109 5.03880283 -1.17043413 -0.22174087 -1.68652718 Pd 3.37219885 0.00511647 3.42156287 1.15962419 -2.35911299 0.00787867 H 5.08341516 1.66845750 3.42375540 0.09220315 0.30252424 -0.26408482 H 5.09451873 0.01231359 5.02530015 -0.17720271 0.02481290 -0.21424411 Pd 3.37570073 1.70735965 5.09080782 1.04237334 -2.21940665 0.33668689 Pd 6.77736365 0.00149121 3.41121363 -0.86790622 -0.70743403 -0.91665458 H 8.44508448 1.71773813 3.37042534 -0.93374041 0.17760529 0.36990732 Pd 8.46289555 0.00901558 5.11617694 0.17173919 -0.13044545 -0.02346443 Pd 6.74980872 1.72122173 5.06300368 -1.69773486 -2.76036731 1.79307380 H 0.00936061 3.36240239 3.34299342 -0.10882031 -0.76438398 0.24743205 H 1.68145439 5.04286281 3.39822111 -0.36102832 0.37758728 -0.01366087 H 1.71560556 3.40204909 5.04329962 -0.41884794 -0.42111677 0.74618625 Pd 0.01112147 5.04611626 5.09616098 0.61560488 1.22893376 -2.45186390 Pd 3.35095584 3.35937892 3.37790217 -3.16599114 3.31207748 -0.23172857 Pd 5.06452705 5.05436256 3.40629403 -0.24894565 5.38419071 1.25906513 Pd 5.09887880 3.35522061 5.08799660 1.16970436 1.40595423 3.64749016 H 3.38339148 5.10202374 5.04533069 0.30590392 -0.64310049 0.24763599 Pd 6.73384034 3.42018417 3.38080488 1.63758987 -0.21140839 -0.54598218 Pd 8.44229811 5.07309902 3.38148393 0.34485957 1.49427380 -0.27049460 Pd 8.46513179 3.35708765 5.09415966 1.78951550 0.38106359 0.06355136 H 6.73628503 5.03714692 5.05643447 0.78509600 0.01346454 -0.16135614 H 0.02229640 6.78861299 3.41203077 0.63733742 -0.24437844 -0.02495643 Pd 1.68355545 8.45517889 3.35278429 -1.96329497 -0.53632122 1.24520130 H 1.65620187 6.73550227 5.12347830 0.11558980 0.38384739 0.45978339 H 0.00337239 8.40419733 5.08127714 0.89906746 0.20351120 0.10702597 H 3.37576444 6.78672619 3.40744502 -0.41069091 0.87974458 -0.52073215 H 5.01976507 8.42666024 3.37163424 -0.32645411 0.14784166 -0.67453237 H 5.10784143 6.78677058 5.07889028 -0.08559766 0.55914815 0.73626506 Pd 3.38182824 8.43682765 5.07832048 0.93222722 -1.57629601 -1.09658002 H 6.74470874 6.74703326 3.39462347 0.59713938 0.04286777 -0.66113427 H 8.47272886 8.44605627 3.40853265 -0.38962010 -0.83323944 -0.42089787 Pd 8.39833579 6.79204456 5.08155752 -0.46689985 2.18410871 -1.33123214 H 6.76686351 8.45679251 5.06093338 -0.11932065 -0.51334062 0.86575174 Pd 0.02684533 0.00629968 6.77554404 0.78615051 -1.06478195 -0.00715073 Pd 1.66920372 1.70655076 6.76260828 -0.72629942 -0.78396581 0.62664869 H 1.68688411 0.00409991 8.46414921 -0.11370175 1.16421107 -1.14283527 Pd 0.02848045 1.67305334 8.43909608 0.66844995 0.05596763 1.03406656 Pd 3.37949101 0.00160623 6.76580621 0.04449251 -2.18228612 -0.68221849 H 5.04276111 1.73361877 6.78978860 -0.84848266 0.05437416 0.52807329 Pd 5.06167056 0.01810454 8.44040739 2.07055729 1.22388821 -1.14651101 Pd 3.35304208 1.68334200 8.47849380 -1.06062945 -0.37386568 2.27436816 H 6.74936592 0.03170326 6.78776199 0.25109040 0.46385711 -0.42938104 Pd 8.45093213 1.70290693 6.73678286 -0.31984089 -1.27952262 2.73227250 H 8.41701313 0.05229827 8.40970451 0.10174361 0.48723026 -0.51999833 H 6.81791898 1.72001662 8.48594238 -0.11571765 0.67925675 -0.19732579 Pd 0.01358428 3.41678009 6.76133661 -1.42477219 0.35504331 1.43797080 Pd 1.66658121 5.09038014 6.78520227 1.01563584 3.24679490 1.37263001 H 1.69350624 3.38652610 8.45870583 -0.07984147 -0.80367238 -1.04792775 H 0.00983019 5.06627896 8.43745506 0.33111493 -0.42864952 -0.81816061 Pd 3.32185410 3.41225262 6.77451847 0.28396119 2.57144598 0.77126536 H 5.08916883 5.07274788 6.78611423 -0.05369038 -0.41632161 0.16346879 Pd 5.05611242 3.35414988 8.44668918 2.71244981 0.86212044 -0.44579155 H 3.41446362 5.04848200 8.48357392 0.07151440 -0.55377848 -0.48269593 H 6.77088680 3.41218550 6.76108844 0.95906871 -0.48417222 0.15656430 Pd 8.47611400 5.08786804 6.74841130 -0.19578683 -1.00934648 0.65986233 Pd 8.43980617 3.37559139 8.42854630 -1.97041159 0.07519652 -0.15833843 H 6.76975767 5.07407977 8.46133275 0.94035629 -0.00404278 -0.41900804 H 0.00070870 6.73890698 6.75769591 0.60300167 -0.44932388 -0.45385592 Pd 1.71728932 8.44037915 6.72778631 -1.59572423 -1.93961244 0.15425307 H 1.67862605 6.76070452 8.44896564 0.74267722 0.47335018 -0.76916926 H 0.00574677 8.44436781 8.48756472 0.54040325 -0.07146968 -0.57059880 H 3.43546513 6.79129696 6.74453311 -0.46656191 1.49987474 0.22347151 Pd 5.07516028 8.44657502 6.72600624 0.69818842 -0.58587251 0.22790377 H 5.11653984 6.79084540 8.44874074 -0.21512940 0.84086143 -0.65058208 Pd 3.42137751 8.44753546 8.43224003 -0.04666392 -1.74714098 -0.41274461 Pd 6.75167513 6.77568659 6.76679844 -2.17332401 -0.08114416 0.70710657 H 8.40503280 8.42482618 6.77559247 -0.30875090 -1.46799166 -0.03073451 Pd 8.48706699 6.79302019 8.43519161 -0.93770861 0.57209084 -0.15605467 H 6.77997455 8.42212571 8.42734354 -0.04224451 -0.89084123 -0.77009568