108 Lattice="14.435206609406428 0.0 0.0 0.0 14.435206609406428 0.0 0.0 0.0 14.435206609406428" Properties=species:S:1:pos:R:3:forces:R:3 energy=-107.80485754666968 stress="-0.003221180314041933 0.00042938928249368536 0.00015099838841002418 0.00042938928249368536 -0.0029697002139723113 -0.00020191938182962237 0.00015099838841002418 -0.00020191938182962237 -0.003101001097816972" pbc="F F F" Ca 0.04708874 0.03054179 0.03991801 -0.84918748 -0.45187297 -0.41948911 Ca 2.38508425 2.38037768 0.04774796 -0.11855641 1.25381032 -1.18407846 Ca 2.31847623 0.02608361 2.43710864 0.31658818 -0.73002163 0.60064030 Cd 0.07253025 2.38539206 2.37039068 -0.14437959 0.28577353 0.26681304 Ca 4.77282223 0.04119973 0.02061009 0.84783622 -0.69133993 -0.51600090 Cd 7.20037080 2.47741290 0.01129502 -0.02051996 -0.06100778 0.04022870 Cd 7.24939608 0.01764881 2.39373934 -0.03399053 0.21096828 0.10505378 Ca 4.80390402 2.44033634 2.36460558 0.31805070 0.46586256 0.47442860 Ca 9.65108935 0.03383271 0.01149680 -0.60986071 -0.57678226 -0.23541509 Ca 12.02084647 2.45065117 0.01995207 1.04859563 -0.30139773 -0.71425980 Cd 12.05023890 0.04424667 2.39551075 -0.15355650 0.20765283 0.21919948 Ca 9.64645219 2.43903248 2.39118975 -0.36133595 -0.62315301 1.07607797 Cd 0.01623208 4.81546629 0.03912533 0.15931198 -0.05191249 0.11486439 Cd 2.43514897 7.23469368 0.07887718 0.12295576 -0.08643434 -0.05588588 Ca 2.34866348 4.80082132 2.45125393 0.16684367 -0.06514373 0.51497517 Ca 0.03293673 7.19549219 2.40864699 -0.63463345 -0.48649396 0.29151945 Cd 4.82135452 4.84437297 0.03259522 -0.15624144 -0.13507836 0.00044628 Ca 7.17275014 7.22061759 0.02028197 -0.16049283 0.61976633 -0.57892058 Ca 7.17642942 4.78544122 2.37936833 0.21458540 0.35263702 0.72129657 Ca 4.83125915 7.21340389 2.39949500 -0.26091313 0.60212007 0.67066349 Ca 9.61600400 4.84768803 0.00701332 -0.11975135 0.38615372 -1.07002142 Cd 12.01863018 7.30255236 0.04375511 -0.17831691 -0.11340004 0.14682486 Ca 12.04706006 4.83186291 2.36635096 0.59850564 0.56140869 0.73277980 Cd 9.56330121 7.17609181 2.38318282 -0.01471185 0.17391389 0.18101424 Ca 0.04642414 9.57909091 0.01792827 -0.65027960 -0.39079655 -1.11246802 Ca 2.44273547 12.06927976 0.02602491 0.44386650 0.63340994 -1.04769672 Ca 2.36772742 9.67130518 2.38407954 1.22400793 -0.83419998 0.78391168 Ca 0.00587297 12.01187691 2.37262663 -0.68977694 1.06144625 0.55960087 Cd 4.75571048 9.66525313 0.00978360 0.10786945 -0.15500424 0.10227755 Cd 7.14785088 11.99517208 0.01090783 -0.00097592 -0.25096263 0.21620504 Cd 7.17427235 9.67049026 2.42906775 0.14916686 -0.18189043 0.01796540 Ca 4.82201511 12.00887948 2.43856268 0.24459063 0.19460224 0.24599367 Ca 9.65712586 9.68855227 0.00167157 -0.28215212 0.02788228 -0.13081897 Cd 12.06149370 12.03548356 0.04314638 -0.15365429 -0.11036194 0.19934846 Ca 12.05967404 9.64226888 2.45398959 0.14643668 0.23149728 0.00213002 Cd 9.62540105 11.96749634 2.38306178 -0.10891096 -0.04906825 0.11170267 Ca 0.04010605 0.02812131 4.81831930 -0.78690651 -0.23068701 -0.37250856 Cd 2.46328486 2.36414213 4.85562869 0.03946202 0.34095360 -0.06316802 Ca 2.38413558 0.03662469 7.21405743 1.10283061 -0.81780366 0.13038601 Ca 0.04337350 2.40385928 7.21923763 -0.72105843 1.09262750 -0.76422503 Ca 4.81219856 0.02814914 4.82904294 -0.16175383 -0.67152612 -0.30882605 Ca 7.19932013 2.40586033 4.84911237 0.53024439 0.70987350 0.42364512 Ca 7.20763793 0.04371032 7.18028275 0.13253376 -0.86188095 0.13456167 Cd 4.76336888 2.38346092 7.22205175 -0.01917858 0.19936060 -0.06352360 Cd 9.70964343 0.00146844 4.81609404 -0.13956166 0.27556181 -0.14569585 Cd 12.06304603 2.43158987 4.76824323 -0.24421526 0.03575441 0.03203928 Ca 12.04037780 0.04251660 7.17685972 0.09401102 -0.12838077 -0.58798770 Cd 9.54585292 2.38450365 7.22484049 0.15672729 0.23010216 -0.08800812 Cd 0.01003564 4.81698374 4.78884459 0.19233174 -0.10640908 0.15760450 Cd 2.47603094 7.23965057 4.80361514 0.04488334 0.00945911 0.06874007 Cd 2.39291256 4.80884862 7.20337059 0.13089493 0.11880859 -0.14404934 Cd 0.03657662 7.22006970 7.16800904 0.22612078 -0.05158730 0.02424511 Cd 4.82558110 4.87244380 4.86692949 -0.10020438 -0.08120110 0.07170890 Cd 7.24326216 7.17405488 4.84694003 0.05711089 0.08126722 0.00471309 Cd 7.17726293 4.83708928 7.25315688 0.07251434 -0.01067412 -0.13898396 Cd 4.81087489 7.25045199 7.27062663 0.03653743 -0.08207497 -0.11864249 Cd 9.59694252 4.79843562 4.76759951 -0.03392921 0.02420602 0.09108249 Ca 12.01304947 7.26239191 4.80867405 -0.35837688 0.28694931 0.31048548 Ca 11.99490571 4.85430451 7.18308286 0.11556294 -0.19198691 -0.31251979 Cd 9.60486265 7.21633525 7.20003218 -0.13501497 0.12397559 0.03075353 Ca 0.01829729 9.66710018 4.82164632 -0.55430780 -0.81457994 0.21394576 Cd 2.38539757 11.98195977 4.83435402 0.29042577 -0.02525181 -0.06613821 Ca 2.44012806 9.59732763 7.28642814 0.31579145 -0.50920181 -0.22209131 Ca 0.04222758 11.98619408 7.17232348 -0.23602861 0.72349386 0.62220387 Cd 4.77689723 9.64873087 4.86894594 0.00400095 -0.12147932 -0.04750122 Ca 7.24052152 12.02703845 4.85768636 0.42025526 -0.21446200 0.25734572 Cd 7.21955746 9.64813152 7.18748292 0.05303786 -0.17559280 0.08331173 Cd 4.83408685 12.02257569 7.21652608 -0.16217635 -0.14718743 -0.04635507 Cd 9.65108172 9.69907702 4.74825448 -0.11866552 -0.13690204 0.06359453 Cd 11.98311686 12.03206009 4.86814956 -0.30464410 -0.23018881 0.07292048 Cd 12.03888090 9.67351531 7.24726251 -0.27621399 -0.15491519 -0.08259858 Cd 9.61398489 12.01994244 7.28433642 -0.03657497 -0.27524418 -0.04425373 Ca 0.03791871 0.04296847 9.62762427 -0.61707342 -0.55066108 0.78549417 Ca 2.42497968 2.44474260 9.61067768 0.69075225 -0.34703778 0.07277200 Cd 2.39754362 0.00402087 12.07607205 0.07671246 0.29464122 -0.28900781 Cd 0.03992023 2.46957178 12.05640132 0.15575015 -0.14962599 -0.14955618 Cd 4.83761666 0.02768081 9.61145022 -0.17504543 0.07318959 -0.04481491 Ca 7.13768066 2.38592114 9.57595255 0.21393877 0.53923374 -0.34318984 Ca 7.23762879 0.00619218 12.06364230 0.04337605 -0.59447514 0.49294931 Ca 4.84183762 2.33500295 12.07004061 -0.29050810 0.05757381 0.81706080 Ca 9.57856560 0.04385106 9.63703689 0.46501445 -0.49119132 0.16644733 Ca 12.06979790 2.42207322 9.61170203 0.39841472 0.13064511 0.56148194 Cd 12.05315331 0.01706507 11.99993245 -0.25751099 0.19746722 -0.21595809 Cd 9.58375343 2.44196728 12.04323555 0.02266986 0.09469510 -0.15086544 Ca 0.03203612 4.80092386 9.65702557 -0.64343446 0.82560569 -0.32558065 Cd 2.42111902 7.24008672 9.60531166 -0.00659988 -0.19803592 0.02082109 Ca 2.38747321 4.81621277 12.04135196 0.13336274 0.74689084 0.90263916 Cd 0.01102809 7.20021510 12.03296853 0.21192305 0.12180498 -0.24571460 Ca 4.83668901 4.78308313 9.59764879 0.16038620 1.22774798 -0.59369304 Cd 7.25727009 7.24330312 9.66001597 -0.02468089 0.06240720 -0.11942627 Cd 7.24252622 4.75070823 12.00109017 -0.04103363 0.01971506 -0.10903257 Cd 4.83817985 7.28605982 11.98728241 0.08454354 -0.18437568 -0.14230439 Ca 9.61927037 4.77996615 9.61224468 -0.60252408 0.26245355 -0.17093382 Cd 11.98828390 7.24666310 9.63281368 -0.12236941 0.01556129 -0.14018123 Cd 12.03022016 4.82834868 11.98570534 -0.11040412 -0.05788839 -0.17637625 Ca 9.64603279 7.16070833 12.03518677 -0.60616515 0.08204570 0.19105348 Cd 0.05906346 9.56816937 9.63992645 0.06291372 -0.12058692 -0.05875275 Cd 2.38456036 11.95351742 9.63587233 0.10960522 0.11693971 -0.10703860 Ca 2.41258462 9.60944057 11.99412290 -0.38053054 -0.87388459 0.38479128 Ca 0.01952344 12.07009245 12.01041601 -0.14884198 0.14991049 -0.20442649 Ca 4.77355255 9.63513186 9.63042136 0.68441509 -0.89218225 -0.53662819 Ca 7.17947120 12.04079514 9.66825512 0.91701585 0.15398663 -0.67825110 Cd 7.26368444 9.63848150 12.01135811 0.05953847 -0.14967410 -0.15521687 Ca 4.83772396 12.01385972 12.07243918 -0.15645280 0.52488087 0.60816534 Cd 9.64601134 9.63371046 9.64856847 -0.20768580 -0.13683602 -0.16054334 Ca 12.04588590 12.00668224 9.63806036 -0.18407738 0.24245038 -0.48547501 Ca 12.00401339 9.60890760 12.06814916 0.21641704 -0.09636107 0.22429052 Cd 9.64079414 12.05382808 12.01582488 -0.16529058 -0.23278887 -0.13211624