Model name: model_name=EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.051526293158533 cohesive_energy=3.3624417440272794 mass=26.981538 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 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: -9.23201098901316e-12 eV ======================================== theta = 0.0 ======================================== Energy: 0.0126905092823686 Energy: 0.37013691278910305 Energy: 0.20491457826106643 Energy: 0.3701184785073322 Energy: 0.012690509282164744 Energy: 0.3701369127884914 Energy: 0.36107077764818213 Energy: 0.36065121410223877 Energy: 0.01281342920000052 Energy: 0.24967236096169723 Energy: 0.012852577833337943 Energy: 0.3606512141028277 Energy: 0.01281342919821113 Energy: 0.24967236096210493 Energy: 0.0126905092823686 Energy: 0.3701369127886953 Energy: 0.2049145782612703 Energy: 0.3701184785075361 Energy: 0.012690509281983542 Energy: 0.3701369127884914 Energy: 0.3610707776479783 Energy: 0.3606512141024426 Energy: 0.012813429200204379 Energy: 0.2496723609614934 Energy: 0.012852577833541797 Energy: 0.3606512141028277 Energy: 0.012813429198007275 Energy: 0.24967236096210493 Energy: 0.0126905092823686 Energy: 0.37013691278889915 Energy: 0.20491457826106643 Energy: 0.3701184785075361 Energy: 0.012690509281983542 Energy: 0.3701369127884914 Energy: 0.3610707776479783 Energy: 0.3606512141024426 Energy: 0.01281342920000052 Energy: 0.2496723609614934 Energy: 0.012852577833723 Energy: 0.3606512141028277 Energy: 0.01281342919821113 Energy: 0.24967236096210493 minimum gb energy = 0.012690509281983542 eV minimum distance = 2.84572446175531 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 0.8899071474252132 Energy: 0.822243651253804 Energy: 0.9210936440813081 Energy: 0.8224568242611198 Energy: 0.8899071474154726 Energy: 0.8222436512635447 Energy: 0.868820362852061 Energy: 0.8176755203623356 Energy: 0.8186787914706339 Energy: 0.8717426877213096 Energy: 0.8328441012008593 Energy: 0.8176755203623356 Energy: 0.8186787914706339 Energy: 0.8717426877261799 Energy: 0.8092474690517997 Energy: 0.8083139336139419 Energy: 0.9006531982925593 Energy: 0.8182103760581401 Energy: 0.8092474690493645 Energy: 0.8083139336236823 Energy: 0.9006531982828186 Energy: 0.8775843687804034 Energy: 0.8228410666597094 Energy: 0.8722558176525539 Energy: 0.8326682468029512 Energy: 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0.861386395832784 Energy: 0.8191608660037389 Energy: 0.8388375105399136 Energy: 0.8512965495620108 Energy: 0.8077071290304741 Energy: 0.8438253001642151 Energy: 0.8266683633882004 Energy: 0.8512965495644459 Energy: 0.8077071290304741 Energy: 0.8438253001569096 Energy: 0.8928786124981661 Energy: 0.8341413500737395 Energy: 0.8688654793832298 Energy: 0.8613825322406864 Energy: 0.8928786125006013 Energy: 0.8341413500810448 Energy: 0.868865479390535 Energy: 0.8521167822325789 Energy: 0.8211530204161515 Energy: 0.889650687637997 Energy: 0.8615923990525728 Energy: 0.8521167822301439 Energy: 0.8211530204112811 Energy: 0.8896506876404322 Energy: 0.7970919231726338 Energy: 0.8260073005470701 Energy: 0.9022860284881161 Energy: 0.8286511429178497 Energy: 0.7970919231653284 Energy: 0.8260073005519405 Energy: 0.9022860284905512 Energy: 0.8126294409140884 Energy: 0.8605602480746175 Energy: 0.9605513553073183 Energy: 0.8227834848079895 Energy: 0.812629440906783 Energy: 0.8605602480746175 Energy: 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0.8213918412695922 Energy: 0.8669170887699772 Energy: 0.8298117965141484 Energy: 0.867275249819868 Energy: 0.8727926243801035 Energy: 0.8145333378051234 Energy: 0.8298117965150028 Energy: 0.8672752498226322 Energy: 0.8639312014198373 Energy: 0.829734174420251 Energy: 0.861575364781838 Energy: 0.8140634079979574 Energy: 0.8150985613412379 Energy: 0.8297341744188438 Energy: 0.8615753647771642 Energy: 0.8140634079943891 Energy: 0.808516790499755 Energy: 0.8159014569790283 Energy: 0.9129883927230049 Energy: 0.8262857694665152 Energy: 0.8085167905003079 Energy: 0.8159014569787267 Energy: 0.9129883927293372 Energy: 0.8317347143723612 Energy: 0.8110409862742358 Energy: 0.8610071403760773 Energy: 0.8246347339893635 Energy: 0.8317347143731654 Energy: 0.8110409862711703 Energy: 0.8546652970936799 Energy: 0.8376002221725111 Energy: 0.8391961225916504 Energy: 0.8697345592668486 Energy: 0.8330422543920708 Energy: 0.8376002221752753 Energy: 0.839196122588635 Energy: 0.8697345592688086 Energy: 0.814358887816189 Energy: 0.8137215473322934 Energy: 0.8619552852074188 Energy: 0.8226651875830279 Energy: 0.8143588878178475 Energy: 0.8137215473328462 Energy: 0.8619552852099317 minimum gb energy = 0.8085167904980965 eV minimum distance = 2.58808961815646 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 0.8545652723058434 Energy: 0.830309867041755 Energy: 0.9201745994308985 Energy: 0.8302832806380589 Energy: 0.8545652723064818 Energy: 0.830309867041755 Energy: 0.9308695139569712 Energy: 0.8810414543098348 Energy: 0.8453825188270377 Energy: 0.8822508771900301 Energy: 0.8328535641081143 Energy: 0.8810414543107924 Energy: 0.8453825188279952 Energy: 0.8822508771900301 Energy: 0.856860830900716 Energy: 0.8490093988109566 Energy: 0.924788618998533 Energy: 0.8501659118184863 Energy: 0.8568608309010352 Energy: 0.8490093988103183 Energy: 0.924788618998533 Energy: 0.8581747175112873 Energy: 0.8312741270619805 Energy: 0.9413148511362671 Energy: 0.8285378915117595 Energy: 0.8581747175116066 Energy: 0.8312741270626187 Energy: 0.9413148511362671 Energy: 0.8620987779746648 Energy: 0.835674831707433 Energy: 0.9150270677432957 Energy: 0.8645656232204149 Energy: 0.8620987779756223 Energy: 0.835674831709348 Energy: 0.8832421855426931 Energy: 0.8437827698639689 Energy: 0.8454566472695852 Energy: 0.8709187785980033 Energy: 0.8264462664705394 Energy: 0.8437827698642881 Energy: 0.8454566472686278 Energy: 0.8709187785967265 Energy: 0.8411153954263915 Energy: 0.8354985087822047 Energy: 0.8714388807410036 Energy: 0.8551780134395203 Energy: 0.8411153954276682 Energy: 0.8354985087806087 Energy: 0.8714388807403652 Energy: 0.8479282035310426 Energy: 0.8317072956638557 Energy: 0.8929851084455889 Energy: 0.8336524857005706 Energy: 0.8479282035284892 Energy: 0.8317072956635366 Energy: 0.8929851084462271 Energy: 0.8537451312195081 Energy: 0.8328586202698991 Energy: 0.9528258196385138 Energy: 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0.8618491417469851 Energy: 0.877030508177221 Energy: 0.8633491157646842 Energy: 0.8338051431024132 Energy: 0.8902448692561378 Energy: 0.8285077103738525 Energy: 0.8633491157640459 Energy: 0.8338051430998598 Energy: 0.8902448692545417 Energy: 0.8555874293605489 Energy: 0.8462248529835734 Energy: 0.8804426835056269 Energy: 0.858568257322036 Energy: 0.8555874293618255 Energy: 0.84622485298102 Energy: 0.8804426835043503 Energy: 0.8618649727227667 Energy: 0.8431288966332444 Energy: 0.8905783305287578 Energy: 0.8771042655249057 Energy: 0.8618649727224477 Energy: 0.8431288966354785 Energy: 0.8905783305284387 Energy: 0.8469828100428728 Energy: 0.836594462214769 Energy: 0.8723043820199362 Energy: 0.8658120227470144 Energy: 0.8469828100425535 Energy: 0.8365944622163649 Energy: 0.8723043820186595 Energy: 0.8583335133599175 Energy: 0.8316594664089062 Energy: 0.8898078664700935 Energy: 0.8345220730452658 Energy: 0.8583335133618326 Energy: 0.8316594664098637 Energy: 0.8898078664700935 Energy: 0.8715275575149426 Energy: 0.8327709310751139 Energy: 0.9131008636896039 Energy: 0.8316944302868092 Energy: 0.8715275575165383 Energy: 0.832770931073199 Energy: 0.913100863688008 Energy: 0.8472367675690425 Energy: 0.8557329419080535 Energy: 0.8754881246403533 Energy: 0.8324602672388667 Energy: 0.8472367675703193 Energy: 0.8557329419077343 Energy: 0.87548812464163 Energy: 0.8412650585646645 Energy: 0.8461083977973352 Energy: 0.9036759088319736 Energy: 0.8281769656948373 Energy: 0.841265058563707 Energy: 0.8461083977976545 Energy: 0.903675908831016 Energy: 0.8621273522361066 Energy: 0.8618519580487968 Energy: 0.8321294083557156 Energy: 0.8355792867935252 Energy: 0.8621273522361066 Energy: 0.86185195804723 Energy: 0.832129411226695 Energy: 0.8510926510548417 Energy: 0.8420002413114452 Energy: 0.9049150914906575 Energy: 0.8340249770926482 Energy: 0.8510926510554799 Energy: 0.8420002413139988 Energy: 0.904915091491296 Energy: 0.858294193486093 Energy: 0.8408104265200635 Energy: 0.9142226570330647 Energy: 0.8518534491149358 Energy: 0.858294193486093 Energy: 0.8408104265213403 Energy: 0.9142226570314689 Energy: 0.8605157049999361 Energy: 0.8340217737618565 Energy: 0.8795189484518728 Energy: 0.8279743695885529 Energy: 0.8605157049999361 Energy: 0.8340217737615373 Energy: 0.879518948452192 Energy: 0.8583096603632997 Energy: 0.8302388178563327 Energy: 0.9156761367073363 Energy: 0.8303357184277339 Energy: 0.8583096603639382 Energy: 0.8302388178553752 Energy: 0.9156761367063788 Energy: 0.8581586680648502 Energy: 0.8498686746132964 Energy: 0.8691381035642947 Energy: 0.8800325597190725 Energy: 0.858158668066446 Energy: 0.8498686746142539 Energy: 0.8691381035633371 Energy: 0.8526376782438223 Energy: 0.850506815053459 Energy: 0.9242737083179803 Energy: 0.8429411787231113 Energy: 0.8526376782438223 Energy: 0.8505068150531399 Energy: 0.9242737083176611 Energy: 0.8411484740680696 Energy: 0.8339226141585665 Energy: 0.929370311134029 Energy: 0.8341555035968167 Energy: 0.8411484740677503 Energy: 0.8339226141576089 Energy: 0.9293703111346674 Energy: 0.8621523875721663 Energy: 0.8356385357658326 Energy: 0.8784587182414636 Energy: 0.8617195662846114 Energy: 0.8621523875718472 Energy: 0.83563853576679 Energy: 0.8784587182395486 Energy: 0.8462255928325997 Energy: 0.8278317077675126 Energy: 0.8891016667308538 Energy: 0.8256680534743134 Energy: 0.8462255928325997 Energy: 0.8278317077675126 Energy: 0.8891016667311729 Energy: 0.8409966752029425 Energy: 0.8445553400873794 Energy: 0.8643597054088615 Energy: 0.8558710443254751 Energy: 0.8409966752003891 Energy: 0.8445553401355603 Energy: 0.8643597054104575 Energy: 0.8481111349077551 Energy: 0.8363384782690396 Energy: 0.9032156050575757 Energy: 0.8369025098014149 Energy: 0.8481111349077551 Energy: 0.8363384782690396 Energy: 0.9032156050566181 Energy: 0.84041352281726 Energy: 0.8347010275441968 Energy: 0.9427091945451319 Energy: 0.8580078376932834 Energy: 0.84041352281726 Energy: 0.8347010275435585 Energy: 0.9427091945467277 Energy: 0.8422695104340627 Energy: 0.8679178538687853 Energy: 0.869178309637706 Energy: 0.8324804609955782 Energy: 0.8422695104343819 Energy: 0.8679178538694238 Energy: 0.8691783089913476 minimum gb energy = 0.8256680534743134 eV minimum distance = 2.6082018598661 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 0.8364203524341688 Energy: 0.8558104809013314 Energy: 0.924833621260095 Energy: 0.8556240265496965 Energy: 0.8364203524307784 Energy: 0.855810480899448 Energy: 0.907339830898192 Energy: 0.8242671415486416 Energy: 0.8670594462458994 Energy: 0.819807504975701 Energy: 0.866687650721638 Energy: 0.8242671415497717 Energy: 0.8670594462455227 Energy: 0.8198075049839539 Energy: 0.8365511808359176 Energy: 0.7973388259230799 Energy: 0.8560400039241076 Energy: 0.8306177922911321 Energy: 0.8365511808385544 Energy: 0.7973388259193129 Energy: 0.8560400039248609 Energy: 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0.8814620436481568 Energy: 0.8324336844895209 Energy: 0.9342148713453053 Energy: 0.8306498610244853 Energy: 0.8878291501786296 Energy: 0.8243839214054586 Energy: 0.8660175738976571 Energy: 0.8845646450981601 Energy: 0.8489893947100381 Energy: 0.8243839214035751 Energy: 0.866017573900294 Energy: 0.8845646450962767 Energy: 0.8813885096625776 Energy: 0.8307312603882319 Energy: 0.8563093294434557 Energy: 0.8325105858826125 Energy: 0.8813885096588109 Energy: 0.830731260389362 Energy: 0.8563093083925347 Energy: 0.8243389006726509 Energy: 0.8481556393397095 Energy: 0.819993378825158 Energy: 0.8672918115253174 Energy: 0.8243389006752877 Energy: 0.8481556393355659 Energy: 0.8199933788255347 Energy: 0.8364473866282637 Energy: 0.8306372358054398 Energy: 0.8694415912538128 Energy: 0.7973102569027605 Energy: 0.8364473866324074 Energy: 0.8306372358016729 Energy: 0.8485835574636984 Energy: 0.8244319772385297 Energy: 0.8664217964892553 Energy: 0.8198773531514558 Energy: 0.8670253292835735 Energy: 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0.8319556602653987 Energy: 0.8243115091750546 Energy: 0.8490694249579082 Energy: 0.8844500337650602 Energy: 0.8660516761775268 Energy: 0.824311509176938 Energy: 0.8490694249609216 Energy: 0.8844500337646835 Energy: 0.9318256958702856 Energy: 0.8324304556823002 Energy: 0.8473801639322338 Energy: 0.8305554872081581 Energy: 0.9318256958687791 Energy: 0.83243045568004 Energy: 0.8567317110933045 Energy: 0.8244036781262097 Energy: 0.8194103616849174 Energy: 0.9261799819251194 Energy: 0.8193388465650422 Energy: 0.8244036781228539 Energy: 0.8194103616852941 Energy: 0.9261799819277562 Energy: 0.9342148713415385 Energy: 0.8306498610241088 Energy: 0.8736628413227335 Energy: 0.8324336844883908 Energy: 0.9342148713445518 Energy: 0.8306498610244853 Energy: 0.8850233640400024 Energy: 0.8243839214073421 Energy: 0.8660175738969037 Energy: 0.8845646450981601 Energy: 0.8489893947089081 Energy: 0.8243839214047053 Energy: 0.8660175739006706 Energy: 0.8845646450966533 Energy: 0.881388509663331 Energy: 0.8307312603886085 Energy: 0.8181043328658699 Energy: 0.832510585883366 Energy: 0.8813885096588109 Energy: 0.8307312603882319 Energy: 0.8401589851004996 Energy: 0.8243389006734043 Energy: 0.8481556393404629 Energy: 0.8199933788247812 Energy: 0.8672918115268241 Energy: 0.8243389006756643 Energy: 0.8481556393382027 Energy: 0.8199933788240278 Energy: 0.8364473866282637 Energy: 0.8306372358050631 Energy: 0.8495394635191525 Energy: 0.7973102569023838 Energy: 0.8364473866331606 Energy: 0.8306372358024263 Energy: 0.8495394635131597 Energy: 0.8244319772381529 Energy: 0.866421796495659 Energy: 0.8198773531507025 Energy: 0.8670253292862102 Energy: 0.8244319772373996 Energy: 0.8664217964877485 Energy: 0.8198773531510792 Energy: 0.8364203524349221 Energy: 0.8558104809009547 Energy: 0.8939278464937831 Energy: 0.8556240265496965 Energy: 0.8364203524307784 Energy: 0.855810480899448 Energy: 0.9166687556806872 Energy: 0.824267141548265 Energy: 0.8670594462458994 Energy: 0.8198075049772079 Energy: 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0.8137699638554173 Energy: 0.8581912668705148 Energy: 0.8841111669227885 Energy: 0.8679955891559917 Energy: 0.8137699638563319 Energy: 0.8581912668691429 Energy: 0.8309004008501985 Energy: 0.867398841177315 Energy: 0.8483627453824928 Energy: 0.8698256183100145 Energy: 0.8309004008483691 Energy: 0.8673988411777723 Energy: 0.8483627453802064 Energy: 0.867768755134925 Energy: 0.8137080064219707 Energy: 0.8800652570618496 Energy: 0.883998659612751 Energy: 0.8677687551344677 Energy: 0.8137080064205988 Energy: 0.8800652570641361 Energy: 0.7958770770064886 Energy: 0.8658409184115278 Energy: 0.848305987008151 Energy: 0.8674016999761793 Energy: 0.7958770770064886 Energy: 0.8658409184128995 Energy: 0.8483059870067791 Energy: 0.8721122943040038 Energy: 0.8065889661054317 Energy: 0.9055292222458874 Energy: 0.8126612000333747 Energy: 0.872112294302632 Energy: 0.8065889661054317 Energy: 0.9055292222458874 Energy: 0.7958054419608231 Energy: 0.8756904456426329 Energy: 0.8657567484826844 Energy: 0.8782035797023771 Energy: 0.7958054419617377 Energy: 0.8756904456421756 Energy: 0.8657567484831415 Energy: 0.8748162732241461 Energy: 0.8341846855462163 Energy: 0.8956048839303657 Energy: 0.8139044498633086 Energy: 0.8748162732278045 Energy: 0.834184685545759 Energy: 0.8956048839317378 Energy: 0.7957377592260202 Energy: 0.8705830643195492 Energy: 0.848076818401946 Energy: 0.8444391048699761 Energy: 0.7957377592269349 Energy: 0.8705830643190918 Energy: 0.8480768184023825 Energy: 0.8677556131275587 Energy: 0.8421061621207464 Energy: 0.8720009987243384 Energy: 0.8727761448644722 Energy: 0.8677556131261869 Energy: 0.8421061621207464 Energy: 0.872000998724796 Energy: 0.7958041706989432 Energy: 0.870399718781071 Energy: 0.8485709592915837 Energy: 0.8671839262332549 Energy: 0.7958041706984859 Energy: 0.8703997187792419 Energy: 0.8485709592906692 Energy: 0.867982067844136 Energy: 0.8421727042964327 Energy: 0.8881334811152469 Energy: 0.8831897516979285 Energy: 0.8679820678427641 Energy: 0.8421727042978047 Energy: 0.8881334811134177 minimum gb energy = 0.7957377592260202 eV minimum distance = 2.63162330161409 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 0.8572172882456071 Energy: 0.9245132503876248 Energy: 0.9235007205130914 Energy: 0.9243750870943614 Energy: 0.8572172882514537 Energy: 0.9245132503886457 Energy: 0.8993597280065091 Energy: 0.9007615055058461 Energy: 0.8860137322895872 Energy: 0.8689637898146026 Energy: 0.8859749202315018 Energy: 0.9007615055083983 Energy: 0.8860137322933922 Energy: 0.8689637898166443 Energy: 0.8543004787564628 Energy: 0.8805864269958719 Energy: 0.8954775822467719 Energy: 0.8853889229384311 Energy: 0.8543004787658824 Energy: 0.8805864270053377 Energy: 0.8954775822501129 Energy: 0.8186713289849007 Energy: 0.8849871830283528 Energy: 0.8567256453760129 Energy: 0.8753710135975947 Energy: 0.8186713289846688 Energy: 0.884987183026543 Energy: 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0.8487988833214796 Energy: 0.9336203475786041 Energy: 0.8377926417328687 Energy: 0.8412871910843699 Energy: 0.9730782035971205 Energy: 0.8668351967738449 Energy: 0.8377926417300846 Energy: 0.8412871910876643 Energy: 0.973078203594058 Energy: 0.8290355971836498 Energy: 0.8460793859417903 Energy: 0.9136110209619742 Energy: 0.8371365170059176 Energy: 0.8290355971864802 Energy: 0.8460793859331132 Energy: 0.9136110209648047 Energy: 0.8758647373366348 Energy: 0.8348959873636062 Energy: 0.9365181781059438 Energy: 0.892198226860241 Energy: 0.8758647373345932 Energy: 0.8348959873646271 Energy: 0.9365181781115585 Energy: 0.8454690790448004 Energy: 0.8486481545667651 Energy: 0.908689824138467 Energy: 0.8382387908100281 Energy: 0.8454690790432691 Energy: 0.8486481545723797 Energy: 0.9086898241369358 Energy: 0.8348815710074609 Energy: 0.8780726995633555 Energy: 0.8690574377626733 Energy: 0.9354956577323715 Energy: 0.8348815710100129 Energy: 0.8780726995684598 Energy: 0.8690574377598893 Energy: 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0.8330579626590979 Energy: 0.8420358839029696 Energy: 0.8958091186271079 Energy: 0.8318956686068906 Energy: 0.8341809965987849 Energy: 0.8728916665252473 Energy: 0.8863955599121134 Energy: 0.8318956686043386 Energy: 0.8341809965880659 Energy: 0.872891666520375 Energy: 0.8288863528289 Energy: 0.842360941409634 Energy: 0.8845642380374067 Energy: 0.8236263425087882 Energy: 0.8288863528283894 Energy: 0.8423609414147382 Energy: 0.8845642380374067 Energy: 0.8318662367633329 Energy: 0.8683089378908492 Energy: 0.9258831400776579 Energy: 0.8890362685947716 Energy: 0.831866236759528 Energy: 0.8683089378947005 Energy: 0.9258831400817413 Energy: 0.8280868079464795 Energy: 0.8781284182925865 Energy: 0.8819323693977348 Energy: 0.861215755311291 Energy: 0.8280868079546463 Energy: 0.8781284182930971 Energy: 0.8819323693975027 Energy: 0.8765024009198751 Energy: 0.8738568849227908 Energy: 0.9266344094859298 Energy: 0.889045213301458 Energy: 0.8765024009229374 Energy: 0.8738568849284055 Energy: 0.9266344094879714 Energy: 0.8280175651881909 Energy: 0.8480310969065378 Energy: 0.9775091258109121 Energy: 0.8606106091866289 Energy: 0.8280175651902326 Energy: 0.8480310969073267 Energy: 0.9775091258159698 Energy: 0.8420108513866416 Energy: 0.8738998213153818 Energy: 0.9039988295849205 Energy: 0.8898161945114877 Energy: 0.8420108513781965 Energy: 0.8738998213108344 Energy: 0.9039988295879829 Energy: 0.8353259313126212 Energy: 0.8684049189362452 Energy: 1.0183582488590128 Energy: 0.8374082695278928 Energy: 0.8353259313118788 Energy: 0.8684049189387508 Energy: 1.0183582488587344 Energy: 0.8096427927136911 Energy: 0.8765579016860762 Energy: 0.9030452099574953 Energy: 0.8843208014724592 Energy: 0.8096427927208371 Energy: 0.8765579016891387 Energy: 0.9030452099518808 minimum gb energy = 0.8096427927136911 eV minimum distance = 2.61558244945319 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 0.7874637008998556 Energy: 0.7082710615032198 Energy: 0.9238435467871186 Energy: 0.7082710615066722 Energy: 0.7874637008958278 Energy: 0.7082710615066722 Energy: 0.7863867352347185 Energy: 0.7874637008987048 Energy: 0.7082710615060968 Energy: 0.9657754132449257 Energy: 0.7082710615032198 Energy: 0.7874637009010064 Energy: 0.7082710615055214 Energy: 0.7863867352347185 Energy: 0.7874637008992802 Energy: 0.708271061504946 Energy: 0.8797184380914252 Energy: 0.7082710615055214 Energy: 0.7874637008987048 Energy: 0.7082710615032198 Energy: 0.8797184380908498 Energy: 0.7874637008998556 Energy: 0.7082710615032198 Energy: 0.8787521904759541 Energy: 0.7082710615072476 Energy: 0.7874637008964033 Energy: 0.7082710615072476 Energy: 0.7863867352347185 Energy: 0.7874637008987048 Energy: 0.7082710615055214 Energy: 0.9238435467894203 Energy: 0.7082710615026443 Energy: 0.7874637008998556 Energy: 0.7082710615055214 Energy: 0.7863867352347185 Energy: 0.7874637008998556 Energy: 0.7082710615055214 Energy: 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0.7874637009004309 Energy: 0.708271061504946 Energy: 0.7863867352352939 Energy: 0.7874637008992802 Energy: 0.7082710615055214 Energy: 0.8232946250782978 Energy: 0.7082710615055214 Energy: 0.7874637008992802 Energy: 0.7082710615032198 Energy: 0.8232946250777223 Energy: 0.7874637008992802 Energy: 0.7082710615032198 Energy: 0.7863867352370201 Energy: 0.7082710615066722 Energy: 0.7874637008958278 Energy: 0.7082710615066722 Energy: 0.7863867352352939 Energy: 0.7874637008987048 Energy: 0.7082710615066722 Energy: 0.7863867352352939 Energy: 0.7082710615032198 Energy: 0.7874637009004309 Energy: 0.7082710615055214 Energy: 0.7863867352370201 Energy: 0.7874637008992802 Energy: 0.708271061504946 Energy: 0.7863867352352939 Energy: 0.7082710615055214 Energy: 0.7874637008992802 Energy: 0.7082710615032198 Energy: 0.7863867352358692 Energy: 0.7874637008998556 Energy: 0.7082710615032198 Energy: 0.7863867352364446 Energy: 0.7082710615072476 Energy: 0.7874637008964033 Energy: 0.7082710615072476 Energy: 0.7863867352347185 Energy: 0.7874637008981294 Energy: 0.7082710615055214 Energy: 0.7863867352329922 Energy: 0.7082710615026443 Energy: 0.7874637009004309 Energy: 0.708271061504946 Energy: 0.7863867352347185 Energy: 0.7874637008992802 Energy: 0.7082710615055214 Energy: 0.786386735234143 Energy: 0.7082710615055214 Energy: 0.7874637008998556 Energy: 0.7082710615032198 Energy: 0.7863867352375954 Energy: 0.7874637008998556 Energy: 0.7082710615032198 Energy: 0.7863867352358692 Energy: 0.7082710615066722 Energy: 0.7874637008958278 Energy: 0.7082710615066722 Energy: 0.7863867352358692 Energy: 0.7874637008981294 Energy: 0.7082710615066722 Energy: 0.7863867352324168 Energy: 0.7082710615026443 Energy: 0.7874637009004309 Energy: 0.7082710615055214 Energy: 0.7863867352352939 minimum gb energy = 0.7082710615026443 eV minimum distance = 2.72294332022943 Angstroms sigma value = 23