Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdCu__MO_353393547686_001 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.613315671682358 cohesive_energy=3.540278438572939 mass=63.546 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=120.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.91030724425088e-19, 2.5288755991056e-19, 2.99259358228422e-19, 3.36904100420886e-19, 3.6864161736379197e-19, 3.9597955726973396e-19, 4.19835967349994e-19, 4.4082287907876e-19, 4.593760845004799e-19, 4.758192232952219e-19, 4.90397428487988e-19, 5.033077678047599e-19, 5.1471045890893795e-19, 5.24735278107876e-19, 5.33491173412686e-19, 5.410710710681399e-19, 5.475550799059379e-19, 5.53012093521342e-19, 5.57504596803078e-19, 5.610854615800679e-19, 5.638011509746979e-19, 5.65694923756086e-19, 5.66806834340082e-19, 5.67170528436e-19, 5.6677799516067e-19, 5.655042647366399e-19, 5.63182710793974e-19, 5.59617867783324e-19, 5.54571011386224e-19, 5.47753749808554e-19, 5.388184107207359e-19, 5.273404173147599e-19, 5.12797460007942e-19, 4.945454637934139e-19, 4.717801360009079e-19, 4.4349851405754e-19, 4.0842846971591395e-19, 3.6495180457568995e-19, 3.1097928030613195e-19, 2.43793605335976e-19, 1.5981119118795419e-19, 5.42423308147236e-20, -7.94106031229028e-20, -2.50130213923446e-19, -4.70544857816094e-19, -7.588629518109299e-19, -1.1419770307096438e-18, -1.6608483423370797e-18, -2.38014554217138e-18, -3.40648387214544e-18, -4.925090972915999e-18, -7.279890080737499e-18, -1.1166866725419539e-17, -1.81677217235796e-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: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.015462999954541262 Energy: 0.02013959602394187 Energy: 0.11046300439596214 Energy: 0.11054337557102127 Energy: 0.01928672760278863 Energy: 0.01670771843881783 Energy: 0.10975121570715832 Energy: 0.10914402812713585 Energy: 0.11004592647225693 Energy: 0.018492129481898337 Energy: 0.01574600280916538 Energy: 0.1092485809091939 Energy: 0.10993472450112901 Energy: 0.7251850072885814 Energy: 0.11128430293654298 Energy: 0.10959245495821512 Energy: 0.10938422939938039 Energy: 0.10944207625616845 Energy: 0.723246714843759 Energy: 0.11105363505410105 Energy: 0.11162965921554194 Energy: 0.016246350194785094 Energy: 0.01583601986219083 Energy: 0.10935351875788608 Energy: 0.7241835674671772 Energy: 0.11106686509131904 Energy: 0.018607063850905034 Energy: 0.015757262420086873 Energy: 0.10917845787293602 Energy: 0.7286952849210376 Energy: 0.7325367720055193 Energy: 0.01696074968291745 Energy: 0.016860534193184725 Energy: 0.10902324558052735 Energy: 0.10932072814207994 Energy: 0.10921762212298892 Energy: 0.01658001432561794 Energy: 0.015990466053331678 Energy: 0.10880595850767599 Energy: 0.1095573743861908 Energy: 0.7353077964818648 Energy: 0.10992182753475276 Energy: 0.11218286247876337 Energy: 0.017193227802962684 Energy: 0.01649174445083423 Energy: 0.7285602398110614 Energy: 0.11164402843011668 Energy: 0.11162399151126282 Energy: 0.01800907491513747 Energy: 0.1088641234539722 Energy: 0.11216740164570066 Energy: 0.7227364751897456 Energy: 0.11037517575019623 Energy: 0.016556266091819108 Energy: 0.01568211912308428 Energy: 0.1109551686501617 Energy: 0.7205902606673881 Energy: 0.11077469820909241 Energy: 0.017111100833092377 Energy: 0.015715953849215362 Energy: 0.015762977187126718 Energy: 0.11204369163478647 Energy: 0.725820741321148 Energy: 0.11092354178581743 Energy: 0.11226170325186959 Energy: 0.015729305445249885 Energy: 0.11282931993323651 Energy: 0.7308612169625116 Energy: 0.11029320327092795 Energy: 0.11280261924022118 minimum gb energy = 0.015462999954541262 eV minimum distance = 2.51970566696316 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 1.2219991283074803 Energy: 1.0879889742832753 Energy: 0.9771981177506203 Energy: 0.9786108869826015 Energy: 1.0817807922891343 Energy: 1.1860008767396595 Energy: 1.0481979288970298 Energy: 0.9782504888158334 Energy: 0.9767955198430801 Energy: 1.0852951495108831 Energy: 1.0753738998178821 Energy: 1.2921016190320433 Energy: 0.9886547290013111 Energy: 0.8707250543440033 Energy: 1.025718447418033 Energy: 1.2613750175995933 Energy: 1.241513620656689 Energy: 0.9889352593200492 Energy: 0.8719592078058975 Energy: 1.0245116868321789 Energy: 0.980349790139461 Energy: 1.4388180730978526 Energy: 1.5176053194336256 Energy: 1.002690470594261 Energy: 0.9820966947693356 Energy: 0.9041046547223257 Energy: 1.4381497458171373 Energy: 1.5097235078986369 Energy: 0.9974251892646612 Energy: 0.9848128459719547 Energy: 0.9795154264645096 Energy: 1.0032955475955654 Energy: 1.4280387498619365 Energy: 1.1505229050121437 Energy: 0.9775315177639563 Energy: 0.9906852298930986 Energy: 0.9811598195511959 Energy: 1.4309531256974632 Energy: 1.196543492706652 Energy: 0.9789445519077408 Energy: 1.2391988703811516 Energy: 1.219770247656141 Energy: 1.1904888227507087 Energy: 1.3378808268618096 Energy: 1.2319581946982239 Energy: 1.3173221171803489 Energy: 1.109866760815577 Energy: 1.1633536571727088 Energy: 1.3370322010333853 Energy: 1.2142666710883852 Energy: 1.1121646476033384 Energy: 1.2260573739244591 Energy: 1.142228874243666 Energy: 1.1694578980356847 Energy: 1.289989858359945 Energy: 1.2250439730162592 Energy: 1.2345347523283106 Energy: 1.1334663993690082 Energy: 1.3434913548522835 Energy: 1.282915564121722 Energy: 1.031826847498135 Energy: 1.222191667771953 Energy: 1.3877318869820348 Energy: 1.073493374417104 Energy: 1.0309427445319956 Energy: 1.026160789698438 Energy: 1.1946099666085055 Energy: 1.4587610681974819 Energy: 1.091721385567019 Energy: 1.0447153879291018 Energy: 1.019264330086125 Energy: 1.0413098363280169 Energy: 1.1673853710489284 Energy: 1.1454479892590317 Energy: 1.0349368986986478 Energy: 1.0199010890589946 Energy: 1.0309999761444157 Energy: 1.156540126223853 Energy: 1.1425763468678625 Energy: 1.0254602485796862 Energy: 1.0232549950987009 Energy: 0.9448301821757095 Energy: 1.0813681561318513 Energy: 1.4006228185079297 Energy: 1.0410396791044505 Energy: 1.0208729240037835 Energy: 0.9695186586281294 Energy: 1.0328394785543236 Energy: 1.4024154970810734 Energy: 1.080865147163587 Energy: 1.1564373214731718 Energy: 1.0130977578595286 Energy: 0.8870943502221741 Energy: 0.9609024374670352 Energy: 1.442465970513793 Energy: 0.9664347893470144 Energy: 1.013179452856553 Energy: 0.9006562128035948 Energy: 0.958145636717456 Energy: 1.5149688034138467 Energy: 1.2335618739102627 Energy: 0.9710946934249856 Energy: 0.9969254781420782 Energy: 0.9419884442565041 Energy: 1.439963801516547 Energy: 1.4354102402319122 Energy: 0.9150234526113338 Energy: 0.9976029471201207 Energy: 0.9620463319174379 Energy: 1.437852623220618 Energy: 1.2962866677994422 Energy: 1.0142460206634543 Energy: 1.2523830552072315 Energy: 1.1880247531255426 Energy: 1.2366772345464143 Energy: 1.3111770280594321 Energy: 0.8565687887242149 Energy: 1.2927882618265694 Energy: 1.1697920751905948 Energy: 1.165197379252542 Energy: 1.1226763916680584 Energy: 1.343115562248885 Energy: 1.2071467887396428 Energy: 1.2285901239327568 Energy: 1.1847616431361367 Energy: 1.1187627467342303 Energy: 1.316779767093102 Energy: 1.1406579594990611 Energy: 1.2254728183484171 Energy: 1.1174506743741308 Energy: 1.1625789080559459 Energy: 1.073914444239416 Energy: 1.0866314972804176 Energy: 1.2372281504391054 Energy: 1.358279388369931 Energy: 1.1634441001531577 Energy: 1.249257207142295 Energy: 1.077345047937032 Energy: 1.2364183760868015 Energy: 1.359976831800285 Energy: 1.1165479750603091 Energy: 1.170732241919045 Energy: 1.0519111321484673 Energy: 1.0483120540360054 Energy: 1.1690239299802743 Energy: 1.1178223972367145 Energy: 1.1718806953643077 Energy: 1.0497110970876538 Energy: 1.0493504270176075 Energy: 1.1629111595703496 Energy: 1.197953159736318 Energy: 1.410418536671436 Energy: 1.115630552873464 Energy: 0.9580920156826603 Energy: 0.8428894070318702 Energy: 1.524638928948492 Energy: 1.402990702285344 Energy: 1.0532979375705698 Energy: 0.9557026636529379 Energy: 0.8407541354467497 Energy: 0.8974080238675499 Energy: 1.4376050716457653 Energy: 1.1171937357502315 Energy: 1.008486149123893 Energy: 1.0060630219120479 Energy: 0.8972599068546224 Energy: 1.4378576323099201 Energy: 1.116900166976286 Energy: 1.007298138281637 Energy: 1.003504589173895 Energy: 0.9645208796344514 Energy: 1.2481509002265614 Energy: 1.4332657574399026 Energy: 0.8366717693942626 Energy: 0.8776660785386109 Energy: 0.9713009608183041 Energy: 1.2403400544542842 Energy: 1.4330463986375617 Energy: 0.8374722583770796 Energy: 0.8772031498022428 Energy: 1.0344070210280658 Energy: 1.0651322321635308 Energy: 1.106255575408251 Energy: 1.3366655359527921 Energy: 1.2253814168603272 Energy: 1.0177907367495294 Energy: 1.0676347476933736 Energy: 1.3002517901293242 Energy: 1.3377269474865137 Energy: 1.226318832708123 Energy: 1.1146812789904683 Energy: 1.2254128212609454 Energy: 1.1490959276401158 Energy: 1.2337010294827018 Energy: 1.3007912644893165 Energy: 1.2389759699270733 Energy: 1.2276489332862988 Energy: 1.1319443866772994 Energy: 1.0086668278326767 Energy: 1.32347414360587 Energy: 1.1613114248703467 Energy: 1.2208734368168468 Energy: 1.3152156160687714 Energy: 1.0948180824581244 Energy: 1.1737649530272949 Energy: 1.1480556645091806 Energy: 1.1779581014396747 Energy: 1.4681837595769955 Energy: 1.0822974526227678 Energy: 1.171801185095727 Energy: 1.0167138246064518 Energy: 1.0414449716662406 Energy: 1.4211662566084333 Energy: 1.144835340938116 Energy: 1.0434582750709527 Energy: 1.0169681121096616 Energy: 1.0405872570578318 Energy: 1.406630140568021 Energy: 1.1443256493223297 Energy: 1.0296901594946561 Energy: 1.0314906325824065 Energy: 0.9802536847757604 Energy: 1.0384719318433924 Energy: 1.4001977466685427 Energy: 1.0982255407449582 Energy: 1.0289010782035457 Energy: 0.9682487489028238 Energy: 1.0344973199660963 Energy: 1.39508699399998 Energy: 1.0764773188827577 Energy: 1.0273946104856106 Energy: 1.0350301168393703 Energy: 0.8923741336080627 Energy: 1.019251042425832 Energy: 1.4332160652313022 Energy: 1.062740566812559 Energy: 1.0341515775902812 Energy: 0.900225836903048 Energy: 1.3437200905171247 Energy: 1.4487482064481267 Energy: 1.205749921995996 Energy: 0.9435954256860546 Energy: 0.996293993981905 Energy: 0.9773749297419245 Energy: 1.434552049303815 Energy: 1.4011736214727775 Energy: 0.9417264689392855 Energy: 0.9816950048500078 Energy: 1.01080605654793 Energy: 1.4325837312092626 Energy: 1.35753905952344 Energy: 1.0510970059688105 Energy: 1.0936923490486075 Energy: 1.1999423072025563 Energy: 1.127706969449642 Energy: 1.3014796102234598 Energy: 1.1817485471559066 Energy: 1.0144403445238293 Energy: 1.2111385480096155 Energy: 1.1061429508826432 Energy: 1.169272002933355 Energy: 1.006388692718302 Energy: 1.1915848902831887 Energy: 1.2271130285304104 Energy: 1.1592282561181018 Energy: 1.0919733897130859 Energy: 1.3201676858642941 Energy: 1.157048033691951 Energy: 1.2241415235642703 Energy: 1.1373031388590764 Energy: 1.1520536160427175 Energy: 1.1461298844604817 Energy: 0.9831401302988589 Energy: 1.0868795645917324 Energy: 1.3791582814915575 Energy: 1.0830513365149836 Energy: 1.188725094448507 Energy: 0.9927882532386484 Energy: 1.0824571073654778 Energy: 1.1668806467392014 Energy: 1.2254391724503217 Energy: 1.0703717353916364 Energy: 0.981724078373107 Energy: 0.9790551687731159 Energy: 1.0556376410313804 Energy: 1.190044999141356 Energy: 1.0503515426539698 Energy: 0.9813676659437172 Energy: 0.9788670173390107 Energy: 1.078115686802766 minimum gb energy = 0.8366717693942626 eV minimum distance = 2.27155953683592 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 1.6281905035483628 Energy: 1.230697960084158 Energy: 1.2115121566220992 Energy: 1.2128735402580435 Energy: 1.1611967486991126 Energy: 1.5167212862621628 Energy: 1.160520469166389 Energy: 1.2151205731015604 Energy: 1.2159795524159482 Energy: 1.2190739026286086 Energy: 1.3069207999331347 Energy: 1.181732842609428 Energy: 1.0283768400787672 Energy: 1.0126712584699737 Energy: 1.0309230511055743 Energy: 1.361627267851126 Energy: 1.0703124466998835 Energy: 1.0528774113231607 Energy: 1.0777942198765604 Energy: 1.0738874938579295 Energy: 1.1773923730853828 Energy: 1.2063366842747285 Energy: 1.205616807819195 Energy: 1.0562898100582574 Energy: 1.0473517930430716 Energy: 1.0173211712513615 Energy: 1.2059483436536014 Energy: 1.2057468835063772 Energy: 1.1315482961324599 Energy: 1.0340174685176753 Energy: 1.006793952335005 Energy: 1.2701110832116416 Energy: 1.1560771924085567 Energy: 1.262004105386204 Energy: 1.0254984978773818 Energy: 0.9767553016230061 Energy: 1.2587279481517775 Energy: 1.0452790746350615 Energy: 1.0910419188388942 Energy: 1.0257367515628395 Energy: 1.0571054348706475 Energy: 1.2560508381341653 Energy: 1.2289124695803197 Energy: 1.2381574466669747 Energy: 1.0423378335498783 Energy: 1.259320249254919 Energy: 1.255781617292001 Energy: 1.2395561579745351 Energy: 1.2070675940150732 Energy: 1.0235890422948313 Energy: 1.0252959901980525 Energy: 1.4961658336502612 Energy: 1.2533856189081485 Energy: 1.2528517198511542 Energy: 1.1971778635313692 Energy: 1.0252831460118945 Energy: 1.4938812641316075 Energy: 1.1633844886445668 Energy: 1.2341192416442655 Energy: 1.1421358061957156 Energy: 1.02582799210912 Energy: 1.3806763385682927 Energy: 1.0259976549798884 Energy: 1.266343610213498 Energy: 1.0686913223225771 Energy: 1.0519328767332423 Energy: 1.2773199472487362 Energy: 1.0375283410340435 Energy: 1.221975702934137 Energy: 1.0622987097938528 Energy: 1.0387371851767417 Energy: 1.0274883070555945 Energy: 1.2062564273197314 Energy: 1.2058252126634117 Energy: 1.1133451659855096 Energy: 1.0385167249483467 Energy: 1.1308565860735464 Energy: 1.205966631641047 Energy: 1.2058643591058806 Energy: 1.036801839889617 Energy: 1.0257644795674912 Energy: 1.022388864953594 Energy: 1.0544381955264908 Energy: 1.0384371866920656 Energy: 1.243618821197303 Energy: 1.026022163529267 Energy: 1.0363209065604995 Energy: 1.0741642173344648 Energy: 1.1007813097614843 Energy: 1.094925060891778 Energy: 1.0375015135585262 Energy: 1.2528647974456275 Energy: 1.0371506567766635 Energy: 1.2450970991632941 Energy: 1.191637820069795 Energy: 1.0363018119288858 Energy: 1.2960786523446957 Energy: 1.063242905879766 Energy: 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Energy: 1.1756896842121842 Energy: 1.205951009568797 Energy: 1.1217687471697015 Energy: 1.0253994698147808 Energy: 1.0249441267190884 Energy: 1.1895203754632873 Energy: 1.2079729543766415 Energy: 1.224419486206367 Energy: 1.299867662017345 Energy: 1.0027335408491227 Energy: 1.044614108226885 Energy: 1.0004874114266464 Energy: 1.1555158312477052 Energy: 1.0780085798885761 Energy: 1.0857578808390698 Energy: 1.3708058356908104 Energy: 1.0026120950484354 Energy: 1.208741952503264 Energy: 1.2202619687689074 Energy: 1.273121726334625 Energy: 1.2860865491336582 Energy: 1.0258950809719256 Energy: 1.192178516832288 Energy: 1.1936948332205317 Energy: 1.2857447324036826 Energy: 1.2872195698552713 Energy: 1.016312271578305 Energy: 1.0690232613364923 Energy: 1.2189718833465384 Energy: 1.0234638933588192 Energy: 1.2421289077677522 Energy: 1.2936413010584107 Energy: 1.0708712988261417 Energy: 1.2435154509752764 Energy: 1.0545412205155127 Energy: 1.269308741016366 Energy: 1.327724491486757 Energy: 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======================================== Energy: 1.2772478894890071 Energy: 1.0989430737017125 Energy: 1.0485623194630367 Energy: 1.0585502731070449 Energy: 1.1033942587934742 Energy: 1.2782896849156036 Energy: 1.036654927422028 Energy: 1.0481951020611342 Energy: 1.032347430282012 Energy: 1.0410622090245463 Energy: 1.028353589550439 Energy: 0.9438919216771611 Energy: 0.9421298786856747 Energy: 0.9437485810944076 Energy: 1.02823252364928 Energy: 1.1186631323129494 Energy: 0.9437219723579027 Energy: 0.9408317432166545 Energy: 0.9440116544329353 Energy: 1.0284150815362767 Energy: 0.9876017965270869 Energy: 0.9434897821017605 Energy: 0.940844342739628 Energy: 1.0531819166526906 Energy: 1.031085308598613 Energy: 0.9872038105676914 Energy: 0.9434376239918395 Energy: 0.9410604059658154 Energy: 1.0454484190633868 Energy: 1.2088436771453472 Energy: 1.2118618758598136 Energy: 1.0119700058488157 Energy: 1.0396887005100408 Energy: 1.0365702990044312 Energy: 1.1975071674226039 Energy: 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1.254630021787697 Energy: 1.430216085495508 Energy: 1.3608883998479646 Energy: 1.2464329943991461 Energy: 1.1671278011054118 Energy: 1.501199446482923 Energy: 1.3702079965720477 Energy: 1.3722518117424 Energy: 1.2470604462589 Energy: 1.180936867340079 Energy: 1.5007202537876534 Energy: 1.1586211091539216 Energy: 1.0590163524428744 Energy: 1.0942759398924908 Energy: 1.1388953821914316 Energy: 1.2417769360592144 Energy: 1.0852995648243695 Energy: 1.0586110286141848 Energy: 1.0958530866659313 Energy: 1.1816413680873659 Energy: 1.2520308396321889 Energy: 1.1186604926059756 Energy: 1.062927784756105 Energy: 1.0586119212953102 Energy: 1.2155342952311785 Energy: 1.183081886138856 Energy: 1.0988889013235204 Energy: 1.0650625375535017 Energy: 1.0717218724921647 Energy: 1.1820408713609163 Energy: 1.2132789509029613 Energy: 1.103741436579481 Energy: 1.2246398230515352 Energy: 1.3214077066485377 Energy: 1.3697256954804393 Energy: 1.3281965827776174 Energy: 1.1018005067799963 Energy: 1.2026066553813832 Energy: 1.3225728515470314 Energy: 1.366967188827308 Energy: 1.3271698540872385 Energy: 1.2597670814483815 Energy: 1.2371745539105414 Energy: 1.2282005233952484 Energy: 1.2375895863552628 Energy: 1.2993226335031096 Energy: 1.2326895137749432 Energy: 1.2630192080349125 Energy: 1.2285915503429625 Energy: 1.228198809314951 Energy: 1.300667670506209 Energy: 1.3584702197517124 Energy: 1.208597598946926 Energy: 1.1385407685753792 Energy: 1.2370483164826693 Energy: 1.289908761208924 Energy: 1.3754505650729711 Energy: 1.1651942003292197 Energy: 1.1397441417862972 Energy: 1.2338097770871554 Energy: 1.2911070481081157 Energy: 1.4170310355293836 Energy: 1.185782932048781 Energy: 1.178488052310729 Energy: 1.1370003810478162 Energy: 1.2115676307728602 Energy: 1.432640589518421 Energy: 1.187412072985724 Energy: 1.1770024457744246 Energy: 1.0786933517837602 Energy: 1.2557855469898083 minimum gb energy = 1.000082180579353 eV minimum distance = 2.28953522376797 Angstroms sigma value = 293 ======================================== theta = 91.16938280561406 ======================================== Energy: 1.3961136781885877 Energy: 1.0455552621363073 Energy: 1.135618366961624 Energy: 1.107798493759017 Energy: 1.3209621764907176 Energy: 1.396842413806391 Energy: 1.13839137911316 Energy: 1.1359163466185314 Energy: 1.1085219507062007 Energy: 1.2193438540705372 Energy: 1.2093747648103745 Energy: 1.0991694894921606 Energy: 1.0240668294622854 Energy: 1.024771176159779 Energy: 1.1682709493693932 Energy: 1.2699115232531784 Energy: 1.099281816783103 Energy: 1.0234485930762314 Energy: 1.0250081026425253 Energy: 1.316858348480864 Energy: 1.2958522831673818 Energy: 1.2098697116477755 Energy: 1.1009062086526797 Energy: 1.1070113060630469 Energy: 1.181902056291763 Energy: 1.2664956540475052 Energy: 1.2095276105475063 Energy: 1.10069414792082 Energy: 1.2348924717664873 Energy: 1.181912007292147 Energy: 1.1757726794493728 Energy: 1.3910484329571582 Energy: 1.4001791383138982 Energy: 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Energy: 1.339352504135621 Energy: 1.0736820174739976 Energy: 1.0204157181496043 Energy: 1.036146038779787 Energy: 1.2559002416386542 Energy: 1.6607757287301548 Energy: 1.1352725764865632 Energy: 1.0348832649643245 Energy: 1.0232941360070562 Energy: 1.3834346780469067 Energy: 1.5629232078611903 Energy: 1.134908876579738 Energy: 1.0344050488747385 Energy: 1.1848656233701265 Energy: 1.169782311190044 Energy: 1.2553347157897827 Energy: 1.1955960761319389 Energy: 0.99574566306006 Energy: 0.9965527415169092 Energy: 1.1700703379121522 Energy: 1.259940296107479 Energy: 1.1310188383894577 Energy: 0.9965126013618256 Energy: 1.0255398269725138 Energy: 1.2588208148958149 Energy: 1.3174429956357598 Energy: 1.30818491955914 Energy: 1.135482026749756 Energy: 1.1234478892913273 Energy: 1.2581693450052418 Energy: 1.3185443873376446 Energy: 1.306582445177886 Energy: 1.1362957927918114 Energy: 1.0800188153926027 Energy: 1.1850888940771673 Energy: 1.1601524324761552 Energy: 1.3033694998199359 Energy: 1.2544115500690467 Energy: 1.2913995560176177 Energy: 1.202190483864248 Energy: 1.1601169706824677 Energy: 1.3059596165402256 Energy: 1.0452256070762123 Energy: 1.257582063234305 Energy: 1.0229853725476856 Energy: 1.1081492037334104 Energy: 1.3781801689214523 Energy: 1.440720172382002 Energy: 1.024077384616927 Energy: 1.0233737807660899 Energy: 1.1083749917261558 Energy: 1.3600040843826904 Energy: 1.437967566412331 Energy: 1.023644272444465 Energy: 1.0228070720521463 Energy: 1.0255879739094196 Energy: 1.1053790469615261 Energy: 1.1853765093934812 Energy: 1.1033457909185962 Energy: 1.0221695805345004 Energy: 1.0250670717716717 Energy: 1.1562403760354 Energy: 1.1852500003935977 Energy: 1.1026785963975811 Energy: 1.10176680461688 Energy: 1.2201135959598106 Energy: 1.192777766036559 Energy: 1.2114093116372404 Energy: 1.1035750462815022 Energy: 1.10279545317312 Energy: 1.219530970376295 Energy: 1.2647006683372852 Energy: 1.2119424091464517 Energy: 1.1027929996857027 Energy: 1.3568141492021046 Energy: 1.3210082763445876 Energy: 1.2056591854739822 Energy: 1.2234754078116787 Energy: 1.3621007615473135 Energy: 1.2712306553766932 Energy: 1.349185467377151 Energy: 1.3660371269293614 Energy: 1.2912651799703116 Energy: 1.3643138885144324 Energy: 1.1094971907399351 Energy: 1.1007147329767304 Energy: 1.1786895457010742 Energy: 1.2278787154070203 Energy: 1.361774760867586 Energy: 1.152888989066015 Energy: 1.1003289974267678 Energy: 1.1801348463578427 Energy: 1.334634192870678 Energy: 1.3637375279646107 Energy: 1.024730195791883 Energy: 1.0207983165390504 Energy: 1.1029927946646418 Energy: 1.2598572676147772 Energy: 1.1401708236809431 Energy: 1.0249761074787946 Energy: 1.0231993074091037 Energy: 1.1036372714202944 Energy: 1.2556918313571164 Energy: 1.1712097185450567 Energy: 1.134212208916259 Energy: 1.0889911445333027 Energy: 1.1352697588476643 Energy: 1.5636561477091933 Energy: 1.3840491839880653 Energy: 1.0373286230093368 Energy: 1.0874771906234628 Energy: 1.1367369755673962 Energy: 1.6599887939810392 Energy: 1.3838582955380765 Energy: 1.1327315724026952 Energy: 0.9968618634167986 Energy: 1.025198474679651 Energy: 1.3395111859930606 Energy: 1.3058215468244232 Energy: 0.9966707595478802 Energy: 0.9962361924243414 Energy: 1.1826175606316633 Energy: 1.3398218065924767 Energy: 1.3094310603528274 Energy: 1.1798668742905392 Energy: 1.1378054548828196 Energy: 1.2080780913063827 Energy: 1.2645762026920349 Energy: 1.304587068704493 Energy: 1.2669265811499861 Energy: 1.1377060518204654 Energy: 1.2078754676976613 Energy: 1.2653172216180795 Energy: 1.3049438949458765 Energy: 1.3599980998913712 Energy: 1.346613188572284 Energy: 1.254546537306133 Energy: 1.1016794494897366 Energy: 1.1727873981573476 Energy: 1.3589914609500535 Energy: 1.2172795670121968 Energy: 1.1963475064066467 Energy: 1.1386743514615545 Energy: 1.1486564820668015 minimum gb energy = 0.9948653217413574 eV minimum distance = 2.31017601200638 Angstroms sigma value = 293 ======================================== theta = 101.5369590328155 ======================================== Energy: 0.9056991626659681 Energy: 0.9109954452450632 Energy: 1.0229606932707325 Energy: 1.3354265057236931 Energy: 0.9109580595005692 Energy: 0.9063158685724779 Energy: 0.9321944083831889 Energy: 1.0227669957503498 Energy: 1.3356557235169113 Energy: 0.910480586506465 Energy: 0.9089793267660992 Energy: 0.9303242259980138 Energy: 0.9281159070706138 Energy: 1.3366685376709304 Energy: 1.2776937834808149 Energy: 0.9941765527420622 Energy: 1.0981906759979658 Energy: 1.1003571480623082 Energy: 1.3368684013504282 Energy: 1.2782043694275222 Energy: 1.1321679725494012 Energy: 1.1731835090547702 Energy: 1.0976758366232848 Energy: 0.9300183132226076 Energy: 1.2414791875486055 Energy: 1.1320706337812485 Energy: 1.1723888233078676 Energy: 0.9302500113475897 Energy: 1.0234659219450133 Energy: 1.0265787302533433 Energy: 1.0245936526987185 Energy: 0.9085368924527407 Energy: 0.9106546196004895 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1.2419361589491 Energy: 0.9326954175719112 Energy: 0.9083290839494443 Energy: 0.9102225891926428 Energy: 1.132002232486204 Energy: 1.2408091967525783 Energy: 0.9313204500296545 Energy: 0.9078400657021176 Energy: 0.910116018848758 Energy: 0.9298751160781884 Energy: 1.0998489992713563 Energy: 1.3379172945819249 Energy: 0.9098500136608493 Energy: 0.9954640048964295 Energy: 0.9290882982264973 Energy: 0.9280663367628109 Energy: 1.3368571422715092 Energy: 0.9091847555615971 Energy: 0.9304547287869565 Energy: 1.0979127388111827 Energy: 0.9304727671965775 Energy: 1.2403349589945214 Energy: 1.1814652864414497 Energy: 1.174903587038053 Energy: 1.097342938761341 Energy: 0.9309320990465195 Energy: 1.2394984417471524 Energy: 1.182195212568725 Energy: 1.1740225535947395 Energy: 0.9086192713794541 Energy: 1.1313359813511932 Energy: 0.99623793003094 Energy: 1.0278081398390726 Energy: 0.994566581499338 Energy: 0.9090895494358198 Energy: 1.131575327585019 Energy: 0.911644021770547 Energy: 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1.039685561211921 Energy: 1.5330628107690436 Energy: 1.4781711827387032 Energy: 1.06964469708247 Energy: 1.045592049549045 Energy: 1.039738583887011 Energy: 1.4973535355552152 Energy: 1.460163225372476 Energy: 1.0700863638949214 Energy: 1.059030601280523 Energy: 1.1294032327502879 Energy: 1.2635401768851355 Energy: 1.3031200338770748 Energy: 1.0635617854753514 Energy: 1.0599941621074906 Energy: 1.0629191163493263 Energy: 1.434792252665937 Energy: 1.3236949084742868 Energy: 1.0629763748897314 Energy: 1.0401849348013734 Energy: 1.07374861239038 Energy: 1.1695405378431314 Energy: 1.1459594579262833 Energy: 1.1344784494775353 Energy: 1.0384346984359214 Energy: 1.1072802707088107 Energy: 1.1692923849448895 Energy: 1.160316151146007 Energy: 1.1373055938354186 Energy: 1.3126638030266515 Energy: 1.1839467108121613 Energy: 1.1043543689201434 Energy: 1.1559490760275195 Energy: 1.0163444451937522 Energy: 1.2771182403585528 Energy: 1.1162796670319184 Energy: 1.1046424600124458 Energy: 1.1822906793004977 Energy: 1.1295671322961067 Energy: 1.0263696032222407 Energy: 1.2534550071494448 Energy: 1.3542530995761155 Energy: 1.2095265964695712 Energy: 1.5226661968580797 Energy: 1.2105250009583814 Energy: 1.1753947052491596 Energy: 1.3840645531841922 Energy: 1.2102451961867051 Energy: 1.5224247096962384 Energy: 1.300149828220678 Energy: 1.284073714758232 Energy: 1.2811725059375796 Energy: 1.3338480129454269 Energy: 1.0089268827844402 Energy: 1.3017953368110464 Energy: 1.3308453534529225 Energy: 1.325303491802523 Energy: 1.3520928688310188 Energy: 1.0095582857295429 Energy: 1.1155067543195059 Energy: 1.3192328027190992 Energy: 1.0380280996581484 Energy: 0.9965837076133813 Energy: 0.996784464102397 Energy: 1.1143605238757845 Energy: 1.3181487112016812 Energy: 1.0384907998229131 Energy: 0.9959050787040745 Energy: 1.0098797813972855 Energy: 1.2233990183057302 Energy: 1.432668549678823 Energy: 1.1010349253539453 Energy: 1.0401303711533232 Energy: 0.9973289211251586 Energy: 1.2598327073739175 Energy: 1.4393354215837086 Energy: 1.0704916189373501 Energy: 1.007896197993835 Energy: 0.9968821848861984 Energy: 1.2698993531540457 Energy: 1.2638680514377614 Energy: 1.076038010319327 Energy: 1.1810791296695111 Energy: 1.2282840086443767 Energy: 1.2676131087712985 Energy: 1.3605756521302612 Energy: 0.9958397406029553 Energy: 1.1994806541443286 Energy: 1.1896377264009181 Energy: 0.9942465046594697 Energy: 0.9939015381974468 Energy: 1.1157762744447945 Energy: 1.2795699845755601 Energy: 1.1266516838680714 Energy: 0.993545656266857 Energy: 1.044521220180353 Energy: 1.1174318918740127 Energy: 1.3230043329055408 Energy: 1.1290240030186205 Energy: 1.005056685856168 Energy: 0.9945595525158457 Energy: 0.9971976402553697 Energy: 1.3867861971566156 Energy: 1.1071549054518115 Energy: 1.008771902946106 Energy: 0.9940820314402181 Energy: 1.0078771553499062 Energy: 1.088439473853158 Energy: 1.182321999746 Energy: 1.0146538380226553 Energy: 0.9954835349702617 Energy: 1.1445929266827815 Energy: 1.1444682159054096 Energy: 1.1513653466049327 Energy: 1.0620145253854174 Energy: 0.9956204957262843 Energy: 1.1428264236358774 Energy: 1.3629629205038754 Energy: 1.1811798842962888 Energy: 1.7352178529257347 Energy: 1.1429223279029919 Energy: 1.3605459546778873 Energy: 1.076675264543093 Energy: 1.1569773171829076 Energy: 1.398212442629739 Energy: 1.1446437871498503 Energy: 1.4197548004687977 Energy: 1.1155611346756038 Energy: 1.3842796841003124 minimum gb energy = 0.9841990668077852 eV minimum distance = 2.25988749023319 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 1.256130694843109 Energy: 1.2467470786647394 Energy: 1.2168190639381296 Energy: 1.3076342248613797 Energy: 1.2476697254272409 Energy: 1.2572102723039547 Energy: 1.1488839847933467 Energy: 1.2215343268023982 Energy: 1.3239310906678154 Energy: 1.5076589714727424 Energy: 0.9754369956363741 Energy: 1.2909446889886862 Energy: 1.0948731485302017 Energy: 1.10262869367158 Energy: 1.3442796605294158 Energy: 1.1633355952947455 Energy: 1.291037082711368 Energy: 1.0943893408428322 Energy: 1.2707535702038073 Energy: 1.1848829046436713 Energy: 1.107422398576149 Energy: 1.138834589658362 Energy: 1.1406296189070344 Energy: 1.1165703868408114 Energy: 1.034312093189583 Energy: 1.1091891485563492 Energy: 1.1383504341373785 Energy: 1.2497492370737964 Energy: 1.0606477151095854 Energy: 1.0365566933360277 Energy: 1.0835318875552609 Energy: 1.1051105115804873 Energy: 1.252345276785166 Energy: 1.096824220870555 Energy: 1.035926603843714 Energy: 1.0800459711222183 Energy: 1.0775471234317513 Energy: 1.2522818784543674 Energy: 1.0971755596141757 Energy: 1.0346742783313208 Energy: 1.2302189106018757 Energy: 1.453856475743607 Energy: 1.2137185050341297 Energy: 1.1015546144500143 Energy: 1.4090477741504392 Energy: 1.229675911311965 Energy: 1.454144973770744 Energy: 1.2105419356830338 Energy: 1.1019241702493385 Energy: 1.3804236146971303 Energy: 1.3419073453277968 Energy: 1.005970603769659 Energy: 1.0788276395155576 Energy: 1.1182934088909047 Energy: 1.2599724203444298 Energy: 1.195828643362684 Energy: 1.0057737825155464 Energy: 1.117807820182105 Energy: 1.11702520910424 Energy: 1.259674266588665 Energy: 1.1135778142733683 Energy: 1.0798487775617942 Energy: 1.068512215034713 Energy: 1.0824043462156958 Energy: 1.3291932760023053 Energy: 1.1135986014752244 Energy: 1.0748741118648593 Energy: 1.0688961889944688 Energy: 1.3873596525540972 Energy: 1.3350241535358307 Energy: 1.2347601106230714 Energy: 1.1118959407997964 Energy: 1.0510421723538497 Energy: 1.1795426284494133 Energy: 1.300370236395269 Energy: 1.1477383814518625 Energy: 1.1109212669028223 Energy: 1.1141080881839778 Energy: 1.1826514884367427 Energy: 1.3032528619144155 Energy: 1.1960046617541218 Energy: 1.3563496705816311 Energy: 1.3152915675160346 Energy: 1.3027684330022584 Energy: 1.1889364272492384 Energy: 1.1928473267245818 Energy: 1.3589493805808746 Energy: 1.2736971361840683 Energy: 1.3158227920127876 Energy: 1.1715740248302793 Energy: 1.2980681580408282 Energy: 1.2139294094733672 Energy: 1.145895863271599 Energy: 1.4172839924009657 Energy: 1.3392800508130376 Energy: 1.1721442691881223 Energy: 1.2110589970476942 Energy: 1.1486670396067935 Energy: 1.4157012686256938 Energy: 1.334758204416131 Energy: 0.9892857994438672 Energy: 0.9904582552184854 Energy: 1.2836001622156945 Energy: 1.3149037604178184 Energy: 1.3544486846197135 Energy: 0.9873763480431234 Energy: 0.9801860588800153 Energy: 1.2808282958672341 Energy: 1.265708869312365 Energy: 1.1166508872599492 Energy: 0.9879648111402435 Energy: 0.9900172359124328 Energy: 0.988151230868088 Energy: 1.3920934435784427 Energy: 0.9909121350949287 Energy: 0.9839049959982674 Energy: 0.9928474420791241 Energy: 1.0549133955805996 Energy: 1.3898042846481746 Energy: 0.9947296154536407 Energy: 0.9839995382180542 Energy: 1.209097482348527 Energy: 1.1816338291081925 Energy: 1.2451571324213735 Energy: 1.181870581482554 Energy: 0.987662511826356 Energy: 1.2130873861306641 Energy: 1.1826166497274573 Energy: 1.2541568693214111 Energy: 1.1196716514779357 Energy: 1.6444790958102553 Energy: 1.3231382529725035 Energy: 1.4619938754759454 Energy: 0.9901092072179684 Energy: 1.20056513944865 Energy: 1.6450724163828774 Energy: 1.3401685600945403 Energy: 1.46352902397584 Energy: 1.2318961363377146 Energy: 1.3257517224889421 minimum gb energy = 0.9754369956363741 eV minimum distance = 2.27537770586748 Angstroms sigma value = 33