Model name: model_name=EAM_Dynamo_AcklandTichyVitek_1987_Cu__MO_179025990738_005 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.615000084042549 cohesive_energy=3.5196298154797776 mass=63.546 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=[8.052011044194779e-20, 1.7625545150634e-19, 2.4334499587845597e-19, 2.9575219357659597e-19, 3.3910068458609996e-19, 3.76115771361402e-19, 4.08151293158232e-19, 4.3505504319635995e-19, 4.568526563019299e-19, 4.739735158128539e-19, 4.87837150226856e-19, 4.999592186396999e-19, 5.110142374142999e-19, 5.2097176519461e-19, 5.29796554094682e-19, 5.37496614997686e-19, 5.44102389259668e-19, 5.4965713564974595e-19, 5.542121238202079e-19, 5.57820225599976e-19, 5.6053751717124e-19, 5.62416870362922e-19, 5.635095548273099e-19, 5.6386203368679e-19, 5.63447069938584e-19, 5.6194743260916e-19, 5.589353405372399e-19, 5.539061080831139e-19, 5.46258919009032e-19, 5.352808047128639e-19, 5.201290202851259e-19, 4.9994319687336e-19, 4.75107856869726e-19, 4.46941591644006e-19, 4.17067406126442e-19, 3.8594031848109e-19, 3.5272078815173397e-19, 3.16292098024476e-19, 2.7521389130535e-19, 2.27206270644174e-19, 1.6861627331542796e-19, 9.45417194720622e-20, -9.95869736925282e-22, -1.195962372392274e-19, -2.60877614784318e-19, -4.33728440943408e-19, -6.5884387108021205e-19, -9.60115563160938e-19, -1.329628764613626e-18, -1.8066143724983998e-18, -2.4834859350643798e-18, -3.56223146273658e-18, -5.12646855404346e-18, -7.946411582247839e-18] 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: 0.016624316596539675 Energy: 0.01721514464604359 Energy: 0.5662049043441133 Energy: 0.9538577455532242 Energy: 0.9561442602699551 Energy: 0.3294545058153281 Energy: 0.017445411974026496 Energy: 0.01705315917613341 Energy: 0.9848649343458709 Energy: 0.26025439215470486 Energy: 0.5662723182101355 Energy: 0.5671473443245112 Energy: 0.017754277193146067 Energy: 0.09029021316720948 Energy: 0.016936903769102934 Energy: 0.77585687918611 Energy: 0.567775289892067 Energy: 0.566525194995579 Energy: 0.5678158954167817 Energy: 0.08930506132653995 Energy: 0.09006137386476185 Energy: 0.019040025309401215 Energy: 0.568596251007276 Energy: 0.5662841940549693 Energy: 0.9539677913456631 Energy: 0.9556574442475674 Energy: 0.08928535638223827 Energy: 0.01745369840287424 Energy: 0.3277009928763382 Energy: 1.024399658342939 Energy: 0.26115828752721565 Energy: 0.566415992555702 Energy: 0.5668936705426709 Energy: 0.017449989241648076 Energy: 0.0904249766393445 Energy: 0.0169036121819577 Energy: 0.7793994999297721 Energy: 0.5666811918873607 Energy: 0.5664069334728592 Energy: 0.7546982613268444 Energy: 0.0890084343705445 Energy: 0.08993440887747464 minimum gb energy = 0.016624316596539675 eV minimum distance = 2.5343224740387 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.229222459131127 Energy: 1.2034511624572126 Energy: 1.293132063671363 Energy: 1.2528923713142863 Energy: 1.28866930042484 Energy: 1.178015364771677 Energy: 1.2464628559454105 Energy: 1.0796565751881684 Energy: 1.2193287697337116 Energy: 1.066347296524808 Energy: 1.1834521283104036 Energy: 1.1841438172519658 Energy: 1.0833621991143372 Energy: 1.198736052030558 Energy: 1.3075622435002998 Energy: 1.1315218032300043 Energy: 1.2435580685021184 Energy: 1.1168649357450757 Energy: 1.1228279310033578 Energy: 1.2408282709962701 Energy: 1.1326494206441278 Energy: 1.0977812887011802 Energy: 1.2758632152639495 Energy: 1.092511440065719 Energy: 1.1907773105604498 Energy: 1.144587386872296 Energy: 1.071038966635499 Energy: 1.3433158162173056 Energy: 1.2496657746841346 Energy: 1.1802938912499419 Energy: 1.149575426726323 Energy: 1.1282850940829552 Energy: 1.189382287986947 Energy: 1.2524330590638224 Energy: 1.1721303890387302 Energy: 1.1847105751744411 Energy: 1.1610723782802566 Energy: 1.1356366632208366 Energy: 1.091647997174698 Energy: 1.1119837523631055 Energy: 1.1484015293827547 Energy: 1.1629048373599495 Energy: 1.1055066107871203 Energy: 1.2532257321024132 Energy: 1.2106198837322586 Energy: 1.1855013189149852 Energy: 1.1916245964827332 Energy: 1.2249661487445376 Energy: 1.1424768302744335 Energy: 1.126725923162724 Energy: 1.2011976439641172 Energy: 1.2223466604698854 Energy: 1.191532044966955 Energy: 1.1543731019814247 Energy: 1.2090594087672997 Energy: 1.2808562273324657 Energy: 1.195218973454224 Energy: 1.155478788477362 Energy: 1.1735704452328746 Energy: 1.141261347330631 Energy: 1.2285508136525658 Energy: 1.1297548912387787 Energy: 1.1138694776536358 Energy: 1.207993057624689 Energy: 1.1731110809448893 Energy: 1.2105245705283671 Energy: 1.2895500032382885 Energy: 1.1327597292357667 Energy: 1.1876729981840455 Energy: 1.1882073059869314 Energy: 1.1082092565670316 Energy: 1.2052357706136114 Energy: 1.2158104263097451 Energy: 1.2997830924995495 Energy: 1.2654260363121785 Energy: 1.1359717751409977 Energy: 1.2532323116988544 Energy: 1.287590173774193 Energy: 1.1648693038955547 Energy: 1.2695943956298714 Energy: 1.1797978058862784 Energy: 1.183383559743854 Energy: 1.1940021977585016 Energy: 1.1502647139391442 Energy: 1.1422153473082826 Energy: 1.2132264627286156 Energy: 1.1696920991460547 Energy: 1.161750803165847 Energy: 1.1975386465189137 Energy: 1.1297565232466462 Energy: 1.1959646703999631 Energy: 1.1828596597057428 Energy: 1.1941625696673188 Energy: 1.200369983077662 Energy: 1.2343055136899357 Energy: 1.1990118318495704 Energy: 1.1813208113892704 Energy: 1.2401414886656026 Energy: 1.2077228753188656 Energy: 1.1888248528976226 Energy: 1.1790736622795406 Energy: 1.1843115547305916 Energy: 1.2437508491791776 Energy: 1.1387893926475872 Energy: 1.1684068188750247 Energy: 1.2506092899974945 Energy: 1.1675375753857473 Energy: 1.2723840628762453 Energy: 1.1128213953325214 Energy: 1.209668162176641 Energy: 1.161162626667167 Energy: 1.1633153606927995 Energy: 1.1382815537502389 Energy: 1.2689981624066022 Energy: 1.1635538331969408 Energy: 1.1619523167447818 Energy: 1.1512966414953252 Energy: 1.2061281382247961 Energy: 1.3310560760894514 Energy: 1.3721380132245828 Energy: 1.1558089214682352 Energy: 1.1592350918716772 Energy: 1.184665651496589 Energy: 1.2046518401222117 Energy: 1.274345769744016 Energy: 1.1656975921192854 Energy: 1.2325970923030476 Energy: 1.1594986764708453 Energy: 1.1011429761720557 Energy: 1.1518438077442448 Energy: 1.1515383508325572 Energy: 1.1209092163648111 Energy: 1.1399040845468276 Energy: 1.229924456707536 Energy: 1.1400215378785425 Energy: 1.195922714860922 Energy: 1.1949320105064412 Energy: 1.1815223950449774 Energy: 1.1484274366336942 Energy: 1.1342602692000754 Energy: 1.0837879201439125 Energy: 1.2992544787641982 Energy: 1.1129049041282562 Energy: 1.1837530263178135 Energy: 1.11437601429674 Energy: 1.1298438357142675 Energy: 1.3450583502645754 Energy: 1.2645099314960484 Energy: 1.151456933046621 Energy: 1.1804691410526555 Energy: 1.1601583321597484 Energy: 1.1648541863465756 Energy: 1.2242119540033045 Energy: 1.1436544785918987 Energy: 1.1081610293791495 Energy: 1.285318627903332 Energy: 1.1229303767955083 Energy: 1.1746779822267988 Energy: 1.1846859954018982 Energy: 1.0961934389824204 Energy: 1.2609415389948482 Energy: 1.1954997579934912 Energy: 1.1257116865489774 Energy: 1.2466608237732513 Energy: 1.2180806171384444 Energy: 1.256970720325672 Energy: 1.145130446166217 Energy: 1.131516868135828 Energy: 1.0777104770369401 Energy: 1.2015036611038001 Energy: 1.107639953805346 Energy: 1.1725327582236251 Energy: 1.1908831032231901 Energy: 1.117438930441302 Energy: 1.197394807558958 Energy: 1.1563376612765743 Energy: 1.166634761073298 Energy: 1.2416030992131417 Energy: 1.1362543779079544 Energy: 1.158629215066939 Energy: 1.2388929938339381 Energy: 1.1251454319375405 Energy: 1.1020293127032152 Energy: 1.1547602213489303 Energy: 1.0913048401548249 Energy: 1.2130928089507027 Energy: 1.181069863711177 Energy: 1.1723301657857494 Energy: 1.1783652229237356 Energy: 1.1155532040318237 Energy: 1.168246613106868 Energy: 1.1494097873207698 Energy: 1.131754880243302 Energy: 1.1216828918596775 Energy: 1.2558793681087839 Energy: 1.1844690615220945 Energy: 1.184132708197758 Energy: 1.189961657969502 Energy: 1.1495762782996704 Energy: 1.090883777538518 Energy: 1.1213676826565204 Energy: 1.1513388505310327 Energy: 1.1621894337005656 Energy: 1.0623304992496383 Energy: 1.1736111635477775 Energy: 1.137329651162501 Energy: 1.2055106532434694 Energy: 1.229608740339867 Energy: 1.2224409942469132 Energy: 1.1339448023232732 Energy: 1.1733014440999714 Energy: 1.1509321592120372 Energy: 1.2321402168226305 Energy: 1.1640530340469262 Energy: 1.1352657606816023 Energy: 1.1551136987409785 Energy: 1.2115470387018992 Energy: 1.10812174908467 Energy: 1.1823793355485646 Energy: 1.1771618848223802 Energy: 1.168059579864867 Energy: 1.2188039213169783 Energy: 1.125705564376317 Energy: 1.1998550108448287 Energy: 1.2114688929587019 Energy: 1.1959465536667675 Energy: 1.2209519776360023 Energy: 1.2575951838452393 Energy: 1.132386312115126 Energy: 1.186724696521314 Energy: 1.1617803175585708 Energy: 1.109124131116465 Energy: 1.227611665020051 Energy: 1.1720589571562496 Energy: 1.1974302678784488 Energy: 1.256313179428322 Energy: 1.1358759807922447 Energy: 1.281505548775966 Energy: 1.2683516565720399 Energy: 1.155625989557575 Energy: 1.1786691666489062 Energy: 1.169806018631512 Energy: 1.1064570840024766 Energy: 1.1905036518562695 Energy: 1.1662434708358533 Energy: 1.1404399171439783 Energy: 1.2042320816398926 Energy: 1.194054097459576 Energy: 1.1916920242603102 Energy: 1.166853289197317 Energy: 1.1435754745906423 Energy: 1.2100664415370601 Energy: 1.2059888285772327 Energy: 1.1506290726840385 Energy: 1.1688922275033453 Energy: 1.1952612428741247 Energy: 1.1989183627970295 Energy: 1.1402146462724279 Energy: 1.1510513043592656 Energy: 1.1490236583507658 Energy: 1.13730182446932 Energy: 1.121798538848352 Energy: 1.1567722198022226 Energy: 1.2111522591302382 Energy: 1.1452942247709552 Energy: 1.1427051594951185 Energy: 1.3175342237864536 Energy: 1.1480294480969706 Energy: 1.2678507997381177 Energy: 1.1732078931184327 Energy: 1.210446214162332 Energy: 1.223425766204941 Energy: 1.1617517359773033 Energy: 1.136807593570958 Energy: 1.2805639663672013 Energy: 1.1469799744503677 Energy: 1.1615955070647246 Energy: 1.1478234877878246 Energy: 1.1767312733280149 Energy: 1.322495486992669 Energy: 1.2456439117144553 Energy: 1.1966126451064854 Energy: 1.2040846382299117 Energy: 1.1206360499172219 Energy: 1.1992413955414598 Energy: 1.2759942343059898 Energy: 1.1678780206301398 Energy: 1.171270563214482 Energy: 1.2387029330259338 Energy: 1.1031466880603829 Energy: 1.1056763568671009 Energy: 1.1936137052368965 Energy: 1.1068823800706025 Energy: 1.133639447935284 Energy: 1.2311761459325268 Energy: 1.1555246341422414 Energy: 1.2473523778549152 Energy: 1.1974250490671183 Energy: 1.1819573806961714 Energy: 1.1497876719600804 Energy: 1.1893536478735895 Energy: 1.0693473804413314 Energy: 1.272574101305295 Energy: 1.1417127074720026 Energy: 1.1510348386265186 Energy: 1.1128502417582653 Energy: 1.0745421929232515 Energy: 1.3077144580008089 Energy: 1.2592353823757176 Energy: 1.1656833878376607 Energy: 1.2374279086459912 Energy: 1.248516597008439 Energy: 1.1662133300102442 Energy: 1.2597040430443065 Energy: 1.1586147903152362 Energy: 1.1156753840545874 Energy: 1.2782491410762193 Energy: 1.1223710366405304 Energy: 1.250685090615413 Energy: 1.1336140045163816 Energy: 1.1425375682047356 Energy: 1.2411952941319329 Energy: 1.1946672630408273 Energy: 1.1779944216527758 Energy: 1.2459126047701226 Energy: 1.134848999492189 Energy: 1.2444357558948183 Energy: 1.1580120536901946 Energy: 1.2009733013441997 minimum gb energy = 1.0623304992496383 eV minimum distance = 2.24968075622872 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 1.123804217787531 Energy: 1.1014671922329191 Energy: 1.2434377952090294 Energy: 1.1120464275727882 Energy: 1.0798117265749512 Energy: 1.1395560333470773 Energy: 1.1078182092172717 Energy: 1.1037113075991085 Energy: 1.1026172742564584 Energy: 1.0763487331913997 Energy: 1.3132128032815742 Energy: 1.130325896777309 Energy: 1.10616211077687 Energy: 1.1167546329378482 Energy: 1.082352763657444 Energy: 1.16539735592678 Energy: 1.3402569721224673 Energy: 1.0740413868308876 Energy: 1.1371311312132921 Energy: 1.2690734077379997 Energy: 1.140517736049243 Energy: 1.1144306110899223 Energy: 1.1483418214953334 Energy: 1.0914124488028214 Energy: 1.1012838987177698 Energy: 1.1451426789998767 Energy: 1.0974630821082836 Energy: 1.3136488239391513 Energy: 1.2420590383770258 Energy: 1.120725747058491 Energy: 1.1017269563377412 Energy: 1.101019932040543 Energy: 1.097073096452541 Energy: 1.2139565587461292 Energy: 1.1521482521513866 Energy: 1.3327352132432067 Energy: 1.1287030773068476 Energy: 1.1173166899342146 Energy: 1.119196299215602 Energy: 1.1270875329814922 Energy: 1.1097140007609125 Energy: 1.1422026563233632 Energy: 1.1345905570069172 Energy: 1.1563763593944973 Energy: 1.0840052633219417 Energy: 1.089178501900162 Energy: 1.103756059218254 Energy: 1.1958324525071107 Energy: 1.1518421167669781 Energy: 1.1024096906258092 Energy: 1.2354724104298165 Energy: 1.1025597142541603 Energy: 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1.1492341899819096 Energy: 1.1549903673909514 Energy: 1.2476077080661832 Energy: 1.2228602120542325 Energy: 1.190898756308574 Energy: 1.2004653949865411 Energy: 1.102169208168842 Energy: 1.0940009585617918 Energy: 1.2337876927838212 Energy: 1.2077356290461265 Energy: 1.2407897107166674 Energy: 1.157196459736478 Energy: 1.087684105479388 Energy: 1.086803030977034 Energy: 1.1033386479032008 Energy: 1.1180927940215606 Energy: 1.252454439427298 Energy: 1.1118878586985113 Energy: 1.0827628952180848 Energy: 1.121454601173876 Energy: 1.0984776485287235 Energy: 1.1040415648730246 Energy: 1.1095851415105793 Energy: 1.2629476980353898 Energy: 1.117298771581961 Energy: 1.20993687188663 Energy: 1.0980087695664642 Energy: 1.1017805421111275 Energy: 1.0873436172252855 Energy: 1.247813787377572 Energy: 1.1870461003215371 Energy: 1.0753476712451981 Energy: 1.2038795227717174 Energy: 1.1926803390977345 Energy: 1.2157619082409088 Energy: 1.189580504860312 Energy: 1.1924132152019211 Energy: 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1.1377049865895514 Energy: 1.1027917842025123 Energy: 1.1294481617129102 Energy: 1.1451766485034862 Energy: 1.1496334933210075 Energy: 1.1728341939646683 Energy: 1.0918120849461526 Energy: 1.400007758366166 Energy: 1.2564566155842043 Energy: 1.1241507966915296 Energy: 1.1031524869897802 Energy: 1.0986998024987047 Energy: 1.1103984072734194 Energy: 1.0968007476608765 Energy: 1.1438561880500266 Energy: 1.137272091923923 Energy: 1.1264384984045013 Energy: 1.09360806164033 Energy: 1.1401405097796025 Energy: 1.0825975731790007 Energy: 1.0750401655190402 Energy: 1.2359333616301122 Energy: 1.2286796778515323 Energy: 1.1579291579609132 Energy: 1.2181240938601303 Energy: 1.1167792063209814 Energy: 1.0738856107935268 Energy: 1.329477900201773 Energy: 1.1595667135673688 Energy: 1.102921952479 Energy: 1.1865511230025623 Energy: 1.2179492958706695 Energy: 1.1349365843245844 Energy: 1.3810855151873913 Energy: 1.106115709576245 Energy: 1.103366633647994 Energy: 1.0830717278749549 Energy: 1.1516894167968592 Energy: 1.1715547369957084 Energy: 1.1988269229162816 Energy: 1.325897044840119 Energy: 1.0799895418070005 Energy: 1.0993369454901645 Energy: 1.1518442111819578 Energy: 1.1031065845931944 Energy: 1.1098597449442857 Energy: 1.1007990663146872 Energy: 1.090953063067884 Energy: 1.0997591484898817 Energy: 1.1097813573728759 minimum gb energy = 1.0732757727315834 eV minimum distance = 2.26609508998185 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 1.2702732624339943 Energy: 1.1449030028036546 Energy: 1.2125784563198299 Energy: 1.1212674736415909 Energy: 1.1986693428746726 Energy: 1.1396692183188435 Energy: 1.3173925525373125 Energy: 1.165225295726601 Energy: 1.1822900157516658 Energy: 1.1362388882526762 Energy: 1.1350420962188252 Energy: 1.1767881864851042 Energy: 1.2232974600656665 Energy: 1.197898548063266 Energy: 1.1922218285863408 Energy: 1.1373259657890449 Energy: 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1.1402540253492928 Energy: 1.1360551100459915 Energy: 1.163933732173642 Energy: 1.2112528811956178 Energy: 1.136027604776004 Energy: 1.180796526073456 Energy: 1.2159995806931843 Energy: 1.223975829936583 Energy: 1.1893825321934293 Energy: 1.2328062573437482 Energy: 1.2624949254906581 Energy: 1.2095269717875403 Energy: 1.2515561451815194 Energy: 1.1616918983613496 Energy: 1.1564541776303283 Energy: 1.1647694381133082 Energy: 1.1597585146032185 Energy: 1.1639300672071466 Energy: 1.1330287815749396 Energy: 1.1830663963033008 Energy: 1.1517866902832916 Energy: 1.2209729667211944 Energy: 1.208122747938814 Energy: 1.181669358420426 Energy: 1.1635080345514095 Energy: 1.119762110853471 Energy: 1.1440855370776457 Energy: 1.2595188632102634 Energy: 1.189937918205705 Energy: 1.195399709396834 Energy: 1.2517548743161266 Energy: 1.1610630506135522 Energy: 1.246327449135901 Energy: 1.1750661407292786 Energy: 1.1893156508105949 Energy: 1.193104424396758 Energy: 1.1673975237290921 Energy: 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1.1161111406970536 Energy: 1.1221494315885554 Energy: 1.1887997682479374 Energy: 1.1239794741417928 Energy: 1.1704925637572496 Energy: 1.1799912804578374 Energy: 1.1964455826833675 Energy: 1.1610222693607748 Energy: 1.1214643620659113 Energy: 1.2184816511376124 Energy: 1.1724135815352257 Energy: 1.1270353158213975 Energy: 1.074866653753137 Energy: 1.1124087259498114 Energy: 1.0496528423519071 Energy: 1.1246741062474344 Energy: 1.1719090550586344 Energy: 1.0842868174543874 Energy: 1.1343773228016731 Energy: 1.064314002010156 Energy: 1.1630480840237074 Energy: 1.1419115004701674 Energy: 1.156946161336606 Energy: 1.143684766244188 Energy: 1.3398393921853797 Energy: 1.0502954315845554 Energy: 1.0510118728655231 Energy: 1.263263779055025 Energy: 1.050421311130372 Energy: 1.135093670042382 Energy: 1.2910097252969277 Energy: 1.1045958646487577 Energy: 1.1837679527633445 Energy: 1.2175328057029666 Energy: 1.1119282074760837 Energy: 1.050330956053479 Energy: 1.1356135411493793 Energy: 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Energy: 1.0515777354505627 Energy: 1.1844808706192027 Energy: 1.049916854093838 Energy: 1.1335024697360019 Energy: 1.1227407302022758 Energy: 1.0837706104024256 Energy: 1.0508586703982414 Energy: 1.050065923858887 Energy: 1.2013948282068445 minimum gb energy = 1.0496084886418122 eV minimum distance = 2.24624567218095 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 1.3451224337282126 Energy: 1.1844429681705642 Energy: 1.3368861400769265 Energy: 1.099604919810014 Energy: 1.3158603900840395 Energy: 1.2651806584714491 Energy: 1.320341897021552 Energy: 1.1567302203706178 Energy: 1.187804001208476 Energy: 1.3125831803018657 Energy: 1.333449239214116 Energy: 1.2159305207035387 Energy: 1.349091731558166 Energy: 1.1677279597840882 Energy: 1.2530958692316123 Energy: 1.196731985196731 Energy: 1.1683044847802178 Energy: 1.3335053347927828 Energy: 1.3385260723322634 Energy: 1.2462489498777507 Energy: 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1.2121989761870113 Energy: 1.1845242702180314 Energy: 1.2678016048518095 Energy: 1.284490831483379 Energy: 1.2472271296159885 Energy: 1.1967853515479272 Energy: 1.1754531304583236 Energy: 1.3335976405539232 Energy: 1.3364995572744605 Energy: 1.2533038767204665 Energy: 1.2320843306562983 Energy: 1.3661092396497383 Energy: 1.2683325262733058 Energy: 1.1936432508347794 Energy: 1.2124975068802275 Energy: 1.1730787900303616 Energy: 1.2319910675915573 Energy: 1.1278304884369572 Energy: 1.1134606784157426 Energy: 1.2236667302885929 Energy: 1.146478664034314 Energy: 1.1241964885394051 Energy: 1.0744467877950443 Energy: 1.1167813337260617 Energy: 1.0789926531654745 Energy: 1.0898098846597715 Energy: 1.090532469957006 Energy: 1.1347334599127754 Energy: 1.237985125224279 Energy: 1.1316340731919776 Energy: 1.1170120094396552 Energy: 1.0972081100201723 Energy: 1.0895720136083058 Energy: 1.1347538523439797 Energy: 1.257180632470051 Energy: 1.1881203072518802 Energy: 1.094695673948857 Energy: 1.0943835222691842 Energy: 1.0609227044926854 Energy: 1.1178921761200695 Energy: 1.1187722957013728 Energy: 1.1780649801181553 Energy: 1.2239781415839757 Energy: 1.2173920248185577 Energy: 1.1277176068442696 Energy: 1.0816543365060076 Energy: 1.1825237153515409 Energy: 1.1065702381048574 Energy: 1.147179815547142 Energy: 1.2282164198924665 Energy: 1.2611503250810985 Energy: 1.0571420894188412 Energy: 1.1274324209848607 Energy: 1.1135305442720318 Energy: 1.1310382780241373 Energy: 1.267770442550054 Energy: 1.1737317292005744 Energy: 1.1054315877889989 Energy: 1.1346078295032387 Energy: 1.0928157201912951 Energy: 1.2477447313931882 Energy: 1.278163852214232 Energy: 1.2450667874889751 Energy: 1.172780094124162 Energy: 1.2954408510424336 Energy: 1.247601675524829 Energy: 1.2624702788046687 Energy: 1.2527889392099443 Energy: 1.215941479281775 Energy: 1.1720343734785836 Energy: 1.2598236058889976 Energy: 1.3165514281620445 Energy: 1.3185538185037284 Energy: 1.2967311657283003 Energy: 1.0895619926030875 Energy: 1.2785173073645835 Energy: 1.280545955294872 Energy: 1.213019282953952 Energy: 1.2953745875815865 Energy: 1.1828925656954885 Energy: 1.235521633728315 minimum gb energy = 1.0449487404027262 eV minimum distance = 2.2329769818057 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 1.3146586181285385 Energy: 1.2126630281951722 Energy: 1.393596086724664 Energy: 1.249351439736848 Energy: 1.3825128243004958 Energy: 1.3187704811392764 Energy: 1.3149256323399237 Energy: 1.4171785436908344 Energy: 1.2814542294444604 Energy: 1.4345230620817682 Energy: 1.2511989129970367 Energy: 1.3649990003676138 Energy: 1.4041491445753411 Energy: 1.3378164843550833 Energy: 1.2727182456488335 Energy: 1.2116239150245072 Energy: 1.3018757335311837 Energy: 1.3370293868215068 Energy: 1.3331135165103971 Energy: 1.2918942899291035 Energy: 1.2752880830562736 Energy: 1.3085146809344563 Energy: 1.232985816615866 Energy: 1.3204375341863972 Energy: 1.374204322807458 Energy: 1.3671103489978744 Energy: 1.302423987887132 Energy: 1.238653515223419 Energy: 1.286655857589429 Energy: 1.2854517367901395 Energy: 1.2019841330177499 Energy: 1.2395608823148176 Energy: 1.2209545441994352 Energy: 1.2260549181880065 Energy: 1.2494850958429182 Energy: 1.1921449683990595 Energy: 1.1805396067931826 Energy: 1.2456904572068548 Energy: 1.1921267887680989 Energy: 1.1128826404495127 Energy: 1.247614907869512 Energy: 1.18836375773235 Energy: 1.1701752279710724 Energy: 1.2639326680370895 Energy: 1.2088671688941945 Energy: 1.1775794248482316 Energy: 1.3059831640802524 Energy: 1.2510031975699798 Energy: 1.1521465953295462 Energy: 1.3138216444838837 Energy: 1.0946312136844645 Energy: 1.0817242173689474 Energy: 1.1466165553456653 Energy: 1.2320433884372075 Energy: 1.1942460380471245 Energy: 1.1070011578632089 Energy: 1.079963825521631 Energy: 1.11002517271143 Energy: 1.3026291769499911 Energy: 1.0642034511676617 Energy: 1.1627391476467863 Energy: 1.3370124181594565 Energy: 1.1788658968986008 Energy: 1.2724666110682081 Energy: 1.1906626805675617 Energy: 1.2318181206948509 Energy: 1.0669571344654614 Energy: 1.0613170378679702 Energy: 1.1529962332452857 Energy: 1.1178641879022273 Energy: 1.2736999065978856 Energy: 1.0623912500979473 Energy: 1.2362227879387708 Energy: 1.1322051211482111 Energy: 1.0539745191598056 Energy: 1.1934367329926212 Energy: 1.1109594941026804 Energy: 1.1204136173183672 Energy: 1.073012325889619 Energy: 1.337136068277051 Energy: 1.2079871780251135 Energy: 1.29176554768597 Energy: 1.2755949024506517 Energy: 1.111565355195457 Energy: 1.1714578674327258 Energy: 1.0634400660160752 Energy: 1.0747268132328853 Energy: 1.2890957646445376 Energy: 1.1062579802096164 Energy: 1.1868849177175742 Energy: 1.0748233665206053 Energy: 1.216113460779877 Energy: 1.2459269397616057 Energy: 1.1718993888000433 Energy: 1.1383695995150471 Energy: 1.1578486252505051 Energy: 1.2025214601655905 Energy: 1.1028442804133256 Energy: 1.131034784485183 Energy: 1.1690781277518199 Energy: 1.245849995440348 Energy: 1.0920690630907146 Energy: 1.1083429023605995 Energy: 1.1801769914839662 Energy: 1.205963149506514 Energy: 1.269261879223847 Energy: 1.2032778537330098 Energy: 1.2121994754230812 Energy: 1.2057869194836512 Energy: 1.1953309819225528 Energy: 1.2756604374766398 Energy: 1.1764768718292995 Energy: 1.2259352190599977 Energy: 1.1897347148149122 Energy: 1.2473338134144076 Energy: 1.1940924591859776 Energy: 1.3121276300561981 Energy: 1.2945739023364822 Energy: 1.2260194089604979 Energy: 1.250071273863718 Energy: 1.244409198741499 Energy: 1.2477105998618725 Energy: 1.3034485758665468 Energy: 1.2559238883621398 Energy: 1.3106218933870282 Energy: 1.2440917352278698 Energy: 1.329485735677879 Energy: 1.3111840445167084 Energy: 1.245203990795048 Energy: 1.1871949996533768 Energy: 1.3660639151010228 Energy: 1.403847133877846 Energy: 1.3396921798571795 Energy: 1.318176480037743 Energy: 1.352111638000649 Energy: 1.3343761002227315 Energy: 1.4098430617022495 Energy: 1.2993896544799703 Energy: 1.3220522878473935 Energy: 1.3867334779540346 Energy: 1.3583560748618364 Energy: 1.1982695966467074 Energy: 1.2827943684428111 Energy: 1.2543057133021214 Energy: 1.2996890765766231 Energy: 1.2962403645525247 Energy: 1.3527327916978351 Energy: 1.3490877283788072 Energy: 1.2800782574437253 Energy: 1.297914465901962 Energy: 1.3748881482949487 Energy: 1.3044067504793793 Energy: 1.2882496229563554 Energy: 1.4968681397610437 Energy: 1.3067424288030753 Energy: 1.1284276598729945 Energy: 1.3867720727987567 Energy: 1.364546090702952 Energy: 1.3491985399309674 Energy: 1.3171553180842785 Energy: 1.1213858044450475 Energy: 1.3899430612578636 Energy: 1.2931181885930347 Energy: 1.4190718503454487 Energy: 1.192586534566711 Energy: 1.3639937140788925 Energy: 1.4023655771184933 Energy: 1.4964626051364893 Energy: 1.3152681614379234 Energy: 1.2120810039477936 Energy: 1.3026346791692973 Energy: 1.3374196079755667 Energy: 1.300760376379533 Energy: 1.293607517317121 Energy: 1.3334952694894457 Energy: 1.3070938306648658 Energy: 1.149347383540613 Energy: 1.3028776386474443 Energy: 1.3717364807673518 Energy: 1.3590403046466841 Energy: 1.3015504181685589 Energy: 1.2209476660772116 Energy: 1.2850489270162768 Energy: 1.2873255853945444 Energy: 1.2765760812215015 Energy: 1.2626891132794054 Energy: 1.18943686821043 Energy: 1.2053788422211342 Energy: 1.2290434605805145 Energy: 1.1862459779897419 Energy: 1.178698803262124 Energy: 1.2691984809844203 Energy: 1.190548738935614 Energy: 1.1159307542731718 Energy: 1.225791228481524 Energy: 1.1890293475013711 Energy: 1.1697607101532175 Energy: 1.220715276928005 Energy: 1.2094028308307627 Energy: 1.2198109753907809 Energy: 1.2744708280378247 Energy: 1.251928759170258 Energy: 1.1182879507505428 Energy: 1.2932255268004889 Energy: 1.0938962531496959 Energy: 1.0619224647480268 Energy: 1.146000815652545 Energy: 1.1596952073506206 Energy: 1.144142144338727 Energy: 1.1083232407172137 Energy: 1.0864916742426611 Energy: 1.1129450732975157 Energy: 1.2935340429812743 Energy: 1.1140554750720433 Energy: 1.2207632715855794 Energy: 1.3380688361181514 Energy: 1.1912991433422102 Energy: 1.2139337620923947 Energy: 1.175804332795733 Energy: 1.2298653357074742 Energy: 1.0609250750399752 Energy: 1.0615949045833657 Energy: 1.2038850210244973 Energy: 1.1120629427292137 Energy: 1.2729674357652554 Energy: 1.112282159931748 Energy: 1.2055747459038741 Energy: 1.1324776238712235 Energy: 1.0618320271671648 Energy: 1.0893589272025832 Energy: 1.1066492810301731 Energy: 1.1293346786091831 Energy: 1.1973514282831124 Energy: 1.3503285675646604 Energy: 1.209170515380826 Energy: 1.284508308988074 Energy: 1.2755221017709584 Energy: 1.1080435822841443 Energy: 1.2279701488676888 Energy: 1.0622982958762992 Energy: 1.0620485654216794 Energy: 1.186252647322128 Energy: 1.1534127698538525 Energy: 1.1085766252437674 Energy: 1.0752082797018314 Energy: 1.2237899971576294 Energy: 1.137406456534547 Energy: 1.1780558286328553 Energy: 1.108720866399678 Energy: 1.1429903937154948 Energy: 1.204707601740322 Energy: 1.0982995809503218 Energy: 1.129192127359525 Energy: 1.1580234922675068 Energy: 1.265684998261261 Energy: 1.07635672098315 Energy: 1.091277714633961 Energy: 1.1839316311130113 Energy: 1.1414487021048414 Energy: 1.2693239188252656 Energy: 1.203675875256892 Energy: 1.160959931588944 Energy: 1.2323044291750875 Energy: 1.2112691098213915 Energy: 1.1958682609812308 Energy: 1.1836096414152706 Energy: 1.2116892473244782 Energy: 1.1513975137541232 Energy: 1.2467187373244433 Energy: 1.3481539637506645 Energy: 1.3099478157786244 Energy: 1.2524896993067811 Energy: 1.208956349687462 Energy: 1.241997303650511 Energy: 1.234092130788312 Energy: 1.2459663771838587 Energy: 1.3029724661747502 Energy: 1.2426707319542698 Energy: 1.3000668254700376 Energy: 1.2781142951834175 Energy: 1.3505600669303028 Energy: 1.3069075701730932 Energy: 1.3406911686988274 Energy: 1.1762937519695198 Energy: 1.331637308397133 Energy: 1.4248500131155541 Energy: 1.3770641455537973 Energy: 1.318906852770317 Energy: 1.3549281946414424 Energy: 1.3313694511308072 Energy: 1.3668044604634122 Energy: 1.3105521777624511 Energy: 1.3373405790332231 Energy: 1.240886010888841 Energy: 1.3625314823454309 Energy: 1.210859852321778 Energy: 1.2827262887235682 Energy: 1.2313306815578937 Energy: 1.2997508737361534 Energy: 1.296447700992677 Energy: 1.5170918088433378 Energy: 1.3628867228321306 Energy: 1.298651054369247 Energy: 1.2973867748484638 Energy: 1.3910958849826411 Energy: 1.2993758998947125 Energy: 1.2931296887412764 Energy: 1.3154095779383446 Energy: 1.306485551755053 Energy: 1.1334644457809384 Energy: 1.3869763024911141 Energy: 1.3123338252938939 Energy: 1.3055996425867136 Energy: 1.3215279632544323 Energy: 1.213121614825196 minimum gb energy = 1.0539745191598056 eV minimum distance = 2.20644805322518 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 1.1539679468432829 Energy: 1.0784887042018088 Energy: 1.0415674087955618 Energy: 1.037760687538255 Energy: 1.038461445597923 Energy: 1.042700156092369 Energy: 1.0782918875993897 Energy: 1.1281009129273738 Energy: 1.2662380312089432 Energy: 1.0425528073701438 Energy: 1.033568984941543 Energy: 1.0354060832137015 Energy: 1.0401762605849378 Energy: 1.2668513660991714 Energy: 1.1364503023329515 Energy: 1.2689328764736278 Energy: 1.039590102411025 Energy: 1.0781863927845652 Energy: 1.036869839888001 Energy: 1.039263505028799 Energy: 1.0780349683913735 Energy: 1.134887603105251 Energy: 1.2686227260749443 Energy: 1.0384177762850102 Energy: 1.0781118000976382 Energy: 1.0406040597247508 Energy: 1.0376139786877743 Energy: 1.0778536174377937 Energy: 1.0299433918629435 Energy: 1.2130296852326552 Energy: 1.030139513941456 Energy: 1.2221480998775374 Energy: 1.0350937234284507 Energy: 1.0293050229254233 Energy: 1.2197403467443662 Energy: 1.1550843004194753 Energy: 1.3032861467582513 Energy: 1.0419426689640425 Energy: 1.0368353943976087 Energy: 1.0385372972027025 Energy: 1.042057881966159 Energy: 1.0783730445936077 Energy: 1.1058599311494204 Energy: 1.2677943435692987 Energy: 1.0416721296750533 Energy: 1.0335204159135725 Energy: 1.0350889388744993 Energy: 1.0396137045910954 Energy: 1.2655072560540912 Energy: 1.1056989337703167 Energy: 1.2678228470725896 Energy: 1.0414580620925253 Energy: 1.0335382808256717 Energy: 1.0353810362738674 Energy: 1.040017068505191 Energy: 1.2644381091151453 Energy: 1.1558643027783464 Energy: 1.265486851781319 Energy: 1.0419239737674186 Energy: 1.0376916105934793 Energy: 1.0377476680502644 Energy: 1.0412238041537125 Energy: 1.0779332784624378 Energy: 1.0294006436537468 Energy: 1.2133102295204556 Energy: 1.0283652582859142 Energy: 1.2212355493562086 Energy: 1.2166084433766553 Energy: 1.0287935008321412 Energy: 1.2210248688692467 Energy: 1.1566962369898093 Energy: 1.2658405170299525 Energy: 1.0381928528030762 Energy: 1.0771559231618788 Energy: 1.0393145454695722 Energy: 1.0378427913052135 Energy: 1.0784180815861384 Energy: 1.1383132846405835 Energy: 1.2685097424809 Energy: 1.0409497188487644 Energy: 1.0342191531074119 Energy: 1.0352661438462265 Energy: 1.038590545224666 Energy: 1.2656650715826947 Energy: 1.1131579137507859 Energy: 1.2654555744281957 Energy: 1.0422292270135414 Energy: 1.0334944203609608 Energy: 1.0342903826496024 Energy: 1.0409107463125815 Energy: 1.263949362836681 Energy: 1.1547883351668549 Energy: 1.3038434425184038 Energy: 1.04212068524984 Energy: 1.0387554749827446 Energy: 1.0379821353318048 Energy: 1.0436214601574332 Energy: 1.0786253604125358 Energy: 1.029429105497848 Energy: 1.2690501105012695 Energy: 1.0288688217582613 Energy: 1.0338223855723818 Energy: 1.0358795174784396 Energy: 1.0405310828245922 Energy: 1.2131610729103914 Energy: 1.1356857624492356 Energy: 1.2680543754214963 Energy: 1.040388649488468 Energy: 1.077931131356978 Energy: 1.0409322430687538 Energy: 1.038639561278445 Energy: 1.0784683710844951 Energy: 1.135925637347581 Energy: 1.2678413109839628 Energy: 1.0394069396135395 Energy: 1.0777541253444154 Energy: 1.0396971443358163 Energy: 1.0379214124021034 Energy: 1.0778312544928463 Energy: 1.029953880073622 Energy: 1.2672177977959052 Energy: 1.0425657629718206 Energy: 1.0340657380273353 Energy: 1.0347810892553844 Energy: 1.0414364108076515 Energy: 1.2163880791090702 Energy: 1.1545272445053802 Energy: 1.3032873732770855 Energy: 1.0410317071591089 Energy: 1.037806461265114 Energy: 1.0378779058320056 Energy: 1.041932011453745 Energy: 1.0783201374132965 Energy: 1.1131449311185204 Energy: 1.2656218490933169 Energy: 1.042280532423741 Energy: 1.0335540926152407 Energy: 1.0345585499464995 Energy: 1.0395930807004456 Energy: 1.2644534789951924 minimum gb energy = 1.0283652582859142 eV minimum distance = 2.29803165555953 Angstroms sigma value = 23