Model name: model_name=EAM_Dynamo_StollerTammBeland_2016_Ni__MO_103383163946_000 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Ni Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.5200000256299973 cohesive_energy=4.423116541956746 mass=58.6934 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=[2.0875880888029797e-19, 2.9355881376464996e-19, 3.5740234827628197e-19, 4.0902127507049393e-19, 4.52201537533428e-19, 4.89054804468696e-19, 5.20906075952616e-19, 5.486605817833979e-19, 5.72968805674446e-19, 5.94316207145862e-19, 6.13079297706636e-19, 6.295592865639599e-19, 6.43996500212934e-19, 6.56592812909442e-19, 6.67513248846786e-19, 6.76902003922026e-19, 6.848792413827119e-19, 6.915523070633219e-19, 6.970093206787259e-19, 7.01331993237258e-19, 7.04594024864082e-19, 7.0685629827129e-19, 7.081764918177059e-19, 7.086058751556179e-19, 7.081444482850259e-19, 7.06654424015406e-19, 7.039547563871159e-19, 6.998323559078339e-19, 6.94027669962852e-19, 6.86234682815076e-19, 6.7608489383868595e-19, 6.631248870462599e-19, 6.4371451712535e-19, 6.147455614059959e-19, 5.76067415284602e-19, 5.28183162224244e-19, 4.726661396795099e-19, 4.1164724257362e-19, 3.44735539807878e-19, 2.7046343758553995e-19, 1.8648534931443e-19, 8.89978678830954e-20, -2.83203946179108e-20, -2.0546633589742796e-19, -5.0764165559973e-19, -9.53452110540132e-19, -1.5614637235534257e-18, -2.35396597597182e-18, -3.4172825426586e-18, -4.9578554850813e-18, -7.337248004234699e-18, -1.113403812618888e-17, -1.78471261791162e-17, -3.41795545684488e-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: -0.0272313164 eV ======================================== theta = 0.0 ======================================== Energy: 0.022036967831022172 Energy: 0.02363764465343039 Energy: 1.3686609993456 Energy: 1.3685235423881572 Energy: 1.233581561212992 Energy: 0.45300780078656827 Energy: 0.02311193734618563 Energy: 0.022951706838399342 Energy: 0.9762991548634488 Energy: 0.3796750540279629 Energy: 0.5626294391080743 Energy: 0.5620403157457522 Energy: 0.023501216931546817 Energy: 0.1391907867395034 Energy: 0.022529051367490678 Energy: 0.9797742910842018 Energy: 0.3543804952254397 Energy: 0.5631073791113413 Energy: 0.5710432863206818 Energy: 0.1366197761287601 Energy: 0.13895749365170096 Energy: 0.025559682531804438 Energy: 0.9592663337840228 Energy: 0.5625022639775945 Energy: 1.3703065128519518 Energy: 1.2377213744547675 Energy: 0.1372131506436468 Energy: 0.022982380623228996 Energy: 0.13721277001305884 Energy: 1.2362287478033736 Energy: 0.37954465727611214 Energy: 0.5621478770354423 Energy: 0.5630849725507536 Energy: 0.023207743908905988 Energy: 0.13923124908304807 Energy: 0.022454364407074823 Energy: 0.9814269913756736 Energy: 0.35380517897465436 Energy: 0.560396277504302 Energy: 1.0920264367900439 Energy: 0.1365363235922152 Energy: 0.13885467911098928 minimum gb energy = 0.022036967831022172 eV minimum distance = 2.46581629254438 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.574788523664826 Energy: 1.4724220984962513 Energy: 1.5929067628586202 Energy: 1.5531411585079447 Energy: 1.672813848665818 Energy: 1.5076196510609439 Energy: 1.528770000988085 Energy: 1.438379810109399 Energy: 1.5260875759572479 Energy: 1.412890058802774 Energy: 1.6813759135675435 Energy: 1.5010494297872221 Energy: 1.4680371753097567 Energy: 1.5799112690754076 Energy: 1.5718523091711527 Energy: 1.571307470973702 Energy: 1.6171774833882355 Energy: 1.6154462301279233 Energy: 1.6784169281849572 Energy: 1.5829528307034937 Energy: 1.6384660764412775 Energy: 1.4310287457323243 Energy: 1.6415389225122512 Energy: 1.4342589637373415 Energy: 1.6322484965100368 Energy: 1.5864942429877433 Energy: 1.5452773964341575 Energy: 1.6644495740771321 Energy: 1.6512743861341046 Energy: 1.5188533482912894 Energy: 1.5163198031339893 Energy: 1.4594622771644514 Energy: 1.5239190518562895 Energy: 1.6598402177071243 Energy: 1.6134191872542367 Energy: 1.4888041000025523 Energy: 1.5331459182552145 Energy: 1.5463175924818695 Energy: 1.487764837823926 Energy: 1.4744358550336263 Energy: 1.4769780467440692 Energy: 1.5921744055754055 Energy: 1.4357801110796913 Energy: 1.6969257100620023 Energy: 1.538585221495387 Energy: 1.6128275185175873 Energy: 1.6502412415676069 Energy: 1.5653920212766648 Energy: 1.5983460233737543 Energy: 1.4488254293792842 Energy: 1.7247831800218878 Energy: 1.5360431219838149 Energy: 1.6361190779835468 Energy: 1.633553434469793 Energy: 1.5618335221034672 Energy: 1.7139639925042949 Energy: 1.5262321693684482 Energy: 1.54654891332641 Energy: 1.495665679369977 Energy: 1.600409652370477 Energy: 1.5621806520541435 Energy: 1.5028355244290286 Energy: 1.6168625303675428 Energy: 1.5560897235284414 Energy: 1.6577410622962916 Energy: 1.5343647652902 Energy: 1.4943174495569997 Energy: 1.524157587316014 Energy: 1.5225695140918951 Energy: 1.497998405628143 Energy: 1.4448049012602382 Energy: 1.6748503631100464 Energy: 1.5633894629037328 Energy: 1.551621230816308 Energy: 1.590106860926841 Energy: 1.5323417858240465 Energy: 1.6449776471614146 Energy: 1.582308953039936 Energy: 1.549989800254017 Energy: 1.5830573344810936 Energy: 1.7181858186507097 Energy: 1.6755411645077123 Energy: 1.4926154836375065 Energy: 1.556648954149093 Energy: 1.4913403345842844 Energy: 1.5705670153995261 Energy: 1.5904060871207777 Energy: 1.5302917976118378 Energy: 1.5848895765137831 Energy: 1.5016318285082118 Energy: 1.5172384276893014 Energy: 1.521846281145661 Energy: 1.8112299279566255 Energy: 1.6291349605899392 Energy: 1.573213258033509 Energy: 1.5776448610961624 Energy: 1.6245921329086936 Energy: 1.6721017383631362 Energy: 1.4615481649783622 Energy: 1.5486648155145932 Energy: 1.5955904250085409 Energy: 1.578278097379954 Energy: 1.557771578440903 Energy: 1.4484923732130917 Energy: 1.5550442402824778 Energy: 1.5822471779480418 Energy: 1.508877069449921 Energy: 1.6493237299048158 Energy: 1.5691939538571598 Energy: 1.5513998014593902 Energy: 1.6283490165138577 Energy: 1.5485174947460667 Energy: 1.4692905818540698 Energy: 1.6551023155118652 Energy: 1.4804865608120636 Energy: 1.6087092450508682 Energy: 1.5354740885325215 Energy: 1.5462386716091971 Energy: 1.713007388025944 Energy: 1.5030640955371843 Energy: 1.4904494710848581 Energy: 1.5025207795362199 Energy: 1.6084611177488677 Energy: 1.5764762759162019 Energy: 1.6316008131749258 Energy: 1.5549201559035877 Energy: 1.5286164594116565 Energy: 1.5634218058811926 Energy: 1.4926654906651893 Energy: 1.4841887117411319 Energy: 1.4945592706350423 Energy: 1.5030398168849965 Energy: 1.6545407875558882 Energy: 1.6235431061610284 Energy: 1.4921184412326927 Energy: 1.5580953820147585 Energy: 1.5423679505235144 Energy: 1.5192591922503553 Energy: 1.5598475924220878 Energy: 1.5747492588586964 Energy: 1.4038286802387614 Energy: 1.6514200895314164 Energy: 1.4381551657253027 Energy: 1.595062232971952 Energy: 1.6235291859754382 Energy: 1.5731553896737425 Energy: 1.7114797279391054 Energy: 1.6178109683480455 Energy: 1.559836963919621 Energy: 1.6145030893287637 Energy: 1.6144137336705284 Energy: 1.62933897413326 Energy: 1.571220030325403 Energy: 1.5314293217408692 Energy: 1.4510797183328685 Energy: 1.6010713300755899 Energy: 1.4591466166379736 Energy: 1.4979247438471905 Energy: 1.5066966924584235 Energy: 1.4585348247043248 Energy: 1.576299822784051 Energy: 1.5490146139097083 Energy: 1.4831590403242192 Energy: 1.612876703908926 Energy: 1.4993047801960562 Energy: 1.64078064037335 Energy: 1.5262005238773162 Energy: 1.4728054257901164 Energy: 1.4339067834674015 Energy: 1.537467302823164 Energy: 1.4590544881898666 Energy: 1.650525098021811 Energy: 1.533387160413766 Energy: 1.4769844561287242 Energy: 1.5395326056085241 Energy: 1.4512733457787597 Energy: 1.6231370853592433 Energy: 1.5847059657928977 Energy: 1.6521039097748205 Energy: 1.6141753272679888 Energy: 1.5902471554031905 Energy: 1.6380415404751303 Energy: 1.4162211210882782 Energy: 1.7407515955963195 Energy: 1.5198038529646207 Energy: 1.646238950185479 Energy: 1.6289724263524754 Energy: 1.5399456784659429 Energy: 1.6019524515540828 Energy: 1.5328599743506708 Energy: 1.5367281501441914 Energy: 1.5153325268777948 Energy: 1.4600746154348951 Energy: 1.4483218251963625 Energy: 1.5152322174603852 Energy: 1.571056790050257 Energy: 1.5319478221937832 Energy: 1.5354976540112204 Energy: 1.5150609365418364 Energy: 1.4873704570622768 Energy: 1.447738285896356 Energy: 1.4816670737010476 Energy: 1.6308452815375194 Energy: 1.4109313737907543 Energy: 1.6982359349951228 Energy: 1.5355956928825973 Energy: 1.6188851488471585 Energy: 1.6219142874426284 Energy: 1.5469159675577893 Energy: 1.6400736153294886 Energy: 1.508299780148372 Energy: 1.5867877091033575 Energy: 1.5589794635282066 Energy: 1.5537267077896664 Energy: 1.5836799934819732 Energy: 1.5623998568751596 Energy: 1.6639919986351417 Energy: 1.4909609137850484 Energy: 1.5250099080707225 Energy: 1.495151195124509 Energy: 1.5960124606512183 Energy: 1.5476736467833387 Energy: 1.5053041592701581 Energy: 1.4882041427032038 Energy: 1.5608501544903572 Energy: 1.4661972270128607 Energy: 1.5871641813227626 Energy: 1.5356098354415244 Energy: 1.526172991228485 Energy: 1.556871338050313 Energy: 1.4619564415304744 Energy: 1.4444157469640893 Energy: 1.5756100901265893 Energy: 1.514673888128176 Energy: 1.4934993881235272 Energy: 1.5247798976186306 Energy: 1.449798607457392 Energy: 1.585879036459654 Energy: 1.6188641258458916 Energy: 1.5528929299949754 Energy: 1.510217412826125 Energy: 1.721248584634549 Energy: 1.6615921839422838 Energy: 1.5236105366161934 Energy: 1.5579276098771413 Energy: 1.4755782711289518 Energy: 1.6783204938294916 Energy: 1.4608369365278402 Energy: 1.5301651153527842 Energy: 1.6254246309298257 Energy: 1.4657756318876354 Energy: 1.6490583692928367 Energy: 1.5258015101308564 Energy: 1.511103463996105 Energy: 1.5827735984648557 Energy: 1.565366880784426 Energy: 1.5735580161460627 Energy: 1.597589730026527 Energy: 1.6691250201766483 Energy: 1.5081883343080376 Energy: 1.6032359093317454 Energy: 1.5016356589401436 Energy: 1.4900041298394702 Energy: 1.5521962473656514 Energy: 1.4539742472321973 Energy: 1.5261373707350487 Energy: 1.6709197445961899 Energy: 1.540528633965568 Energy: 1.6092727020411601 Energy: 1.5858064077699618 Energy: 1.5516176769717196 Energy: 1.5512296998055448 Energy: 1.4946241664293136 Energy: 1.4685940859776456 Energy: 1.6555648764508069 Energy: 1.4816342712578714 Energy: 1.5630242153260128 Energy: 1.51314298561801 Energy: 1.5470197264802203 Energy: 1.72290163149884 Energy: 1.5949535757597482 Energy: 1.5241022834713596 Energy: 1.538205708201009 Energy: 1.610648813473044 Energy: 1.5741213295701744 Energy: 1.6404832364633952 Energy: 1.5624155253179879 Energy: 1.461367170967243 Energy: 1.506102287478578 Energy: 1.466982651794189 Energy: 1.483418480310229 Energy: 1.4836835446101113 Energy: 1.5207674697373421 Energy: 1.5549217907476895 Energy: 1.5926549114824933 Energy: 1.4719055628528233 Energy: 1.566300102764219 Energy: 1.5514605942244661 Energy: 1.5843384670902356 Energy: 1.5693122890796667 Energy: 1.5725790794965062 Energy: 1.4536589102254442 Energy: 1.6497543148274276 Energy: 1.5490310992063567 Energy: 1.493537357722918 Energy: 1.5262293387949364 Energy: 1.5231742674193414 Energy: 1.72017723985995 Energy: 1.5201761215376381 Energy: 1.570725060189266 Energy: 1.5529105929327272 Energy: 1.7284769015926382 Energy: 1.6193821024777377 Energy: 1.5760207200995158 Energy: 1.6159013611384259 Energy: 1.452643097852772 Energy: 1.6523279092254555 Energy: 1.453521760704475 Energy: 1.6022746618593329 Energy: 1.6284158665955333 Energy: 1.4604742650437104 Energy: 1.614337531669816 Energy: 1.5422039928360385 Energy: 1.4928193652021582 Energy: 1.6136932050945916 Energy: 1.5376167567212242 Energy: 1.6243205323666918 Energy: 1.5255520932749804 Energy: 1.4965016266373399 minimum gb energy = 1.4038286802387614 eV minimum distance = 2.17420891908832 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 1.566962172106794 Energy: 1.4751145611905765 Energy: 1.527525500177481 Energy: 1.5389703164255428 Energy: 1.8888202378958077 Energy: 1.4652820204681796 Energy: 1.5643899089150517 Energy: 1.541838976307064 Energy: 1.483970944402939 Energy: 1.591721616310498 Energy: 1.4968596097916123 Energy: 1.4394785011945668 Energy: 1.5109474732976798 Energy: 1.5837571304595186 Energy: 1.578746339652255 Energy: 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1.4918323698315754 Energy: 1.6039094577152189 Energy: 1.6547469619561717 Energy: 1.4968339673980575 Energy: 1.54546111353055 Energy: 1.4820322982959682 Energy: 1.61340529428399 Energy: 1.6358870432062431 Energy: 1.4436734517094478 Energy: 1.516017102611065 Energy: 1.4753192939743691 Energy: 1.476083768696522 Energy: 1.4665802877192635 Energy: 1.5319300944796148 Energy: 1.4790818664247294 Energy: 1.4127817453846798 Energy: 1.4702494343522223 Energy: 1.4744099872738152 Energy: 1.4783985137850932 Energy: 1.4954287042138221 Energy: 1.5469006642258165 Energy: 1.5970288805743087 Energy: 1.4174494838962746 Energy: 1.5508294972420673 Energy: 1.4958858985606722 Energy: 1.591747646972641 Energy: 1.4795961837443234 Energy: 1.5125981072109576 Energy: 1.5594012484826838 Energy: 1.5143406355746794 Energy: 1.6230064274774703 Energy: 1.6913488447616851 Energy: 1.558022946812565 Energy: 1.56060645716607 Energy: 1.471513430670689 Energy: 1.5838062524203373 Energy: 1.6625051415634349 Energy: 1.5879446134980646 Energy: 1.526372723816716 Energy: 1.506946209328698 Energy: 1.4943219589868677 Energy: 1.5069843932122267 Energy: 1.432531842301203 Energy: 1.5017155031972342 Energy: 1.6238341740062565 Energy: 1.644620522251213 Energy: 1.531996878570964 Energy: 1.5720885144017573 Energy: 1.4657368550856833 Energy: 1.4549182357970405 Energy: 1.722420366730226 Energy: 1.6206266539502394 Energy: 1.5172269551510724 Energy: 1.517586150507449 Energy: 1.440223923079709 Energy: 1.4391720708887157 Energy: 1.4326915750578275 Energy: 1.4797746887338123 Energy: 1.6689844606459636 Energy: 1.536341968785662 Energy: 1.4602511497686372 Energy: 1.5536404043657526 Energy: 1.4579797781388883 Energy: 1.510612146243022 Energy: 1.614947269854807 Energy: 1.6583287536553097 Energy: 1.4931542160151399 Energy: 1.5344979578716955 Energy: 1.4819847695187616 Energy: 1.5360657297889968 Energy: 1.5660869901013081 Energy: 1.562672781404146 Energy: 1.667386996304367 Energy: 1.4661707813913936 Energy: 1.5425302823481106 Energy: 1.4767734876807852 Energy: 1.613046546838928 Energy: 1.6343974612167578 Energy: 1.6039262090261996 Energy: 1.5332891787981517 Energy: 1.4803530836263767 Energy: 1.4300174522875506 Energy: 1.4511139242193212 Energy: 1.4931279957311476 Energy: 1.4642384963052513 Energy: 1.475851398534697 Energy: 1.5453613616938335 minimum gb energy = 1.4009971591396204 eV minimum distance = 2.16214890003774 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 1.5262257070456664 Energy: 1.5417106128225049 Energy: 1.5567378326201455 Energy: 1.5183633346141496 Energy: 1.6667316340030784 Energy: 1.573977841901838 Energy: 1.5489723334553693 Energy: 1.5031851329085624 Energy: 1.6120572178408288 Energy: 1.496604346950732 Energy: 1.559976971684645 Energy: 1.59776311774068 Energy: 1.4960137458013558 Energy: 1.622819546628289 Energy: 1.5011817673063315 Energy: 1.433496007273702 Energy: 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1.5915189057291388 Energy: 1.524704568709976 Energy: 1.6250148234418424 Energy: 1.581048858695998 Energy: 1.580482485093181 Energy: 1.5090758850803467 Energy: 1.6569432075273536 Energy: 1.5303496806170493 Energy: 1.4522616918182563 Energy: 1.516748673359469 Energy: 1.5022679741425193 Energy: 1.637957524163503 Energy: 1.5333967751006212 Energy: 1.5644528488495986 Energy: 1.4809593823422513 Energy: 1.4597095639355486 Energy: 1.5260463803798079 Energy: 1.5048426268889576 Energy: 1.4804443948535784 Energy: 1.5575021042356336 Energy: 1.7015273058929439 Energy: 1.5617560484304038 Energy: 1.4826143109876473 Energy: 1.5225739197081518 Energy: 1.4913039434540485 Energy: 1.444088727624169 Energy: 1.472301593392628 Energy: 1.4999107103226166 Energy: 1.4855331752145984 Energy: 1.4700883420308732 Energy: 1.5759207402970563 Energy: 1.575408139408498 Energy: 1.537424546305603 Energy: 1.5470374213025708 Energy: 1.5662237643177133 Energy: 1.5567765159813562 Energy: 1.5517284496322867 Energy: 1.6419016766254 Energy: 1.5793236862134876 Energy: 1.5670082323060432 Energy: 1.549677213850883 Energy: 1.5794723762828193 Energy: 1.5801176394949472 Energy: 1.567602222612973 Energy: 1.7312973628251087 Energy: 1.5100877319772272 Energy: 1.5808762949905246 Energy: 1.596067934714808 Energy: 1.5698871962139682 Energy: 1.535958209103024 Energy: 1.648699521243749 Energy: 1.4890567055196196 Energy: 1.478924065814381 Energy: 1.5647519982147566 Energy: 1.4974166022917692 Energy: 1.550783134786641 Energy: 1.4985115485071336 Energy: 1.571303009360498 Energy: 1.5594904860870553 Energy: 1.50916211682191 Energy: 1.5125450771133813 Energy: 1.5360962576127353 Energy: 1.6089979872104374 Energy: 1.5293296597309667 Energy: 1.6514007486089737 Energy: 1.5204755665284109 Energy: 1.4704548652118896 Energy: 1.5385205786344442 Energy: 1.5456190046711074 Energy: 1.4585839214537715 Energy: 1.4762464623496727 Energy: 1.4668223505425906 Energy: 1.5031180813232876 Energy: 1.5232829437606112 Energy: 1.5825776696794747 Energy: 1.5402957091704816 Energy: 1.534625103102073 Energy: 1.5732506239238415 Energy: 1.5360302736273348 Energy: 1.467014914293797 Energy: 1.536983102653252 Energy: 1.59832132810147 Energy: 1.5733351044323747 Energy: 1.5055857061898779 Energy: 1.6208919144354625 Energy: 1.5473747327699232 Energy: 1.6427972210293371 Energy: 1.543401161605454 Energy: 1.5607407814736711 Energy: 1.5018167835697134 Energy: 1.5563757649188354 Energy: 1.5877094015444049 Energy: 1.5675880598970562 Energy: 1.4737187969059755 Energy: 1.5095720100883547 Energy: 1.5263060906709138 Energy: 1.5139596007550509 Energy: 1.4463423875455002 Energy: 1.483435832507796 Energy: 1.4529994666975559 Energy: 1.5373361591154873 Energy: 1.4999210457418943 Energy: 1.53345020313055 Energy: 1.5056359549537977 Energy: 1.6803637521629102 Energy: 1.5481571251261765 Energy: 1.4923734518875778 Energy: 1.5714275040545653 Energy: 1.5890078164151324 Energy: 1.4898516401622357 Energy: 1.4753608947114314 Energy: 1.4889714627411534 Energy: 1.5066143094748048 Energy: 1.4550571320837173 Energy: 1.5614456660350888 Energy: 1.5675424464715726 Energy: 1.5138364724160644 Energy: 1.580290975401746 Energy: 1.586653063743601 Energy: 1.5324002422988703 Energy: 1.5353217516026838 Energy: 1.5731616755284918 Energy: 1.53848339852998 Energy: 1.6533729433382711 Energy: 1.5868003074811563 Energy: 1.5970157676846872 Energy: 1.620106349660286 Energy: 1.5191428457035145 Energy: 1.616482727900351 Energy: 1.477552271229856 Energy: 1.5977636686836643 Energy: 1.4941766040809985 Energy: 1.6419073378378555 Energy: 1.5612682619170282 Energy: 1.4799460720048747 Energy: 1.4218460628736198 Energy: 1.4948312566837683 Energy: 1.473365491076797 Energy: 1.4982926057980215 Energy: 1.5217526273937485 Energy: 1.530782686396573 Energy: 1.458481649021478 Energy: 1.466002334481517 Energy: 1.514502345425769 Energy: 1.593552959210581 Energy: 1.5544367347482417 Energy: 1.6841052434096486 Energy: 1.5525366832897416 Energy: 1.6297997580949228 Energy: 1.5053931110335717 Energy: 1.5497686094529872 Energy: 1.5235590458675092 Energy: 1.499471998351338 Energy: 1.4762485458119108 Energy: 1.5133634340975857 Energy: 1.566023207177204 Energy: 1.5187137314799954 Energy: 1.541676219223198 Energy: 1.5506662569464995 Energy: 1.54502555725666 Energy: 1.6004503553611151 Energy: 1.565070092119709 Energy: 1.4509583077504715 Energy: 1.5218603411069667 Energy: 1.5447627816188703 Energy: 1.625735828650313 Energy: 1.4764049128055647 Energy: 1.6179330841964459 Energy: 1.6352145942185903 Energy: 1.5601761787347574 Energy: 1.6147443404420432 Energy: 1.4921354700002971 Energy: 1.4809614983008745 Energy: 1.4870565673537526 Energy: 1.5806915939452326 Energy: 1.5368594508730244 Energy: 1.5135437385639403 Energy: 1.6122986822573873 Energy: 1.4700826798923492 Energy: 1.4234524322715567 Energy: 1.4983441148616476 Energy: 1.5854179049916834 Energy: 1.5483221093574662 Energy: 1.5399944447328286 Energy: 1.5171386065016035 Energy: 1.5392787525535978 Energy: 1.5112001458528077 Energy: 1.5123468855826285 Energy: 1.6959652792971622 Energy: 1.5224621830304006 Energy: 1.4889234017308146 Energy: 1.586596600697063 Energy: 1.5159114682268828 Energy: 1.595753540377715 Energy: 1.5555485502056012 Energy: 1.5052821153838034 Energy: 1.5494821540550876 Energy: 1.4937746368251272 Energy: 1.4738678191104515 minimum gb energy = 1.4218460628736198 eV minimum distance = 2.17419646669494 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 1.4034197114208768 Energy: 1.3888666393499296 Energy: 1.822650369502642 Energy: 1.6446585570133645 Energy: 1.4782652395182803 Energy: 1.5419181031018359 Energy: 1.389103506627189 Energy: 1.386929792837459 Energy: 1.5069037688751379 Energy: 1.5299190493388204 Energy: 1.5191798900423334 Energy: 1.4949486982020004 Energy: 1.4509382683042729 Energy: 1.5970809556943055 Energy: 1.4504876754220704 Energy: 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1.471572757165775 Energy: 1.4530044283198065 Energy: 1.5534218783092104 Energy: 1.5165240376234412 Energy: 1.5195958312675888 Energy: 1.5294570943517058 Energy: 1.6362616232032816 Energy: 1.5036522514186954 Energy: 1.4959665518184213 Energy: 1.5351960165486787 Energy: 1.4190717569364617 Energy: 1.4499487988397304 Energy: 1.5382539178191161 Energy: 1.4511409201141838 Energy: 1.3868704004606975 Energy: 1.496686741617721 Energy: 1.4176586828879418 Energy: 1.6318040396171392 Energy: 1.5096497325736995 Energy: 1.3884355966219277 Energy: 1.4501360574569355 Energy: 1.4547376586286052 Energy: 1.4578051452824508 Energy: 1.4212415151609137 Energy: 1.5568998321603438 Energy: 1.3889835344345736 Energy: 1.3899811217206448 Energy: 1.4878028943323491 Energy: 1.3870538852268925 Energy: 1.5061535161381587 Energy: 1.737219468191531 Energy: 1.3830770895971325 Energy: 1.5636605196216626 Energy: 1.5573117767367355 Energy: 1.4508591210198782 Energy: 1.3876215508255083 Energy: 1.5079175308230575 Energy: 1.4198812140405161 Energy: 1.4517105088916713 Energy: 1.5155730110581267 Energy: 1.5334371079178306 Energy: 1.4504918863926604 Energy: 1.455992673489676 Energy: 1.38086906041355 Energy: 1.5285197596330278 Energy: 1.521368902537151 Energy: 1.4984431998469623 Energy: 1.4534513756196783 Energy: 1.4511903502977779 Energy: 1.4699673415401482 Energy: 1.487649626144001 Energy: 1.5494469892378397 Energy: 1.3968398550490486 Energy: 1.5120814033110674 Energy: 1.5294355082535425 Energy: 1.5219174178202355 Energy: 1.5019286118212234 Energy: 1.5155202568201815 Energy: 1.5184186796203323 Energy: 1.4887250247545727 Energy: 1.5676159866579356 Energy: 1.5280483268097378 Energy: 1.5639952339130274 Energy: 1.3904173759999696 Energy: 1.4950952120281484 Energy: 1.562777660152207 Energy: 1.529012839493 Energy: 1.5203671238725207 Energy: 1.5624506590171356 Energy: 1.4507652318199922 Energy: 1.4565837055959001 Energy: 1.3961111353176454 Energy: 1.4515869603043077 Energy: 1.5382654127564608 Energy: 1.3900546639014817 Energy: 1.3886569494621348 Energy: 1.4877648310971094 Energy: 1.3869037040859145 Energy: 1.4586341537996896 Energy: 1.4177060814129554 Energy: 1.6341827387963839 Energy: 1.3892663091043722 Energy: 1.3881723263882184 Energy: 1.45058566421864 minimum gb energy = 1.38086906041355 eV minimum distance = 2.20294120126675 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 1.6776180123517068 Energy: 1.6744309430371664 Energy: 1.7876918040413718 Energy: 1.8204885373351196 Energy: 1.514103688081499 Energy: 1.5858522893089537 Energy: 1.6776171920004812 Energy: 1.4509026943906869 Energy: 1.4863814549918326 Energy: 1.810121371558225 Energy: 1.5981865740704577 Energy: 1.621030161073131 Energy: 1.5572274530019745 Energy: 1.6614852686771373 Energy: 1.513873258116178 Energy: 1.5679547728231036 Energy: 1.4619202069321033 Energy: 1.6133617293174878 Energy: 1.705961724846604 Energy: 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1.434398349919706 Energy: 1.516994125978591 Energy: 1.6093534786100656 Energy: 1.5159993261840243 Energy: 1.6189132457209379 Energy: 1.552291295830128 Energy: 1.5233960919378096 Energy: 1.708097311809594 Energy: 1.7100161472607902 Energy: 1.5827316084858498 Energy: 1.5871234067333166 Energy: 1.4183656252420158 Energy: 1.5890438564185214 Energy: 1.6983210405903815 Energy: 1.4182715470520384 Energy: 1.5665384100623407 Energy: 1.4571989717564777 Energy: 1.4925907648401746 Energy: 1.4450415575702664 Energy: 1.528571914099992 Energy: 1.4838574768213053 Energy: 1.43537986567076 Energy: 1.5149659104496658 Energy: 1.591162277479513 Energy: 1.6435591794426125 Energy: 1.6685853076473942 Energy: 1.6735902529321949 Energy: 1.6826471253186213 Energy: 1.668453299032461 Energy: 1.5766157873010347 Energy: 1.7866527554108729 Energy: 1.5915766524173336 Energy: 1.458296498356066 Energy: 1.5258036721454749 Energy: 1.6689443566998217 Energy: 1.6671118812203018 Energy: 1.516471822533248 Energy: 1.4640196321215253 Energy: 1.4467693799131058 Energy: 1.5822012068611995 Energy: 1.4359444774053478 Energy: 1.728283119726388 Energy: 1.5116299266883082 Energy: 1.5936279442085817 Energy: 1.5792380360369798 Energy: 1.6121825249871977 Energy: 1.7271708847285423 Energy: 1.7000831663321094 Energy: 1.6585717190833196 Energy: 1.7011174117369505 Energy: 1.6110957375399286 Energy: 1.4351850783198339 Energy: 1.6419981427720616 Energy: 1.4976851426895725 Energy: 1.4638200049579304 Energy: 1.5697550374800286 Energy: 1.4168808650359226 Energy: 1.5238576594455644 Energy: 1.552671637108065 Energy: 1.4613905855100828 Energy: 1.3698005307855756 Energy: 1.545335476893257 Energy: 1.3817267293662512 Energy: 1.3881498946906385 Energy: 1.4854602764708198 Energy: 1.5148798826735508 Energy: 1.4083801873750625 Energy: 1.433116824411917 Energy: 1.4236270682531635 Energy: 1.41577829479816 Energy: 1.388452779742337 Energy: 1.3721989734680522 Energy: 1.5403739416328937 Energy: 1.527427102980441 Energy: 1.3890927306700187 Energy: 1.3886314133064015 Energy: 1.3739361754790376 Energy: 1.4303654288178564 Energy: 1.3699748628470083 Energy: 1.4801080996304505 Energy: 1.5155526057700637 Energy: 1.4813221118065971 Energy: 1.4105095598790813 Energy: 1.5335570109428205 Energy: 1.4348411853431167 Energy: 1.5164862598289868 Energy: 1.6112943651333616 Energy: 1.5934385474009256 Energy: 1.5722915312770591 Energy: 1.5530794119949871 Energy: 1.5135997679093331 Energy: 1.4096088270671177 Energy: 1.5622489801059658 Energy: 1.5822861543077555 Energy: 1.4639382321961059 Energy: 1.5632222256963884 Energy: 1.5448303404970127 Energy: 1.39130464560599 Energy: 1.6988327546563158 Energy: 1.610148580201972 Energy: 1.498089555157893 Energy: 1.600500989005839 Energy: 1.4571029803010052 Energy: 1.587673465069733 Energy: 1.5163260833089005 Energy: 1.5136626462027303 Energy: 1.5407883370630344 Energy: 1.509492927245854 Energy: 1.9225583706370077 Energy: 1.6703822611140817 Energy: 1.6727749557608098 Energy: 1.4760208940795194 Energy: 1.667346317324369 Energy: 1.5107698719325253 Energy: 1.6399638225316235 Energy: 1.5619213617697723 Energy: 1.457199073366862 Energy: 1.5878662581594185 Energy: 1.7763311715434398 minimum gb energy = 1.3698005307855756 eV minimum distance = 2.10531864271992 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 1.6338031996380313 Energy: 1.5014725122620478 Energy: 1.7612549082938143 Energy: 1.645256716477983 Energy: 1.7085852883956774 Energy: 1.7188839168349608 Energy: 1.4986894475954646 Energy: 1.7717992237761744 Energy: 1.655847313294767 Energy: 1.7375740170697918 Energy: 1.8370826020897948 Energy: 1.7161539845910607 Energy: 1.7623787349557771 Energy: 1.7812382516898237 Energy: 1.7035174646816347 Energy: 1.6586029696664084 Energy: 1.5723875414407726 Energy: 1.75105554149708 Energy: 1.755310708083118 Energy: 1.6633383274635558 Energy: 1.6929948309808702 Energy: 1.653210231123994 Energy: 1.6011420304819461 Energy: 1.6317573420443752 Energy: 1.5568210886644531 Energy: 1.6633200602618887 Energy: 1.6239410799574912 Energy: 1.6516630032123425 Energy: 1.6325480259719396 Energy: 1.7102434097906483 Energy: 1.6714690088394533 Energy: 1.642846648944967 Energy: 1.6075534460537517 Energy: 1.6666762506907356 Energy: 1.6531555401789364 Energy: 1.4740176763402635 Energy: 1.5416225750570403 Energy: 1.6665688158436907 Energy: 1.6398528593831596 Energy: 1.5102750723189027 Energy: 1.5638669461111803 Energy: 1.5910539873183034 Energy: 1.5932981324381101 Energy: 1.5620558630327521 Energy: 1.5086219894529898 Energy: 1.5950806752617277 Energy: 1.6089159060102751 Energy: 1.5487044918715867 Energy: 1.5531632666438815 Energy: 1.5423800788252842 Energy: 1.3794060085792712 Energy: 1.5468283063662318 Energy: 1.6658669052285828 Energy: 1.662894769401668 Energy: 1.5530968206956373 Energy: 1.4800538306054336 Energy: 1.4514986906599356 Energy: 1.4563278960917185 Energy: 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1.64449220452489 Energy: 1.652432168417429 Energy: 1.640161229849898 Energy: 1.6583305410500315 Energy: 1.7787404885489226 Energy: 1.6550057944322962 Energy: 1.6887515239722402 Energy: 1.8292291541467032 Energy: 1.6981841117473035 Energy: 1.7857615719761268 Energy: 1.5176545745909904 Energy: 1.7863974068760324 Energy: 1.667477837541949 Energy: 1.6457396477701631 Energy: 1.7798641638859503 Energy: 1.6968826055816848 Energy: 1.7510638273284753 Energy: 1.5999790459834997 Energy: 1.7678963999590454 Energy: 1.671642302259717 Energy: 1.6399276877478441 Energy: 1.7806658680641168 Energy: 1.633830604479042 Energy: 1.7960047685939955 Energy: 1.7625060904928898 Energy: 1.641335719872017 Energy: 1.7096911884974924 Energy: 1.6852182087064878 Energy: 1.6897310190076065 Energy: 1.7791016483501934 Energy: 1.605805359410035 Energy: 1.7362547048109047 Energy: 1.707407363368677 Energy: 1.7684682824121383 Energy: 1.7814564624072617 Energy: 1.7468009024626538 Energy: 1.5520253522931404 Energy: 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1.6479899174457757 Energy: 1.6109922007935564 Energy: 1.5365953091595395 Energy: 1.4820000875874 Energy: 1.4502060976928453 Energy: 1.455887066361965 Energy: 1.6542927495013993 Energy: 1.508506003750254 Energy: 1.57956235545513 Energy: 1.6625665412210506 Energy: 1.6788938771190811 Energy: 1.6764024920822238 Energy: 1.6704609213221635 Energy: 1.6096408186437958 Energy: 1.4239234963459821 Energy: 1.378791763404398 Energy: 1.6458382822885824 Energy: 1.5115348120765186 Energy: 1.6114550608945972 Energy: 1.5219105682959997 Energy: 1.6355093421856108 Energy: 1.4436134327792205 Energy: 1.4876180393338458 Energy: 1.6143152025398284 Energy: 1.494856153057906 Energy: 1.4612430487282282 Energy: 1.4722445160143809 Energy: 1.6615272019577598 Energy: 1.6475314724755517 Energy: 1.5954078898886523 Energy: 1.6270765294540934 Energy: 1.559032663228049 Energy: 1.5713521376090613 Energy: 1.37403319703819 Energy: 1.5450749162629085 Energy: 1.5814331257176375 Energy: 1.638528244413348 Energy: 1.5379940114779505 Energy: 1.367639366598649 Energy: 1.6557301655483616 Energy: 1.5812653697031454 Energy: 1.5394117945704033 Energy: 1.58215766160239 Energy: 1.56303234426934 Energy: 1.504835986131141 Energy: 1.5442980241024291 Energy: 1.496347457988033 Energy: 1.5990231419419645 Energy: 1.6457227324965158 Energy: 1.4844893205772045 Energy: 1.5601939509906746 Energy: 1.5076909264700504 Energy: 1.581448609432459 Energy: 1.631218138600795 Energy: 1.558204726241071 Energy: 1.7193272717656456 Energy: 1.581145390059098 Energy: 1.5978332960273527 Energy: 1.644852219208513 Energy: 1.5921122955315765 Energy: 1.6326604204624753 Energy: 1.5737128102183116 Energy: 1.605598214960354 Energy: 1.6308851304208978 Energy: 1.6103077605147338 Energy: 1.5622336047703074 Energy: 1.551646660608156 Energy: 1.5485775767445487 Energy: 1.565428597086169 Energy: 1.5727404214652019 Energy: 1.6600647499127903 Energy: 1.744441448814036 Energy: 1.6547801212100932 Energy: 1.6507156994308236 Energy: 1.7032777928254197 Energy: 1.6892990368025045 Energy: 1.6785098691034226 Energy: 1.760114449428809 Energy: 1.7610346910394503 Energy: 1.7680785599374682 Energy: 1.6603185631343107 Energy: 1.6555015723572595 Energy: 1.7920370847704281 Energy: 1.6600210547855165 Energy: 1.642641329475018 Energy: 1.6546069404559478 Energy: 1.6846616663153173 Energy: 1.6924182127652045 Energy: 1.699234566684891 Energy: 1.6781443829585703 Energy: 1.479109069471055 Energy: 1.7406065476067187 Energy: 1.6726854868729737 Energy: 1.6387923547666225 Energy: 1.7798891243516899 Energy: 1.7016292813894833 Energy: 1.7975041980880964 Energy: 1.5596572231153878 Energy: 1.7828640059833192 Energy: 1.6664065615240387 Energy: 1.6449490000334521 Energy: 1.7799457262895537 Energy: 1.6345371725135327 Energy: 1.721838229852393 Energy: 1.7520372958235002 Energy: 1.6613668776331314 Energy: 1.7090124125467416 Energy: 1.6884908367570042 Energy: 1.6902061248554632 minimum gb energy = 1.3497883412831746 eV minimum distance = 2.1085710073157 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 1.5035888977612413 Energy: 1.4357388436856815 Energy: 1.439197807229323 Energy: 1.4327636294985713 Energy: 1.4328832142621073 Energy: 1.437320680176498 Energy: 1.4343705797646533 Energy: 1.436100977874213 Energy: 1.6983393660865627 Energy: 1.398266669916274 Energy: 1.4025502409831916 Energy: 1.4009291197893166 Energy: 1.4005876354009057 Energy: 1.6986857229463332 Energy: 1.3982874527475002 Energy: 1.7609652674087135 Energy: 1.4010460622466632 Energy: 1.4151745607887927 Energy: 1.4120079119358098 Energy: 1.4026508341857606 Energy: 1.4332876462478712 Energy: 1.3986999921157577 Energy: 1.7588592064823525 Energy: 1.4031972911951902 Energy: 1.4350472288571987 Energy: 1.4322664023905642 Energy: 1.4063018192642314 Energy: 1.4374359567959702 Energy: 1.4342740785464159 Energy: 1.7084252504990902 Energy: 1.4084754265947 Energy: 1.712374144527984 Energy: 1.3824736180509831 Energy: 1.4081322546328792 Energy: 1.7041451974343023 Energy: 1.398140102779579 Energy: 1.7809821387569118 Energy: 1.4351008228484927 Energy: 1.4331945422789993 Energy: 1.4332755121481169 Energy: 1.438253136175283 Energy: 1.4347509848165567 Energy: 1.399201698765199 Energy: 1.7614408757180045 Energy: 1.4006543890416878 Energy: 1.4104178828232874 Energy: 1.4073306538142305 Energy: 1.4011799077839906 Energy: 1.698128721234072 Energy: 1.3988618582688026 Energy: 1.7593684546943857 Energy: 1.400075520795298 Energy: 1.4116388370526216 Energy: 1.4079422676445417 Energy: 1.4015252150543198 Energy: 1.760754376286044 Energy: 1.3991543119219085 Energy: 1.7826486779690873 Energy: 1.4000217191566018 Energy: 1.433815400927851 Energy: 1.434124131805763 Energy: 1.424864350485454 Energy: 1.435645631034523 Energy: 1.4338039186852638 Energy: 1.7011197923367438 Energy: 1.4085187480674963 Energy: 1.7116621046865161 Energy: 1.7100938372744503 Energy: 1.4100950687471752 Energy: 1.6997684095163315 Energy: 1.4000335851439552 Energy: 1.7817380258937812 Energy: 1.3992414658395766 Energy: 1.4343495307503238 Energy: 1.4350839237969932 Energy: 1.4039816604483832 Energy: 1.4364829831669503 Energy: 1.398433366495964 Energy: 1.7593638636125466 Energy: 1.4002686518061953 Energy: 1.4124234245124117 Energy: 1.4092767813407772 Energy: 1.401836248883915 Energy: 1.7586207324958516 Energy: 1.3993700489549068 Energy: 1.7382113757649338 Energy: 1.400757811980907 Energy: 1.409583852000967 Energy: 1.4058132696232748 Energy: 1.401861356171157 Energy: 1.6984313895770713 Energy: 1.3983113404530112 Energy: 1.759582394205274 Energy: 1.4399302148396083 Energy: 1.4328460579764524 Energy: 1.4331041263718112 Energy: 1.4376036665313918 Energy: 1.4345089882257487 Energy: 1.4347851684404669 Energy: 1.6992799831202177 Energy: 1.4082439491568064 Energy: 1.3853714215266049 Energy: 1.4001466744301105 Energy: 1.3982926376275504 Energy: 1.7071763032657876 Energy: 1.3985623348233729 Energy: 1.7599146439533309 Energy: 1.4025562425113571 Energy: 1.4324593965717398 Energy: 1.4194146567413841 Energy: 1.4046160152461606 Energy: 1.4372631279464205 Energy: 1.3981709087229075 Energy: 1.761240347187688 Energy: 1.402184844840414 Energy: 1.4233553271895543 Energy: 1.4141527911363225 Energy: 1.4035892155156242 Energy: 1.4339348864557964 Energy: 1.4352959954148299 Energy: 1.6977202569680678 Energy: 1.3978633412949886 Energy: 1.401503958848959 Energy: 1.4012560095751614 Energy: 1.3978832358801412 Energy: 1.7025959220898872 Energy: 1.397928871285953 Energy: 1.7601784874297195 Energy: 1.4393561412345883 Energy: 1.432820845875324 Energy: 1.4329782640418243 Energy: 1.437455489391192 Energy: 1.434448385200439 Energy: 1.3982889731516388 Energy: 1.7368032788085612 Energy: 1.4002698414507286 Energy: 1.4085234208673376 Energy: 1.4057121994105326 Energy: 1.4017329953373363 Energy: 1.6978348044172524 minimum gb energy = 1.3824736180509831 eV minimum distance = 2.28207408655052 Angstroms sigma value = 23