Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Pt__MO_637493005914_001 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Pt Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.921837165951729 cohesive_energy=5.850593855970826 mass=195.084 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.6330986430362e-19, 2.6181168376194e-19, 3.45329947339092e-19, 4.1868880888004996e-19, 4.832933772928319e-19, 5.409044446982039e-19, 5.925570172017299e-19, 6.38984891701782e-19, 6.807536365501619e-19, 7.18307054674488e-19, 7.52012044523946e-19, 7.821778261888979e-19, 8.090847805802939e-19, 8.33034116905326e-19, 8.54293398661872e-19, 8.72891465029344e-19, 8.88818702947938e-19, 9.0223372790442e-19, 9.13303166268726e-19, 9.22153589994942e-19, 9.28892344917546e-19, 9.33609152928042e-19, 9.3638412285813e-19, 9.37294159186242e-19, 9.363072183796979e-19, 9.33094854228528e-19, 9.272276833948199e-19, 9.18188202825792e-19, 9.05356370164086e-19, 8.87987173274892e-19, 8.651817910665359e-19, 8.358555499577999e-19, 7.98625771513542e-19, 7.51715641846656e-19, 6.929894595040201e-19, 6.198068373928019e-19, 5.2882243070120995e-19, 4.1574721258002597e-19, 2.7505687799521795e-19, 9.95836091215968e-20, -1.199586495938382e-19, -3.9635446660208997e-19, -7.471606536761939e-19, -1.196013642044562e-18, -1.77620505998508e-18, -2.53562076273474e-18, -3.5452964557152e-18, -4.912273559844e-18, -6.804332012233619e-18, -9.5000262424713e-18, -1.347448173136974e-17, -1.9598625675405e-17, -2.96003735308134e-17, -4.725203416058159e-17] Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: -1.26270300404689e-25 eV ======================================== theta = 0.0 ======================================== Energy: 0.023479245156945924 Energy: 0.02531380615829411 Energy: 0.45930617697697645 Energy: 0.6687879615547189 Energy: 0.671597691114446 Energy: 0.27996039296818825 Energy: 0.02489628830363205 Energy: 0.024480863799032384 Energy: 0.8163461371630854 Energy: 0.2114841856238081 Energy: 0.46033303056338154 Energy: 0.45997560602952703 Energy: 0.025006763294580302 Energy: 0.10747172417094332 Energy: 0.024379009861597405 Energy: 0.6699366641721415 Energy: 0.6312822140849156 Energy: 0.6245195938370651 Energy: 0.5487483857169266 Energy: 0.10582247028569441 Energy: 0.10741229195182433 Energy: 0.026671961370148628 Energy: 0.4591236877425193 Energy: 0.6321231184117205 Energy: 0.6689322738255459 Energy: 0.6710352668321089 Energy: 0.10641659931430544 Energy: 0.0244761664337969 Energy: 0.10725007815005741 Energy: 0.8158645061625721 Energy: 0.21146649134004677 Energy: 0.46287739153299057 Energy: 0.4595642214159748 Energy: 0.024777711757173252 Energy: 0.10672974854465421 Energy: 0.02400065030946799 Energy: 0.45950178900327593 Energy: 0.6307470246880591 Energy: 0.6235188979794636 Energy: 0.54765522146678 Energy: 0.10574928265287134 Energy: 0.10746336571460748 minimum gb energy = 0.023479245156945924 eV minimum distance = 2.74766242930816 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.0754079058664725 Energy: 1.1786617515888753 Energy: 1.072998040281908 Energy: 1.1477010706124307 Energy: 1.1356494822714205 Energy: 1.0338864597225685 Energy: 1.1770330516125214 Energy: 0.9838325973838542 Energy: 1.0296977275127295 Energy: 1.0195365080835803 Energy: 1.0882828854077506 Energy: 1.0217256927351714 Energy: 1.0169691457409165 Energy: 1.0603091147274677 Energy: 1.1425824141733678 Energy: 1.0459944701333863 Energy: 1.0700545359460247 Energy: 1.056384396673753 Energy: 1.1043245166519284 Energy: 1.0673630357700383 Energy: 1.094570224967982 Energy: 0.9619666667029079 Energy: 1.0874558672771015 Energy: 1.0103441815529932 Energy: 1.0768365162661604 Energy: 1.0788596747139194 Energy: 0.9605338504633641 Energy: 1.0465603191759243 Energy: 1.0118820145775518 Energy: 1.0083977505601645 Energy: 1.0325662405399638 Energy: 1.0524540165745147 Energy: 1.057950981041474 Energy: 1.0186094856342025 Energy: 1.0218625790460591 Energy: 1.0216977541751742 Energy: 1.0798399394558333 Energy: 0.9846074359289717 Energy: 1.027568572390045 Energy: 1.0222590966257077 Energy: 1.020053461430725 Energy: 1.0828534324672954 Energy: 1.0099959496432207 Energy: 1.0960799071252851 Energy: 1.058133336230333 Energy: 1.0527825498846182 Energy: 1.0555403649936228 Energy: 1.072740659269056 Energy: 1.0429566851440923 Energy: 1.017555125400501 Energy: 1.0595865703034797 Energy: 1.0535283547902636 Energy: 1.07429356116952 Energy: 1.023526529089364 Energy: 1.0864650972727141 Energy: 1.099632816410067 Energy: 1.0171535425271236 Energy: 1.1054546665279052 Energy: 1.0185725134992978 Energy: 1.0580552334624473 Energy: 1.0812803691819892 Energy: 0.9860505529556397 Energy: 1.069492541618677 Energy: 0.9894870165090708 Energy: 1.1043266298141796 Energy: 1.0731118699827975 Energy: 1.1138092940115099 Energy: 1.0249613252134708 Energy: 1.053131092155498 Energy: 1.0857206847451448 Energy: 0.9931453645531365 Energy: 1.0522839462170226 Energy: 1.0699078339749277 Energy: 1.1283886199996518 Energy: 1.0999894060376845 Energy: 1.0180030455007052 Energy: 1.0620740725518765 Energy: 1.1039360115386825 Energy: 1.0090561704275378 Energy: 1.035564351382716 Energy: 1.0790327820874426 Energy: 1.0624208277880614 Energy: 1.058039710676505 Energy: 0.9906633598709125 Energy: 1.0298467307792607 Energy: 1.060620416401168 Energy: 1.0154352868033782 Energy: 1.0771498516695777 Energy: 1.085141330327652 Energy: 0.9970538139737556 Energy: 1.018329191014428 Energy: 1.0664559458603606 Energy: 1.1163770931115797 Energy: 1.098118027965171 Energy: 1.0911675420959541 Energy: 1.0690238143033595 Energy: 1.0846172444809756 Energy: 1.1120956925122083 Energy: 1.013568026984681 Energy: 1.0537864876968122 Energy: 1.066681460549318 Energy: 1.0763486336411228 Energy: 1.0985508275387887 Energy: 1.0050750462985962 Energy: 1.0524509214029156 Energy: 1.0566927099976726 Energy: 0.997207735379482 Energy: 1.1176417393999203 Energy: 1.0589400991235522 Energy: 1.041845073061663 Energy: 1.0652108077977258 Energy: 1.064769217200703 Energy: 1.0231123898133587 Energy: 1.1396490857375363 Energy: 1.057958728249092 Energy: 1.038659928328081 Energy: 1.0149726329932645 Energy: 1.072856668070815 Energy: 1.1531928644028524 Energy: 1.0794529086043425 Energy: 0.9939077486561682 Energy: 1.0529246945168649 Energy: 1.0332104615340094 Energy: 1.018797804217147 Energy: 1.1037323441959213 Energy: 1.0081961594544633 Energy: 1.0706193487271274 Energy: 1.0574339208151469 Energy: 0.9862884081949398 Energy: 1.0743449374703704 Energy: 1.0337745738430195 Energy: 0.9886665270843958 Energy: 1.0594313007247809 Energy: 1.0866347170267627 Energy: 1.0341231138728357 Energy: 0.9995554567053538 Energy: 1.0693369317154922 Energy: 1.0377920158440193 Energy: 1.0534775087881112 Energy: 1.101238500288034 Energy: 1.014030739096087 Energy: 1.0672043556836692 Energy: 1.027446604133308 Energy: 1.093654649878914 Energy: 1.1072616717606445 Energy: 1.0380107922483528 Energy: 1.0244692523373593 Energy: 1.1102478267810076 Energy: 1.060680298343186 Energy: 1.0393415251754319 Energy: 1.0067940058560296 Energy: 1.0952605760507659 Energy: 1.0560323021591398 Energy: 0.972501045618761 Energy: 1.0006154829822793 Energy: 1.0753052251379456 Energy: 1.041876698377019 Energy: 1.1155278109597666 Energy: 1.1165470204719494 Energy: 0.9951448470714973 Energy: 1.059064740570153 Energy: 1.0659885333799053 Energy: 1.0822637821085503 Energy: 1.0794776140728366 Energy: 1.1044050787130548 Energy: 1.126212479141159 Energy: 1.0310362650512166 Energy: 1.0640247389933617 Energy: 0.985877350899691 Energy: 1.0714332772672799 Energy: 0.9914649797192808 Energy: 1.0717163150573703 Energy: 1.039089674856214 Energy: 0.9797037392650343 Energy: 1.0586719543063954 Energy: 1.0405569948068416 Energy: 1.0744903043842071 Energy: 1.0901592009283838 Energy: 1.0198140139977938 Energy: 1.0503588548426053 Energy: 1.0674573790842028 Energy: 1.0465431376591456 Energy: 0.9942273912494716 Energy: 1.077846746429913 Energy: 1.0485295654626026 Energy: 1.0736578630564995 Energy: 1.0663196924758156 Energy: 1.084630255722424 Energy: 1.035387652372773 Energy: 1.034159724887123 Energy: 1.0485407802612183 Energy: 0.9830920434236395 Energy: 1.0502046938368248 Energy: 1.0532518621639866 Energy: 1.0435763171233856 Energy: 1.0767067242170494 Energy: 1.0172881641934244 Energy: 1.0625986611460816 Energy: 0.9828049666837423 Energy: 1.0251006324634155 Energy: 1.0301885669432147 Energy: 1.0284163041397976 Energy: 1.0910419583116668 Energy: 1.0363019012682826 Energy: 1.1158517985983658 Energy: 1.0454627476183123 Energy: 1.068941438503974 Energy: 1.0646985597313714 Energy: 1.0605651494677246 Energy: 1.038914445368755 Energy: 1.0437888985966448 Energy: 1.0572637547328527 Energy: 1.0542285046726427 Energy: 1.0764763286229269 Energy: 1.0160988567299591 Energy: 1.0321939835226226 Energy: 1.127196536001394 Energy: 1.0008201678786897 Energy: 1.1308551482353115 Energy: 1.0190539458485883 Energy: 1.0036231234689774 Energy: 1.0786409676912614 Energy: 1.025201399691016 Energy: 1.0948013853486729 Energy: 0.9921601679496015 Energy: 1.1226972382147664 Energy: 1.0752424586898668 Energy: 1.1306612121704944 Energy: 1.080390046788959 Energy: 1.071427930535525 Energy: 1.1007593152925348 Energy: 0.9893410401683987 Energy: 1.0646839737112652 Energy: 1.0277152544147894 Energy: 1.1255435899241788 Energy: 1.1010514488190222 Energy: 1.0135633072190073 Energy: 1.0832088968146651 Energy: 1.1130759557667265 Energy: 1.0271724841038912 Energy: 1.0129634240026677 Energy: 1.0822617821592213 Energy: 0.9904970327126934 Energy: 1.0197766291754153 Energy: 1.0077938628643783 Energy: 1.0352996403704042 Energy: 1.041081523291329 Energy: 1.0509015450986618 Energy: 1.1429151160532913 Energy: 1.0994365870423812 Energy: 1.0255928179650138 Energy: 1.0511863479067043 Energy: 1.069990611831053 Energy: 1.023128548931183 Energy: 1.0683127962971293 Energy: 1.0888244534714717 Energy: 1.025916178150175 Energy: 1.0806243322559579 Energy: 1.0593876476943942 Energy: 1.0303154056197295 Energy: 1.0531831292800278 Energy: 0.9887093388807723 Energy: 1.0851022015922909 Energy: 1.0785783164794314 Energy: 1.0090220834895165 Energy: 1.1061530988285209 Energy: 1.054810808407006 Energy: 1.0685429828071407 Energy: 1.1058395083692345 Energy: 1.054876179031555 Energy: 1.063301857995649 Energy: 1.037231310842875 Energy: 1.0412209473431675 Energy: 1.0233488786581229 Energy: 1.1174044579035716 Energy: 1.0172082510951816 Energy: 1.0021334613338384 Energy: 1.0148769317205415 Energy: 1.0608937131360445 Energy: 1.15267636257253 Energy: 1.095935316721876 Energy: 1.0141259034043801 Energy: 1.056607416998632 Energy: 1.0328855469457798 Energy: 1.0194743610513899 Energy: 1.111025368873071 Energy: 1.0344601949601442 Energy: 1.0320403483253808 Energy: 1.0420980248716836 Energy: 1.0153972960361572 Energy: 1.0643555582703812 Energy: 1.041317919280332 Energy: 0.995227024498212 Energy: 1.0492331989955794 Energy: 1.0890036543533483 Energy: 1.1742172445240768 Energy: 1.0852602446781634 Energy: 1.109554646950263 Energy: 1.0513919469086372 Energy: 1.0808497529164562 Energy: 1.1223035764638076 Energy: 1.0097740099462935 Energy: 1.1052118111100826 Energy: 1.0018727582446922 Energy: 1.0901818530447667 Energy: 1.04775092750432 Energy: 1.037159547634133 Energy: 1.0321685386523245 Energy: 1.1066336706935633 Energy: 1.0518156641083192 Energy: 1.005418810822689 Energy: 1.0598809363093307 Energy: 1.0424457796215907 Energy: 1.016593147017652 Energy: 1.0133007285244917 Energy: 1.0063617617556024 Energy: 1.084604906070861 Energy: 1.037441683554865 Energy: 1.121140540148383 Energy: 1.0725280227073506 Energy: 1.005234648799925 Energy: 1.0801504902120616 Energy: 0.9854786377761711 Energy: 1.0803259470710644 Energy: 1.0767902872582964 Energy: 1.0695026594281793 Energy: 1.0666234953481004 Energy: 1.045059463624224 Energy: 1.0863305006716597 minimum gb energy = 0.9605338504633641 eV minimum distance = 2.52230090992632 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 1.0267302059543664 Energy: 1.1136421426606438 Energy: 1.0294592086753285 Energy: 0.9907287628077972 Energy: 1.1971654981361188 Energy: 0.9958386451671939 Energy: 1.0358757681368584 Energy: 0.9804059449893758 Energy: 1.004537534237111 Energy: 1.0310849244227633 Energy: 1.0272526039843737 Energy: 1.0112817236862768 Energy: 1.073346950516834 Energy: 1.0506628014557626 Energy: 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0.9924266765566631 Energy: 1.0226486992344188 Energy: 1.0758757539408874 Energy: 1.0453961257100866 Energy: 1.0230501139886248 Energy: 1.0268034905252372 Energy: 1.0333984462970953 Energy: 0.9853879744358739 Energy: 1.0434126146568603 Energy: 1.0192682854009425 Energy: 1.0327247749149395 Energy: 0.9905181274106386 Energy: 1.0082445383413503 Energy: 1.0369670352170648 Energy: 1.0186914368480162 Energy: 1.0445458510113579 Energy: 1.0084516508056116 Energy: 1.0029802232585827 Energy: 0.9984386380573209 Energy: 1.0044519494887674 Energy: 1.0403487167547483 Energy: 0.9803174647398408 Energy: 1.0957064603081599 Energy: 0.9875035570477046 Energy: 1.008347412597963 Energy: 1.0183488796655022 Energy: 1.0058737283531467 Energy: 1.0275811337501395 Energy: 0.9983151405102383 Energy: 1.047479475529842 Energy: 1.0546948464590828 Energy: 1.0231074027398508 Energy: 1.1014351613960702 Energy: 1.0279900782273974 Energy: 1.0568750185490752 Energy: 0.9885440739632018 Energy: 0.9979793390629522 Energy: 1.0418343238608494 Energy: 1.0391100445849641 Energy: 1.0092586226247762 Energy: 1.0231296790448372 Energy: 1.0144614879187188 Energy: 1.004214769663787 Energy: 1.0070894240843087 Energy: 1.0050408911142488 Energy: 1.1241734292359693 Energy: 0.9844260295604941 Energy: 1.1231881646961055 Energy: 1.0573017100693216 Energy: 0.9886521811771894 Energy: 0.9649420738953582 Energy: 1.098959235233477 Energy: 1.0897812099684532 Energy: 1.0679838966346733 Energy: 1.024283588375631 Energy: 0.9827496619676135 Energy: 0.9899512413555014 Energy: 0.9647317003094725 Energy: 0.9870057453919263 Energy: 1.0910096240839198 Energy: 1.0736937507267261 Energy: 1.0175663952421719 Energy: 1.0553143078730662 Energy: 0.9971326408599063 Energy: 0.9644490091703416 Energy: 1.0440621725843033 Energy: 1.069258847917426 Energy: 1.025158691333021 Energy: 1.0355379206075555 Energy: 1.0713581739293812 Energy: 1.0273064022016454 Energy: 1.0126055877124545 Energy: 1.0716285236469574 Energy: 1.0213811194419173 Energy: 1.0579648658117473 Energy: 1.0148179176324321 Energy: 1.0353960529929813 Energy: 0.990054076367201 Energy: 1.0471230084772722 Energy: 0.9928240743353219 Energy: 1.0251563581705472 Energy: 1.0029151249470991 Energy: 1.0015807305978446 Energy: 0.999534542691461 Energy: 1.0409009359870696 Energy: 0.9701650134162451 Energy: 1.0342911096297418 Energy: 0.9946982760559339 minimum gb energy = 0.953568852426095 eV minimum distance = 2.52429267169391 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 1.043386508385591 Energy: 1.0278396760041797 Energy: 1.0134835104058166 Energy: 0.9549007992427192 Energy: 1.0665255852983762 Energy: 1.0236222083049944 Energy: 1.0193585046702025 Energy: 1.0050363109715676 Energy: 1.0435280525771153 Energy: 1.0323018930222023 Energy: 1.0225120077418968 Energy: 0.9805476912107758 Energy: 1.006600527115542 Energy: 1.0507103943214509 Energy: 1.0274675128825597 Energy: 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1.0333977988980538 Energy: 1.0483567654796033 Energy: 1.0910978916684961 Energy: 1.0350673030467332 Energy: 1.004193458517539 Energy: 1.0420286701111179 Energy: 1.0602180290534533 Energy: 1.0729483164483238 Energy: 1.1594512704169209 Energy: 1.018406570263587 Energy: 1.003675257088568 Energy: 1.0107184565641738 Energy: 1.0067370622302128 Energy: 0.9946981375086675 Energy: 1.091870636334845 Energy: 1.0084901015142815 Energy: 0.9796937579111938 Energy: 1.0044327604621732 Energy: 1.0499922719030985 Energy: 1.0551874917868949 Energy: 0.9804688797218026 Energy: 0.9806666487773853 Energy: 1.004357289108876 Energy: 1.0967657680555822 Energy: 1.044829306613372 Energy: 1.0041834131995941 Energy: 1.014391506378322 Energy: 1.0222207796599634 Energy: 1.0593392428408988 Energy: 0.9921460946411873 Energy: 0.9623639325504313 Energy: 1.0133818701960877 Energy: 0.9972153481325003 Energy: 0.9907273991601206 Energy: 1.0103499099081215 Energy: 0.9992280363619079 Energy: 0.9941609574908514 Energy: 0.9833210914715689 Energy: 1.0118482381370084 Energy: 1.0045881961679057 Energy: 0.9711211445498362 Energy: 1.0397199442105216 Energy: 0.9913264393274965 Energy: 1.0799777760207494 Energy: 1.0486660167679096 Energy: 1.0597903561279916 Energy: 1.0584070853822194 Energy: 1.0328212963131276 Energy: 1.0888311573978737 Energy: 1.0373253323653497 Energy: 1.0698170035342758 Energy: 1.0320736076634196 Energy: 0.989843455352883 Energy: 0.9848454246465808 Energy: 1.0019113184247812 Energy: 1.0117422119033233 Energy: 0.9913298025478923 Energy: 0.9816935876801989 Energy: 1.0173216672309529 Energy: 1.0486550806182184 Energy: 0.9743005728352433 Energy: 0.9972135242786287 Energy: 1.0068152179575631 Energy: 0.9968758532290822 Energy: 0.9982199352699493 Energy: 1.09070561310867 Energy: 1.0228189140974682 Energy: 0.9924569293260636 Energy: 1.058644300521681 Energy: 1.0067063035432753 Energy: 1.0811885186654284 Energy: 1.0166192354606107 Energy: 0.9828601617834241 Energy: 1.0001973519489091 Energy: 0.9812733635533808 Energy: 0.9932279366189302 Energy: 0.9885067960690564 Energy: 0.9659524589039142 Energy: 1.0172916954808038 Energy: 0.9773574792305472 Energy: 0.9954682696465379 Energy: 0.9817672064390293 Energy: 0.9952529447618601 Energy: 1.0111997924942977 Energy: 0.9719153302616479 Energy: 1.0345114667014554 Energy: 1.0424787063259406 Energy: 1.0634984326186034 Energy: 1.014758371853127 Energy: 1.075599261942883 Energy: 1.1057112272867027 Energy: 0.9974082740323561 Energy: 1.049852678729035 Energy: 0.9968771197682613 Energy: 0.9816279796727367 Energy: 1.0089754571297083 Energy: 0.9975149324296408 Energy: 0.984733161780891 Energy: 0.9479119823075423 Energy: 0.9703264553048119 Energy: 1.0060047074720317 Energy: 1.035785179075438 Energy: 0.9951106768025094 Energy: 1.0411821806243915 Energy: 0.9826462289932605 Energy: 0.9690576951524518 Energy: 0.9445346824307832 Energy: 1.0154122215494719 Energy: 1.0474778029566063 Energy: 0.998371046772554 Energy: 1.0747245121978608 Energy: 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1.0429226347566838 Energy: 0.9179536143634321 Energy: 0.919013673134633 Energy: 0.9820944593280335 Energy: 0.9142956200623689 Energy: 0.982971104512162 Energy: 0.9585039855549455 Energy: 0.9704094257071848 Energy: 0.9214162756294982 Energy: 0.9119596535347639 Energy: 0.9896005867157999 minimum gb energy = 0.9106199630898033 eV minimum distance = 2.57672640035007 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 1.2022963567724312 Energy: 1.0419325469056147 Energy: 1.1159386769022186 Energy: 1.260760232665839 Energy: 1.0332651306689025 Energy: 1.0270331780889772 Energy: 1.1127914143145483 Energy: 1.0616876509595197 Energy: 0.9886708777101725 Energy: 0.9990938994080245 Energy: 1.0157010962844661 Energy: 1.0581682136932045 Energy: 1.0944752504817712 Energy: 1.0595926129592443 Energy: 0.9799023342998626 Energy: 0.9823941475018506 Energy: 0.986100813344036 Energy: 1.0849665613567125 Energy: 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1.1230452524470724 Energy: 0.9206390829287078 Energy: 1.0254387299266379 Energy: 0.9889059457657023 Energy: 0.9905990335210005 Energy: 1.1232751217733246 Energy: 1.0411545570069203 Energy: 1.045359262216581 Energy: 0.9544951726067513 Energy: 1.1319223734501163 Energy: 1.1203386961176238 Energy: 0.9743663562287523 Energy: 0.9686777941693981 Energy: 1.0762522747093224 Energy: 1.0571794769823735 Energy: 0.9720319764788972 Energy: 1.0235981117030106 Energy: 1.0077975720896137 Energy: 1.0389310274492045 Energy: 0.9886519179755853 Energy: 0.9065747587536174 Energy: 1.0427485495799458 Energy: 1.0197237771573437 Energy: 0.8710904786709274 Energy: 0.9425805986494744 Energy: 0.9770459907789074 Energy: 0.9965507407351027 Energy: 0.9347613331818015 Energy: 0.9988218003038932 Energy: 0.9723457172994334 Energy: 0.95981921475251 Energy: 0.9227523099607678 Energy: 0.9930331117095911 Energy: 0.9981800037349824 Energy: 1.0414215694599203 Energy: 0.9746835842344951 Energy: 0.9901662556187657 Energy: 0.9237287288320699 Energy: 0.9236082569991735 Energy: 0.9585654720089696 Energy: 0.9774740152347868 Energy: 1.0040565527303975 Energy: 0.9872693594309995 Energy: 0.9860806216942569 Energy: 1.0147437268529396 Energy: 1.0078732608476144 Energy: 1.006606560149991 Energy: 0.9704131742825897 Energy: 1.004888978562013 Energy: 0.9832244201959462 Energy: 1.0345485344009615 Energy: 0.9188449351706832 Energy: 1.082897045987156 Energy: 0.9572715484999224 Energy: 0.9618812020079194 Energy: 0.9602532743357732 Energy: 1.0484393456116545 Energy: 0.9791204280768827 Energy: 0.984090280511326 Energy: 0.9917999946794422 Energy: 1.0263246334446496 Energy: 1.1100262139500148 Energy: 1.1194267003848233 Energy: 1.0490903171860362 Energy: 1.0433134390347905 Energy: 1.1566841623717274 Energy: 0.9655423625424021 Energy: 1.1416890937392854 Energy: 1.1872047791410936 Energy: 0.9812674245057498 Energy: 0.9544915264685813 Energy: 1.0014290634432783 Energy: 1.1300680328059942 Energy: 1.1757337175688054 Energy: 1.164160594650831 Energy: 1.0704011448477448 Energy: 0.9297031332738218 Energy: 1.0455106616577108 Energy: 1.0400826365116347 Energy: 1.0021805770220895 Energy: 0.9816712498544576 Energy: 1.0170439269077145 Energy: 1.1771842760052855 minimum gb energy = 0.8710904786709274 eV minimum distance = 2.50627389625391 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 1.0760161780101163 Energy: 1.2251579751809782 Energy: 1.200322924088655 Energy: 1.0998391026961893 Energy: 1.1578555856844641 Energy: 1.1246682649089015 Energy: 1.2185521027351747 Energy: 1.1968846604759504 Energy: 1.178617845019131 Energy: 1.1610154474473717 Energy: 1.2407367123776174 Energy: 1.1997963194509411 Energy: 1.1727244791195304 Energy: 1.1599605129740171 Energy: 1.1248326546488834 Energy: 1.193263980856671 Energy: 1.1518766762735038 Energy: 1.1555908800795602 Energy: 1.1078957415363593 Energy: 1.1241571319624852 Energy: 1.1411034730722953 Energy: 1.1177482546235749 Energy: 1.2026117949676634 Energy: 1.0889820398658487 Energy: 1.0768486610895591 Energy: 1.1581768284103013 Energy: 1.128880400954756 Energy: 1.1875985226039163 Energy: 1.0942650808292866 Energy: 1.2020994878336762 Energy: 1.0726196384980737 Energy: 1.1299590104765507 Energy: 1.0862571922642048 Energy: 1.0638675709582175 Energy: 1.1223837069646407 Energy: 1.0231486129371952 Energy: 1.0595908351452952 Energy: 1.1104020144719717 Energy: 1.0613955169222158 Energy: 1.0188436981961597 Energy: 1.0421848458131042 Energy: 1.0795367325660177 Energy: 1.070902262841188 Energy: 1.0857591926380343 Energy: 1.1039991052285878 Energy: 1.0084214333774122 Energy: 1.100815284405991 Energy: 1.095474231815115 Energy: 1.1804750177736842 Energy: 1.0243909641736644 Energy: 1.0107517703312316 Energy: 1.0430183247540055 Energy: 1.1661071930613802 Energy: 1.1070194725280484 Energy: 1.007554711037686 Energy: 1.0590486388399007 Energy: 0.9450989223384059 Energy: 1.001417235766511 Energy: 1.097112456745871 Energy: 0.9919117362679317 Energy: 0.9920722622988791 Energy: 1.1475471624620939 Energy: 1.126548470679751 Energy: 1.0990363647543355 Energy: 1.1314077821362156 Energy: 1.0460023394946438 Energy: 0.9841587644672258 Energy: 0.9903631119703388 Energy: 1.0723026972822276 Energy: 1.0583557353996074 Energy: 1.1042607091378045 Energy: 1.0359490044325566 Energy: 0.9594779337678637 Energy: 1.0150785455005298 Energy: 1.0119072283625972 Energy: 1.0732328664519215 Energy: 1.0733129505563375 Energy: 0.9768978433931947 Energy: 0.9477449760634382 Energy: 1.1531794001006634 Energy: 1.112507270289132 Energy: 1.0742943850180273 Energy: 1.095498598135891 Energy: 1.0952860679550238 Energy: 1.0091139734088967 Energy: 0.9964550802048796 Energy: 1.027178723121722 Energy: 1.1200204642721192 Energy: 1.1088885956662538 Energy: 1.0432239290580652 Energy: 1.0383177249886013 Energy: 1.0634184727699367 Energy: 1.0388762184758358 Energy: 1.0344176498696869 Energy: 1.0624140554779995 Energy: 1.0237466239306492 Energy: 1.0537557812357132 Energy: 1.0724875047983609 Energy: 1.0120572914481532 Energy: 1.1525716191644277 Energy: 1.0556161285689576 Energy: 1.0359045092899926 Energy: 0.9828922967942371 Energy: 1.0864554693113186 Energy: 1.1040008621725241 Energy: 1.0786263921739527 Energy: 1.0951129949570249 Energy: 1.0552894215549633 Energy: 1.121735102426972 Energy: 1.1188788075701226 Energy: 1.1107194804623963 Energy: 1.1104480765825784 Energy: 1.0725720115071424 Energy: 1.1692066861007138 Energy: 1.0801867264984386 Energy: 1.143992434837135 Energy: 1.1394315201919893 Energy: 1.1209043082502235 Energy: 1.098998468325679 Energy: 1.0706407916661236 Energy: 1.1155855422998948 Energy: 1.0982042356858512 Energy: 1.126682083892637 Energy: 1.0681090168003269 Energy: 1.1263136835254428 Energy: 1.0738461863172568 Energy: 1.1573291377835675 Energy: 1.1881634205688487 Energy: 1.191854528061307 Energy: 1.2059703663480061 Energy: 1.1260154347038998 Energy: 1.103515120775647 Energy: 1.2113622692515045 Energy: 1.1115907239520435 Energy: 1.2787627990058092 Energy: 1.095387170280758 Energy: 1.2111684561764526 Energy: 1.1476242975358346 Energy: 1.1240167432963397 Energy: 1.2814354087283053 Energy: 1.1682466118962644 Energy: 1.1841524382568358 Energy: 1.1199223385150487 Energy: 1.1623236841887183 Energy: 1.0761955122446327 Energy: 1.087646484986984 Energy: 1.0841582361978432 Energy: 1.1557757829134523 Energy: 1.1660045361183082 Energy: 1.1235055797537976 Energy: 1.1326152446800954 Energy: 1.0536051501051757 Energy: 1.0808254276657763 Energy: 1.126783813371749 Energy: 1.099063748363734 Energy: 1.1680433620766872 Energy: 1.1139717804755829 Energy: 1.0947247632823576 Energy: 1.1619700984476036 Energy: 1.1183320415437463 Energy: 1.2222970461811173 Energy: 1.091585071694771 Energy: 1.1791951172467565 Energy: 1.0829720113138583 Energy: 1.1446558902056898 Energy: 1.2024738258897394 Energy: 1.103353426414604 Energy: 1.2690748669118208 Energy: 1.059176428825413 Energy: 1.1830279259158563 Energy: 1.150612069535564 Energy: 1.150226941728258 Energy: 1.066827616061323 Energy: 1.1491698587626835 Energy: 1.0303982505770406 Energy: 1.1084999543455547 Energy: 1.2197838259389595 Energy: 1.0861823390362486 Energy: 1.191359807233729 Energy: 1.179007852741062 Energy: 1.1293271266381582 Energy: 1.2790743804393352 Energy: 1.040268381851175 Energy: 1.2007268305073002 Energy: 1.1556813414454776 Energy: 1.1233556375548248 Energy: 1.1010421870584668 Energy: 1.0949919838488713 Energy: 1.1221133256045739 Energy: 1.0223952970167247 Energy: 1.058338812424739 Energy: 1.0966510988657356 Energy: 1.0496763635500304 Energy: 1.0209325446964947 Energy: 1.0436290147279303 Energy: 1.1506497865003071 Energy: 1.0493206200750353 Energy: 1.0979820384231405 Energy: 1.1422070249841758 Energy: 1.1029236793379733 Energy: 1.0896191177882748 Energy: 1.0976942854021756 Energy: 1.1213962141290499 Energy: 1.0304769565901328 Energy: 1.0102392389073658 Energy: 1.0046992058556115 Energy: 1.1682615954836866 Energy: 1.106533686696226 Energy: 0.9765901503183141 Energy: 1.0598157836012847 Energy: 0.9498130969728816 Energy: 1.0024207294087155 Energy: 1.0962015235456122 Energy: 1.0048967152865087 Energy: 1.1029291523887221 Energy: 1.1480083837143178 Energy: 1.135032803256491 Energy: 1.0369305279024004 Energy: 1.1290218191653445 Energy: 1.025699757180168 Energy: 0.9921142763795903 Energy: 0.999338493862347 Energy: 1.1018434820127527 Energy: 1.0164854869404902 Energy: 1.1014105263772191 Energy: 1.0385739856925469 Energy: 0.9910857609847019 Energy: 1.015289672452678 Energy: 1.0119293638809501 Energy: 1.0864058467616518 Energy: 1.0739278598994126 Energy: 0.9738006742584607 Energy: 1.015237502029629 Energy: 1.1259328540091458 Energy: 1.0220243967896987 Energy: 1.1039901496390137 Energy: 1.0963137340188374 Energy: 1.0871180639070068 Energy: 1.0329852890605213 Energy: 0.9955136653685984 Energy: 1.0238056368839215 Energy: 1.1201572190563798 Energy: 1.108515551881803 Energy: 1.0453651370747408 Energy: 1.0388959142717062 Energy: 1.058105719999601 Energy: 1.0744516102307473 Energy: 1.1369635957289028 Energy: 1.0587158815419004 Energy: 0.9995739891700017 Energy: 1.137371055803976 Energy: 1.072883470105621 Energy: 0.9711267952075253 Energy: 1.154067304765905 Energy: 1.0611638488488984 Energy: 0.9869724127705103 Energy: 0.9826468917016613 Energy: 1.0372434002292965 Energy: 1.0337409013599832 Energy: 1.0930854569825492 Energy: 1.0969621944103738 Energy: 1.0536075492015924 Energy: 1.0781893723447795 Energy: 1.121847211700896 Energy: 1.1140545530248696 Energy: 1.11180289246834 Energy: 1.0900988593789742 Energy: 1.0781672732039629 Energy: 1.0759415805596462 Energy: 1.0519648250192233 Energy: 1.1379487489703655 Energy: 1.0728740765677147 Energy: 1.0704982892133574 Energy: 1.0719426172325142 Energy: 1.1164715758074106 Energy: 1.0986523261715422 Energy: 1.12459741616302 Energy: 1.1079249257999446 Energy: 1.1306390268654058 Energy: 1.1381019744534688 Energy: 1.1655141603893475 Energy: 1.1861230278370458 Energy: 1.0627757924280754 Energy: 1.2166694473556132 Energy: 1.206625869151301 Energy: 1.1448709122495941 Energy: 1.2077830169896193 Energy: 1.1152084931089066 Energy: 1.2312664370266668 Energy: 1.1208902765809619 Energy: 1.0938013874583559 Energy: 1.0946036206679812 Energy: 1.1304678501393528 Energy: 1.1599240295993973 Energy: 1.1681557389008892 Energy: 1.1880014402841441 Energy: 1.0598171684620672 Energy: 1.140277236073483 Energy: 1.053874308342431 Energy: 1.0865480392127196 Energy: 1.090259912139897 Energy: 1.1592444092450573 Energy: 1.1642292328161243 Energy: 1.120325971859416 Energy: 1.134687144486159 Energy: 1.0768776915193634 Energy: 1.0954862724096937 Energy: 1.1241287195678051 Energy: 1.0690594080356164 Energy: 1.2000687190501902 Energy: 1.1156034927908145 Energy: 1.173029624942917 Energy: 1.1701602867514262 Energy: 1.1335707609414059 Energy: 1.221992286134706 minimum gb energy = 0.9450989223384059 eV minimum distance = 2.49170187008701 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 1.0364889486123434 Energy: 0.9900853375724669 Energy: 0.9931773385108289 Energy: 0.9964677687493527 Energy: 0.9997170970914872 Energy: 0.9928453472664481 Energy: 0.9916410023187192 Energy: 1.0284439378889816 Energy: 1.1455553191827288 Energy: 0.9603914497570315 Energy: 0.9744425999739688 Energy: 0.9576392757045873 Energy: 0.9593263885183422 Energy: 1.1441208696699792 Energy: 1.0121974810386287 Energy: 1.156075468684539 Energy: 0.9607142204735943 Energy: 0.9770405168707289 Energy: 0.9743445190610284 Energy: 0.9609247272177737 Energy: 0.9784412023897064 Energy: 1.0119857868269257 Energy: 1.17460201964192 Energy: 0.9580625094194369 Energy: 0.9898643861288351 Energy: 0.993371642110519 Energy: 0.9580377720438887 Energy: 0.9809330391693257 Energy: 1.0295922152499108 Energy: 1.1435857708013768 Energy: 0.9307638107221642 Energy: 1.1562989178012575 Energy: 0.9581277529541309 Energy: 0.9325171833187207 Energy: 1.1407136554876072 Energy: 1.0154736162458715 Energy: 1.1783520841974218 Energy: 0.9745918576531956 Energy: 0.9956066101083552 Energy: 0.9982503977862528 Energy: 0.9751446072713479 Energy: 0.9892508523192998 Energy: 1.0031046373739716 Energy: 1.1507298405386817 Energy: 0.961289405763221 Energy: 0.9741413889406241 Energy: 0.959948829061047 Energy: 0.9598460698117651 Energy: 1.1477626165476682 Energy: 1.0115235662581612 Energy: 1.1432603696158048 Energy: 0.9616697995364228 Energy: 0.9764414607208165 Energy: 0.9741056555235201 Energy: 0.9587195183545912 Energy: 1.151805265373163 Energy: 1.0142188466808495 Energy: 1.1786903189622013 Energy: 0.9582655315573256 Energy: 0.9927160274843402 Energy: 0.9968599402319682 Energy: 0.9741645349456695 Energy: 0.9846483351478357 Energy: 1.0407631378115054 Energy: 1.1436991100320741 Energy: 0.9327732628446154 Energy: 1.1503141526793959 Energy: 1.1493378352142403 Energy: 0.9353091496672001 Energy: 1.140305988077813 Energy: 1.0141291436074826 Energy: 1.1762522573541319 Energy: 0.9587281852889569 Energy: 0.9921333502220772 Energy: 0.9953401058036052 Energy: 0.9585031665730743 Energy: 0.9847744614748777 Energy: 1.011800002903018 Energy: 1.1436714033536457 Energy: 0.9619615951871103 Energy: 0.9767139546637257 Energy: 0.9781204395843365 Energy: 0.9614980419717554 Energy: 1.14484362972611 Energy: 1.0020589413087913 Energy: 1.147685524142446 Energy: 0.9614526289316966 Energy: 0.9769151965836472 Energy: 0.9577708144009414 Energy: 0.9602797061609347 Energy: 1.1453408129607736 Energy: 1.0163257042784664 Energy: 1.1819953984105327 Energy: 0.9767355732490709 Energy: 0.9964348701720767 Energy: 0.9971518569535093 Energy: 0.9786256660593798 Energy: 0.9902545382931182 Energy: 1.029741057485874 Energy: 1.1430014179517047 Energy: 0.932551148555942 Energy: 0.9742360718030361 Energy: 0.9563059035670384 Energy: 0.9600408247430448 Energy: 1.1391571511301806 Energy: 1.0121056640074297 Energy: 1.1614851687074754 Energy: 0.9591246287847124 Energy: 0.9886504923505358 Energy: 0.9782550245937379 Energy: 0.9579176213950573 Energy: 0.980206955842866 Energy: 1.0112508262351916 Energy: 1.159377221588461 Energy: 0.9604191268981733 Energy: 0.9775221658204829 Energy: 0.978616092467042 Energy: 0.9594218694276105 Energy: 0.9800907495864479 Energy: 1.0296906280329932 Energy: 1.1443658549357612 Energy: 0.9605791458459391 Energy: 0.9734553897481113 Energy: 0.9577274546856481 Energy: 0.9598614450479858 Energy: 1.1419161491212915 Energy: 1.0038926414920168 Energy: 1.1753341638345889 Energy: 0.9805532853444492 Energy: 0.9957470997146832 Energy: 0.998827222013776 Energy: 0.9829152303629572 Energy: 0.9911081723189301 Energy: 1.0025250079304373 Energy: 1.146303205110039 Energy: 0.9600352477055477 Energy: 0.9741661443303687 Energy: 0.957055266495568 Energy: 0.9604845656357253 Energy: 1.1444319300185757 minimum gb energy = 0.9307638107221642 eV minimum distance = 2.54731998462634 Angstroms sigma value = 23