108 Lattice="11.152487217692528 0.0 0.0 0.0 11.152487217692528 0.0 0.0 0.0 11.152487217692528" Properties=species:S:1:pos:R:3:forces:R:3 energy=-210.08072753693983 stress="-0.002314504492411583 -0.00346718371915192 0.0023737452610253884 -0.00346718371915192 -0.0031395857269282197 -0.0026196881584308863 0.0023737452610253884 -0.0026196881584308863 -0.006495333600106916" free_energy=-210.08072753693983 pbc="F F F" Pd 0.02240203 0.03486586 0.02676874 0.51855733 1.10036364 0.56478587 H 1.86557982 1.87537806 0.01821991 -0.22002419 0.06482341 0.65073706 Pd 1.83708023 0.00913904 1.80429835 0.64732794 1.84782146 -0.00889643 H 0.00128833 1.87262533 1.83834334 0.66041447 0.03778350 -0.21168568 H 3.71108720 0.00265395 0.00514229 0.18026631 0.59744252 0.87556544 Pd 5.58329530 1.86014223 0.03516086 -0.10903604 0.29563057 1.37942286 Pd 5.54152483 0.01676749 1.86860313 -0.75158012 0.85380734 -0.31332190 H 3.72930649 1.80245890 1.84759218 0.28426823 -0.16890074 -0.05304662 Ag 7.43180904 0.01508093 0.06396671 -1.00779287 -0.50135124 -0.30674449 Ag 9.27999051 1.83968946 0.00202705 -0.10149792 0.88644505 -0.86466990 Ag 9.31977119 0.03956312 1.87990633 0.21663472 -0.08846959 1.35604080 H 7.43228305 1.89452909 1.85226788 -0.47112284 -0.28262095 -0.01172597 Pd 0.03691347 3.70880276 0.03267392 1.34335419 -1.03309285 1.53732264 Ag 1.89230936 5.58283316 0.03074112 -0.54658719 -0.40807752 -1.84392462 H 1.83520929 3.72469693 1.85002448 -0.35770150 0.14266077 -0.19315768 Pd 0.01814673 5.60212574 1.82851419 0.02363971 0.10613752 0.40529925 Pd 3.75022837 3.72367729 0.01072893 -1.00449963 -1.33947811 0.72683163 Pd 5.55388714 5.55397910 0.03027511 0.22459123 0.12535263 -0.61513097 Pd 5.54793871 3.73906218 1.84753604 0.67926658 -0.95267380 -0.42663818 Ag 3.68380817 5.58536320 1.89436456 1.46701831 -0.87927831 -1.05431846 H 7.45702358 3.77257505 0.02448633 -0.55188321 -0.10339448 0.57036311 H 9.28296410 5.58587040 0.03595374 -0.63486363 0.41190789 0.70369815 Ag 9.32080083 3.71535539 1.83307288 0.48962700 -0.59647689 -0.70278939 Ag 7.43665838 5.61370090 1.89016340 -0.31814046 -0.22724919 -1.76839415 H 0.00012380 7.42988523 0.02865921 0.54029821 -0.26233087 0.71752360 Ag 1.88559999 9.26579604 0.03464476 0.77038404 0.16521660 -0.74005949 Ag 1.86103713 7.43058963 1.85650230 -0.52497425 0.87765167 -0.59645058 Ag 0.00183251 9.25117590 1.87984783 -1.52052498 0.17483649 0.15271358 H 3.75583016 7.43761681 0.02656344 0.19161172 -0.30558269 0.59825242 H 5.53085450 9.27226584 0.01435296 0.30745876 -0.73240443 0.63042163 Pd 5.56659792 7.44429733 1.82618301 -1.24119552 0.25356881 -1.19563980 H 3.70299845 9.32817154 1.88848258 -0.21520133 -0.56229264 0.19547257 Pd 7.45208695 7.43548684 0.00389196 0.33613362 -0.02911611 -0.06125848 H 9.27472556 9.31647223 0.00561538 -0.58037348 -0.75875059 0.58955450 Pd 9.29286360 7.47525185 1.84832687 0.43099348 -0.05893815 -0.52554079 Ag 7.41765007 9.26923989 1.84248235 0.91569553 1.81123321 -1.46592410 H 0.02702585 0.01127110 3.74507335 0.69991113 0.67670479 0.04235854 Ag 1.82369234 1.87325795 3.70526559 -0.71942721 -0.58337514 -2.89734471 Ag 1.84619136 0.03628883 5.60403567 -0.99338635 -2.34418561 0.59442901 Pd 0.02065212 1.84378615 5.53940284 -0.32493152 -0.05703029 0.59045225 Pd 3.68996008 0.01772107 3.72961182 0.62661295 -0.23764551 -0.81384247 Ag 5.58402121 1.86651567 3.68387304 0.65460189 -1.48847315 -0.41399649 H 5.54676842 0.01401149 5.57968825 0.10572385 0.41262119 -0.36947456 Ag 3.71188269 1.83109814 5.58634923 1.68305583 -1.53672665 1.09427500 Pd 7.39920757 0.01412495 3.70217175 -0.36481487 1.33740733 0.12949531 H 9.29665842 1.82494959 3.72693363 -0.64982689 -0.09973409 -0.04831012 Ag 9.27842137 0.02066255 5.55459701 0.48418742 -0.19502533 -1.31389286 H 7.44646828 1.87940022 5.56530419 -0.19038710 -0.12237361 -0.10245671 Pd 0.04775190 3.68843316 3.71201786 -0.31049656 -0.39975729 -1.48898023 Ag 1.86895997 5.59257991 3.70512567 -1.86274061 -0.91239260 -0.98912311 Pd 1.85936967 3.73355801 5.57423726 -0.91920305 -0.69685575 0.60932986 Ag 0.01217185 5.57995839 5.57396182 -3.25908708 0.15005285 0.06910352 Pd 3.70313640 3.70734500 3.70507082 0.16745958 0.10859111 -1.27071032 H 5.51607255 5.54481954 3.75179869 -0.05812870 -0.07833128 0.04484976 Pd 5.56386903 3.70711347 5.59964116 1.23346467 -0.54102982 0.46221811 Pd 3.68335254 5.60670099 5.56663012 1.98578044 -0.45488071 -0.59770135 Ag 7.46145673 3.74488486 3.75008869 -1.10363629 -2.45856721 -1.10371185 Ag 9.31541273 5.54304901 3.73486203 2.82163153 1.73823753 -0.26647561 Ag 9.29104931 3.68935514 5.55451431 1.26976860 -0.94832161 1.46260245 Ag 7.39574938 5.54782149 5.56452134 0.25272383 0.55609480 1.21621247 H 0.00100475 7.41836314 3.70291296 0.57425475 -0.00762511 -0.25299371 Pd 1.82534353 9.26106106 3.66816757 0.73372236 0.34184681 -0.02798348 Ag 1.86467861 7.40265355 5.57571915 -1.17063951 1.96862225 -0.22962038 Ag 0.02933626 9.32623499 5.55232249 -1.09971838 0.01280332 -0.08768182 Ag 3.72979286 7.47145651 3.69520222 0.69079015 0.45185571 -0.26377315 Ag 5.58542352 9.27946456 3.70837103 -0.68692536 2.82256023 -0.45764531 Pd 5.57889525 7.46104335 5.56767541 -0.36843694 -0.35480449 0.42417006 Pd 3.75033526 9.30795744 5.57113316 0.29761676 0.70527503 0.89873485 Pd 7.42915441 7.45938140 3.68078712 -0.05089465 -0.85411129 0.48546108 Pd 9.28461383 9.32887511 3.75295812 -0.31043054 -0.62494065 -0.28804847 Pd 9.27532693 7.45512587 5.56925953 0.59238880 -0.01671364 0.56821531 Ag 7.46769401 9.32588730 5.59601021 0.38877598 1.83576518 1.15747743 H 0.03086720 0.02516764 7.41296325 0.85788703 0.79032075 -0.14084267 Pd 1.87899752 1.85354636 7.42900562 -0.99664650 0.32724897 1.76180421 Pd 1.85411115 0.03242141 9.30459377 0.10768806 0.94739179 -1.14952714 H 0.03124992 1.92377858 9.26360578 0.79251322 -0.20428666 -0.52732657 H 3.69586350 0.02030620 7.40457018 -0.46688344 0.64942330 0.11386133 H 5.52967817 1.86191155 7.44518604 0.23173769 0.16645927 -0.15908957 H 5.59894101 0.00610856 9.28309094 0.10991679 0.43568901 -0.47161567 H 3.71003821 1.86985462 9.28691716 -0.37680683 -0.07902051 -0.65248225 Ag 7.47134080 0.01047892 7.42964977 -2.32087627 -0.23258663 0.35529422 Ag 9.28203766 1.83397694 7.42235594 0.33765209 1.34046590 0.95965128 Pd 9.32201950 0.02662045 9.26342035 -0.32655077 0.54052662 0.07134268 H 7.46016063 1.88764162 9.32504726 0.42758080 0.10058477 -0.55854927 H 0.02544863 3.72250869 7.46348470 0.65708276 -0.25118823 -0.42882928 Ag 1.80878417 5.60010419 7.39887038 0.31028850 -0.90770790 2.62537683 H 1.80080599 3.73450468 9.28468676 0.14316857 -0.07639281 -0.56053183 Ag 0.00857405 5.58280618 9.24209309 -0.65293085 -0.40584048 0.24002809 Ag 3.74725864 3.70129294 7.42499747 -0.61069876 -0.49458586 2.56102881 Pd 5.59328489 5.54815502 7.43716447 0.28557900 0.32508566 1.13311263 Ag 5.60360028 3.74755885 9.30610758 0.81482784 -0.62775612 0.70482037 H 3.65646158 5.60458661 9.28411514 0.05983263 0.50734294 -0.59181882 H 7.46994075 3.72577434 7.42820346 -0.09255254 -0.01028054 0.12546491 H 9.28078310 5.56659810 7.43058130 -0.45216475 -0.06663544 -0.13265777 Pd 9.27010896 3.70699852 9.30352471 -1.63542111 0.18319967 -1.14953057 H 7.45036860 5.59001384 9.32373456 -0.20486371 -0.09703323 -0.58053593 H 0.03369332 7.37531404 7.39969258 0.46113618 0.21982665 0.35550024 Ag 1.86754515 9.30767339 7.44003656 -0.53085445 1.08157147 0.13217842 Pd 1.82250913 7.43986359 9.29925954 0.42441185 -0.46436756 -0.21079132 Pd 0.04210862 9.31289221 9.27297344 0.24630665 -0.74437303 -0.49323362 Pd 3.75296626 7.41785987 7.41616874 1.04309878 0.04797215 0.96648824 H 5.55736353 9.26302522 7.44344028 -0.02951287 -0.80025734 0.08931311 Pd 5.58295685 7.45169997 9.29855595 -0.16136983 -0.53164247 -0.37824106 Ag 3.70230716 9.28897662 9.30874003 0.87762250 0.64085384 0.69175205 Ag 7.42561041 7.42403864 7.46356488 1.40073313 0.33672742 1.78747820 H 9.29095903 9.32022286 7.45927913 -0.74070405 -0.59553315 -0.06583719 H 9.31186032 7.42103941 9.25830969 -0.67415643 0.16663259 -0.40449825 Pd 7.43538315 9.31806864 9.28190555 -0.20597200 -0.78557605 -1.27886256