Model name: model_name=MEAM_LAMMPS_AsadiZaeemNouranian_2015_Ni__MO_700541006254_001 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Ni Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.5213917642831802 cohesive_energy=4.450350014520368 mass=58.6934 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=120.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.9905923153806198e-19, 2.8384161247944e-19, 3.48808272811506e-19, 4.0176822144837597e-19, 4.463071296969419e-19, 4.84454955352482e-19, 5.175110636651699e-19, 5.463662648435099e-19, 5.716694404242719e-19, 5.9391085645746e-19, 6.13462217922162e-19, 6.30637551438642e-19, 6.456932052683399e-19, 6.588246449606038e-19, 6.702097121218079e-19, 6.799926026490119e-19, 6.883014906729359e-19, 6.95245324204692e-19, 7.009234381955879e-19, 7.0541754365395795e-19, 7.088061472348679e-19, 7.11153336003678e-19, 7.125231970257479e-19, 7.1296860213e-19, 7.12491153493068e-19, 7.1094985957116e-19, 7.08162072228e-19, 7.03906691088096e-19, 6.979273678900079e-19, 6.89911678190106e-19, 6.794895191859359e-19, 6.662122814199779e-19, 6.4953842918994e-19, 6.288062635459799e-19, 6.032050831112939e-19, 5.71731925312998e-19, 5.331386945532059e-19, 4.85855257730598e-19, 4.2789812017228195e-19, 3.56721423206832e-19, 2.6902948949810996e-19, 1.6049804431094998e-19, 2.5378798317886796e-20, -1.4412588194109418e-19, -3.5915512951387797e-19, -6.36894051194412e-19, -1.005383461777974e-18, -1.51311163491594e-18, -2.2496162117994e-18, -3.3929935448871597e-18, -5.3287433540859595e-18, -8.97712385443272e-18, -1.67919326479638e-17, -3.6084061933284595e-17] Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.02046603085977854 Energy: 0.1745864772988648 Energy: 0.8841411502818313 Energy: 0.8954529177934407 Energy: 0.02558359801068404 Energy: 0.022326487358946195 Energy: 0.17366179933719125 Energy: 0.8784660608933164 Energy: 0.1744280186144475 Energy: 0.024476431493588795 Energy: 0.1738315474405057 Energy: 0.17394784665662155 Energy: 0.17415263819165325 Energy: 0.8668381891825886 Energy: 0.17564308646887913 Energy: 0.17403063754297596 Energy: 0.173960759031551 Energy: 0.1739874060553847 Energy: 0.8599954830982789 Energy: 0.1759765603050075 Energy: 0.17411658762016172 Energy: 0.024799904057052888 Energy: 0.02096761614489058 Energy: 0.17529766402790803 Energy: 0.8658026918712808 Energy: 0.17389592190942318 Energy: 0.023741230271369877 Energy: 0.020944037391102375 Energy: 0.1750841271018417 Energy: 0.8699563728848283 Energy: 0.8770033667119206 Energy: 0.022578556372639 Energy: 0.022036451914304173 Energy: 0.173678006774109 Energy: 0.8831144149301188 Energy: 0.8849929652855499 Energy: 0.021927176904872968 Energy: 0.021231593487868773 Energy: 0.17276535440841911 Energy: 0.8786967725726852 Energy: 0.8750008213467443 Energy: 0.17423331315620447 Energy: 0.17453986502392935 Energy: 0.02243428710426503 Energy: 0.02174271955920529 Energy: 0.8724301720367243 Energy: 0.17481710822149668 Energy: 0.17455786249589622 Energy: 0.023558541687013275 Energy: 0.17278158624062603 Energy: 0.17385825201049482 Energy: 0.8655181800176872 Energy: 0.1752535792289625 Energy: 0.021564509044754196 Energy: 0.021038994009655497 Energy: 0.17403838408840128 Energy: 0.8632665165705316 Energy: 0.17585875768210532 Energy: 0.021977995068873355 Energy: 0.02098296219707579 Energy: 0.02085188682018096 Energy: 0.17505362693471274 Energy: 0.8685980098012024 Energy: 0.1759213698383323 Energy: 0.1751852731790871 Energy: 0.02095094719982749 Energy: 0.17505246279164888 Energy: 0.8755770034354511 Energy: 0.17559958538905668 Energy: 0.17532994241389327 minimum gb energy = 0.02046603085977854 eV minimum distance = 2.45865527356223 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 1.5267869192485004 Energy: 1.5491989429789705 Energy: 1.393625751958212 Energy: 1.3899970489507083 Energy: 1.224464673753841 Energy: 1.432703425058921 Energy: 1.5751553185206097 Energy: 1.385755722848996 Energy: 1.3874546955094447 Energy: 1.7213620402055192 Energy: 1.4400562295438404 Energy: 1.6432282445792934 Energy: 1.5933095929749927 Energy: 1.3249638278175728 Energy: 1.3546973369468591 Energy: 1.3572854009558069 Energy: 1.3918065532462711 Energy: 1.4610868560732446 Energy: 1.3437340131143551 Energy: 1.4928575781584346 Energy: 1.4915123182927867 Energy: 1.6701802860901895 Energy: 1.922931324972263 Energy: 1.4051183807410228 Energy: 1.429780163268752 Energy: 1.3555106586774743 Energy: 1.6106308337790674 Energy: 1.9298310185678416 Energy: 1.48843821534653 Energy: 1.4142825466841498 Energy: 1.5055153773931202 Energy: 1.393258805259706 Energy: 1.609959086591164 Energy: 1.3374373726284232 Energy: 1.4213851941284017 Energy: 1.4025755306769534 Energy: 1.6247104111495383 Energy: 1.6131892988715215 Energy: 1.3404322514356604 Energy: 1.4044423253537444 Energy: 1.5067405873012665 Energy: 1.533601714536698 Energy: 1.5714737643871137 Energy: 1.6183177294048463 Energy: 1.3401984451593079 Energy: 1.6487223602140915 Energy: 1.552699047949256 Energy: 1.6090782241721902 Energy: 1.6053325464990886 Energy: 1.3596431884183002 Energy: 1.455318294574289 Energy: 1.5337635904137592 Energy: 1.4044580107011178 Energy: 1.4434413069838323 Energy: 1.6671490492413497 Energy: 1.4552914911098347 Energy: 1.5374864694763084 Energy: 1.3714027163210816 Energy: 1.8436218435762646 Energy: 1.676620527753935 Energy: 1.4144976381313705 Energy: 1.592993340542694 Energy: 1.6834356346556187 Energy: 1.3346748016131955 Energy: 1.4212057207190225 Energy: 1.514257146231542 Energy: 1.526259372371078 Energy: 1.6723794589189493 Energy: 1.3608159021484652 Energy: 1.5272139672012566 Energy: 1.4077637359405302 Energy: 1.4905557867762158 Energy: 1.597109832465452 Energy: 1.2253706784299607 Energy: 1.4129347498305296 Energy: 1.4087339149419995 Energy: 1.4188262458817293 Energy: 1.4399241842115256 Energy: 1.2252364150490682 Energy: 1.4101168010891207 Energy: 1.4104504778317897 Energy: 1.3535037907957 Energy: 1.4413629541593505 Energy: 1.6811324847332438 Energy: 1.6162019311409257 Energy: 1.4117464763894751 Energy: 1.4338460546820544 Energy: 1.22658631766715 Energy: 1.679338847429025 Energy: 1.6218298503438209 Energy: 1.604786163641735 Energy: 1.435075378937726 Energy: 1.3230740763358948 Energy: 1.3547055075158745 Energy: 1.6029451997801047 Energy: 1.3713965542344468 Energy: 1.4443705063774335 Energy: 1.3283519798809849 Energy: 1.3767478467313783 Energy: 1.6102063536470892 Energy: 1.6505880712187242 Energy: 1.3374946562771899 Energy: 1.4602437496457503 Energy: 1.4705910449215744 Energy: 1.60875669207418 Energy: 1.6427077420242782 Energy: 1.3480876541025455 Energy: 1.4874322217886278 Energy: 1.4622902610303765 Energy: 1.6083488034057367 Energy: 1.620108754228804 Energy: 1.447498852771082 Energy: 1.4334960857183565 Energy: 1.6210268123504097 Energy: 1.4752130481214323 Energy: 1.5789633624157586 Energy: 1.4106944692727732 Energy: 1.5072537116465168 Energy: 1.389895455682845 Energy: 1.5524301646925105 Energy: 1.3600837531302308 Energy: 1.6110671511735495 Energy: 1.635361836529276 Energy: 1.537571888644023 Energy: 1.5343243996398903 Energy: 1.4922272340027785 Energy: 1.5920271179927334 Energy: 1.6679369085994553 Energy: 1.5325125596193274 Energy: 1.624342249397625 Energy: 1.3567643448902702 Energy: 1.3362155875592696 Energy: 1.3892810180736463 Energy: 1.633497561030425 Energy: 1.6029867276538885 Energy: 1.4986740244240435 Energy: 1.4053176379263315 Energy: 1.401276225650963 Energy: 1.6379131914095715 Energy: 1.67051222876296 Energy: 1.4336442997652306 Energy: 1.552140813163402 Energy: 1.3855488600259953 Energy: 1.38722499519591 Energy: 1.675788102113357 Energy: 1.530737372379549 Energy: 1.5525208829701669 Energy: 1.399676668138472 Energy: 1.3997376787818947 Energy: 1.5051764363108064 Energy: 1.2241028849903015 Energy: 1.391463057151992 Energy: 1.4617587566104868 Energy: 1.3362181732703418 Energy: 1.456203040060244 Energy: 2.041432936842399 Energy: 1.4852967599322342 Energy: 1.4520662592391127 Energy: 1.322895218233252 Energy: 1.3615846274117966 Energy: 1.3555953255818494 Energy: 1.6127312067634851 Energy: 1.447277566799192 Energy: 1.4885575034773697 Energy: 1.4101060401317524 Energy: 1.49345539860911 Energy: 1.613221176401409 Energy: 1.4491696793278432 Energy: 1.4192313145445126 Energy: 1.4340366160340154 Energy: 1.343217358927194 Energy: 1.3582896240338862 Energy: 1.6078132298814134 Energy: 1.490527042138328 Energy: 1.264281677689404 Energy: 1.4998263163417493 Energy: 1.3572197968579747 Energy: 1.6137490950018214 Energy: 1.3563818009510222 Energy: 1.2633905631033109 Energy: 1.4951074459625924 Energy: 1.48907191080332 Energy: 1.6099676083068657 Energy: 1.6018976399411187 Energy: 1.3401903900293002 Energy: 1.5036237161434323 Energy: 1.5691659526900739 Energy: 1.636829701228792 Energy: 1.602648940931259 Energy: 1.4296782838911337 Energy: 1.440137759774023 Energy: 1.5314820608406285 Energy: 1.3717480624386056 Energy: 1.4388350462242292 Energy: 1.6762852337123209 Energy: 1.4548070565064337 Energy: 1.5358145470028053 Energy: 1.4056737466609324 Energy: 1.3676772732818898 Energy: 1.6743840996668637 Energy: 1.5165674109463374 Energy: 1.505019514031652 Energy: 1.679018959842385 Energy: 1.329594778593646 Energy: 1.529655380088106 Energy: 1.5197078258503325 Energy: 1.4037928013641345 Energy: 1.68647175032266 Energy: 1.3318773242166766 Energy: 1.4212980184002189 Energy: 1.408215940348768 Energy: 1.4596953963388082 Energy: 1.5971870542166675 Energy: 1.2258107680403445 Energy: 1.4129278592173824 Energy: 1.4093407470254513 Energy: 1.4589549070804495 Energy: 1.445381146809869 Energy: 1.2252515733604556 Energy: 1.408816960254427 Energy: 1.411822015942338 Energy: 1.3532663936084595 Energy: 1.2288867992472388 Energy: 1.4344643227079554 Energy: 1.6884409074604567 Energy: 1.419238527980405 Energy: 1.3523091837095034 Energy: 1.2276576465462752 Energy: 1.6738459135951118 Energy: 1.4760683207963952 Energy: 1.365937192538087 Energy: 1.4420713691267493 Energy: 1.3306516498744265 Energy: 1.3622902140074855 Energy: 1.6095697794132557 Energy: 1.365392614598274 Energy: 1.4387402670776537 Energy: 1.3256974300807225 Energy: 1.5560288460044218 Energy: 1.6031865363100746 Energy: 1.6604287134856757 Energy: 1.3997906744285362 Energy: 1.4831809266636773 Energy: 1.3731096511411853 Energy: 1.606505427513755 Energy: 1.649145231711696 Energy: 1.3758256930458643 Energy: 1.460351017664837 Energy: 1.4640668526716802 Energy: 1.6069562816248149 Energy: 1.6620233705762064 Energy: 1.414667272514234 Energy: 1.5039293415314088 Energy: 1.5833109307405588 Energy: 1.5474791327539437 Energy: 1.601408052695392 Energy: 1.3147944233511073 Energy: 1.4622891538414826 Energy: 1.4739826650717291 Energy: 1.5531137302890121 Energy: 1.4934884451689519 Energy: 1.370172297842028 Energy: 1.6749866842580965 Energy: 1.535159211353879 Energy: 1.5312685526424403 Energy: 1.3478718582721023 Energy: 1.6063194485683499 Energy: 1.5625250771695143 Energy: 1.5306504795245426 Energy: 1.4390020183548373 Energy: 1.4751769133047175 Energy: 1.4611239598728045 Energy: 1.4020871008837241 Energy: 1.639066809518412 Energy: 1.6710486332803716 Energy: 1.3563538445508962 Energy: 1.588837595096531 Energy: 1.3880899131985993 Energy: 1.6348432559985924 Energy: 1.6239929771456354 Energy: 1.5330241817606631 Energy: 1.534157943792136 Energy: 1.4012612415798191 Energy: 1.3984902087759563 Energy: 1.5502789972549245 Energy: 1.4386258100939986 Energy: 1.5512177136498904 Energy: 1.3885196453735325 Energy: 1.3874740421202103 Energy: 1.68530753321717 minimum gb energy = 1.2241028849903015 eV minimum distance = 2.25267614439051 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 2.1557615329924 Energy: 1.3818284605192832 Energy: 1.3612161423966869 Energy: 1.6106629911193298 Energy: 1.4139116922933208 Energy: 2.023755813266739 Energy: 1.3959706236338862 Energy: 1.5780335442565268 Energy: 1.6301473459092115 Energy: 1.4126589073996183 Energy: 1.60859965519953 Energy: 1.5116432965369322 Energy: 1.3815186248240838 Energy: 1.4138938243663215 Energy: 1.375395938038433 Energy: 1.7538321140488289 Energy: 1.4680453042742319 Energy: 1.423923079993137 Energy: 1.4602628649926321 Energy: 1.4554036507492671 Energy: 1.605654902233041 Energy: 1.6440568729079172 Energy: 1.6435751962270115 Energy: 1.435728215697793 Energy: 1.438866058650504 Energy: 1.4116337427887544 Energy: 1.6437814733199914 Energy: 1.6437092655806165 Energy: 1.4634041792726447 Energy: 1.4311960595103792 Energy: 1.463559035086111 Energy: 1.4734043329696769 Energy: 1.4847029710223885 Energy: 1.370070011288028 Energy: 1.417834482827447 Energy: 1.4326903945279186 Energy: 1.3922820352122163 Energy: 1.4269452655646464 Energy: 1.4845988936958499 Energy: 1.4182466099834499 Energy: 1.4922164260726694 Energy: 1.468953398427566 Energy: 1.4603021183494027 Energy: 1.659287572396294 Energy: 1.348000911351858 Energy: 1.453826180385238 Energy: 1.4535728351236281 Energy: 1.4726496710011996 Energy: 1.6116201661445395 Energy: 1.3927848262283973 Energy: 1.3756657447604848 Energy: 1.923608897747465 Energy: 1.4107150443515095 Energy: 1.3933484701332208 Energy: 1.4467048668509375 Energy: 1.3694046229171892 Energy: 1.6852649306609986 Energy: 1.409867214632045 Energy: 1.393422797040862 Energy: 1.4365991545741168 Energy: 1.4118546415056334 Energy: 1.8776790374662593 Energy: 1.4957756307417456 Energy: 1.4214651886191088 Energy: 1.4431325595140094 Energy: 1.4350954353296728 Energy: 1.8881099540906388 Energy: 1.5004959286871842 Energy: 1.4267264789581497 Energy: 1.451641927827383 Energy: 1.4283843696598038 Energy: 1.4782204053878312 Energy: 1.6437638592635286 Energy: 1.6433159551258867 Energy: 1.4704470683529884 Energy: 1.4286317089797973 Energy: 1.47823475646761 Energy: 1.6439204162297452 Energy: 1.64341405593374 Energy: 1.4647516411310215 Energy: 1.4178259176976842 Energy: 1.4348434858578634 Energy: 1.410527470511187 Energy: 1.4728048181903284 Energy: 1.4866354933854231 Energy: 1.4175944994495067 Energy: 1.4077478882542196 Energy: 1.4061543026789345 Energy: 1.4703860164710736 Energy: 1.4916114529092834 Energy: 1.442562120700587 Energy: 1.4440467258865302 Energy: 1.455193870187779 Energy: 1.47115290531151 Energy: 1.6101529853007714 Energy: 1.3898516422773768 Energy: 1.4477882071477315 Energy: 1.4549693581674836 Energy: 1.4701699675285893 Energy: 1.6201114154762808 Energy: 1.4220372259746445 Energy: 1.3837560799924233 Energy: 1.699517392404885 Energy: 1.7771079630218936 Energy: 1.6545779652571544 Energy: 1.436410885560315 Energy: 1.3711873858106791 Energy: 1.7227016502728338 Energy: 1.4137353796336103 Energy: 1.6447311445610056 Energy: 1.45013463570682 Energy: 1.4553670725692633 Energy: 1.7464384663350312 Energy: 1.4743087726493809 Energy: 1.4484481104025995 Energy: 1.452898261273119 Energy: 1.4715752146795484 Energy: 1.4086116743003927 Energy: 1.492589534536929 Energy: 1.4403850743894087 Energy: 1.468005488391653 Energy: 1.4179131044456086 Energy: 1.6017251283346259 Energy: 1.644114545252336 Energy: 1.5425825771520534 Energy: 1.3801178922139559 Energy: 1.4167438026815817 Energy: 1.5770396111004403 Energy: 1.6442212998485919 Energy: 1.5197196957722399 Energy: 1.4253190334842198 Energy: 1.4115474109433066 Energy: 1.4175677612999675 Energy: 1.4668511674870923 Energy: 1.4738139523637357 Energy: 1.4844022908303094 Energy: 1.3875416470833313 Energy: 1.3803846303786689 Energy: 1.402939624289655 Energy: 1.4828121271945163 Energy: 1.6134635453652408 Energy: 1.443822590875011 Energy: 1.7454019967008496 Energy: 1.3968198390928126 Energy: 1.4745369917094895 Energy: 1.6285316628510789 Energy: 1.383455837711218 Energy: 1.6950954499714872 Energy: 1.37855382042847 Energy: 1.663142265724768 Energy: 1.675399213243632 Energy: 1.4348212424742344 Energy: 1.4559818991508304 Energy: 1.723429270978228 Energy: 1.4257626593494468 Energy: 1.6569750886920953 Energy: 1.4262693100492425 Energy: 1.4248639330184802 Energy: 1.6913891160760426 Energy: 1.3916289153302066 Energy: 1.4639439979518925 Energy: 1.4594696672448746 Energy: 1.4560817470197776 Energy: 1.4342891482982048 Energy: 1.6848537169167845 Energy: 1.443236597789173 Energy: 1.4244765890819544 Energy: 1.430562030949489 Energy: 1.3884374990018282 Energy: 1.6897951412753645 Energy: 1.5098250511769742 Energy: 1.4175064643255844 Energy: 1.418016740559086 Energy: 1.5794891866005298 Energy: 1.6437264071712907 Energy: 1.5525765707287082 Energy: 1.41756913462385 Energy: 1.4166334543194652 Energy: 1.5629724040034128 Energy: 1.6438934432069463 Energy: 1.426370644390092 Energy: 1.4825047043127466 Energy: 1.388596160494532 Energy: 1.3966757546191522 Energy: 1.4180237164021157 Energy: 1.4903113473946121 Energy: 1.3990828752957314 Energy: 1.357741746387346 Energy: 1.38825515711963 Energy: 1.415915156197849 Energy: 1.6304264264165387 Energy: 1.643238953984781 Energy: 1.4621836028178468 Energy: 1.7333928548606015 Energy: 1.401086952808273 Energy: 1.6290367862392814 Energy: 1.6291748097299916 Energy: 1.4457685066482229 Energy: 1.891328611941717 Energy: 1.3990476639408411 Energy: 1.4471548730272037 Energy: 1.6779838536298888 Energy: 1.4428087333140722 Energy: 1.4289777965251735 Energy: 1.3688349864786276 Energy: 1.3970619175762997 Energy: 1.4649036062198784 Energy: 1.4501298299523435 Energy: 1.4293968078145156 Energy: 1.4071019829470877 Energy: 1.6437996566853728 Energy: 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minimum distance = 2.19445111823275 Angstroms sigma value = 105 ======================================== theta = 38.572650822227786 ======================================== Energy: 2.1167704731524095 Energy: 1.3878893872281755 Energy: 1.3942136828530043 Energy: 1.3677246178027378 Energy: 1.4156371445869278 Energy: 2.086426647750251 Energy: 1.3718051289205513 Energy: 1.371945902835679 Energy: 1.388231298849237 Energy: 1.4165457720093844 Energy: 1.54192626228188 Energy: 1.3803334000149012 Energy: 1.3800452520297424 Energy: 1.3827906531108236 Energy: 1.3900151665027098 Energy: 1.434566477456967 Energy: 1.3838466812339465 Energy: 1.3907254644343512 Energy: 1.3930663667458483 Energy: 1.3887269849520998 Energy: 1.424774632249805 Energy: 1.5471125794502556 Energy: 1.6392541538561414 Energy: 1.382673861325981 Energy: 1.4059931351368327 Energy: 1.404863786832495 Energy: 1.640027804591527 Energy: 1.6394498318813635 Energy: 1.3928751723076895 Energy: 1.505538923588394 Energy: 1.592668648403634 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======================================== Energy: 1.7569929617967568 Energy: 1.3785127101109376 Energy: 1.4597378585491168 Energy: 1.2956881165075929 Energy: 1.3772160440308823 Energy: 1.7581931959354273 Energy: 1.378013936158437 Energy: 1.3735581645636252 Energy: 1.3867825048529807 Energy: 1.3757016462095837 Energy: 1.4682573248685942 Energy: 1.2935490210021905 Energy: 1.2971980172754394 Energy: 1.2950060181112717 Energy: 1.3783344257631853 Energy: 1.3788025819629475 Energy: 1.2929130282941512 Energy: 1.298196213009621 Energy: 1.2951278778936146 Energy: 1.3779248679257763 Energy: 1.2951662786367664 Energy: 1.2936681101050296 Energy: 1.2978274022366245 Energy: 1.3789872124727958 Energy: 1.370985065378965 Energy: 1.2945662937775355 Energy: 1.2936287828879247 Energy: 1.2981444902854848 Energy: 1.379761532549723 Energy: 1.3723107480175374 Energy: 1.5140796520347624 Energy: 1.3966021344007746 Energy: 1.4552388594342016 Energy: 1.379215750123696 Energy: 1.3728824035786236 Energy: 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1.7243395987081565 Energy: 1.4065251503640084 Energy: 1.3948226958195917 Energy: 1.5420487226492139 Energy: 1.402471137196246 Energy: 1.6490760544796979 Energy: 1.6669577327486342 Energy: 1.5727119260765394 Energy: 1.3955356023344794 Energy: 1.5866408639858993 Energy: 1.836041769802018 Energy: 1.6657012100077682 Energy: 1.5703512492571945 Energy: 1.396096222182519 Energy: 1.5265526985291746 Energy: 1.6592779797678205 Energy: 1.6590839321803734 Energy: 1.617858206504595 Energy: 1.4672921571330508 Energy: 1.543694102731116 Energy: 1.5320823527971636 Energy: 1.6591011788285455 Energy: 1.6037917101104424 Energy: 1.4670187855859285 Energy: 1.539639831055631 Energy: 1.4731541229151905 Energy: 1.5170843819652622 Energy: 2.0377061105898293 Energy: 1.4621302123159545 Energy: 1.4577589205140706 Energy: 1.4693677651761765 Energy: 1.7496358831725778 Energy: 1.8845924387107822 Energy: 1.6175383928307367 Energy: 1.4485910363758423 Energy: 1.4715040421223833 Energy: 1.4058832884935737 Energy: 1.385951761888348 Energy: 1.398682681362561 Energy: 1.4010520951250722 Energy: 1.464243316875365 Energy: 1.6779952795488178 Energy: 1.642500998036635 Energy: 1.4341400086179112 Energy: 1.4506664005726837 Energy: 1.4641833834571365 Energy: 1.531710982979314 Energy: 1.468417643363326 Energy: 1.4723208446277636 Energy: 1.3953287204602676 Energy: 1.4666815895036864 Energy: 1.7410040094238208 Energy: 1.4669791092056863 Energy: 1.4691581423203344 Energy: 1.39471223480147 Energy: 1.5529544950631526 Energy: 1.734622585484601 Energy: 1.5138864300115864 Energy: 1.672273794483046 Energy: 1.7866368945942013 Energy: 1.4677372921215448 Energy: 1.8755162794170392 Energy: 1.5149545437755292 Energy: 1.7609850013886292 Energy: 1.7900805903851666 Energy: 1.7449046227649576 Energy: 1.5720089921880698 Energy: 1.6583639589145698 Energy: 1.6866523112030636 Energy: 1.6986907669396716 Energy: 1.4796965244776334 Energy: 1.5623952413506874 Energy: 1.6586423000576866 Energy: 1.684546243103534 Energy: 1.4132481215479358 Energy: 1.6123947026090542 Energy: 1.5393175259881187 Energy: 1.6581340028050375 Energy: 1.5502795172371813 Energy: 1.3921655182611734 Energy: 1.5397497039769996 Energy: 1.5265671305903392 Energy: 1.6583363090488863 Energy: 1.5216882913298586 Energy: 1.3928792011630857 Energy: 1.5421281233162698 Energy: 1.3959081364958117 Energy: 1.3903214415862144 Energy: 1.5170908236624594 Energy: 1.5717480301185913 Energy: 1.5402417627571074 Energy: 1.3924151516900722 Energy: 1.401334440982003 Energy: 1.5211733630377755 Energy: 1.5673387523457938 Energy: 1.53900296752439 Energy: 1.4007149242283548 Energy: 1.419479466000707 Energy: 1.625087305591645 Energy: 1.390999052228596 Energy: 1.4036185957221587 Energy: 1.4015761374713978 Energy: 1.6937488215779493 Energy: 1.6248078478343502 Energy: 1.3906084562705452 Energy: 1.4046508905513868 Energy: 1.4545441146135656 Energy: 1.5589843999142263 Energy: 1.587481331282371 Energy: 1.565984461285724 Energy: 1.390142782573792 Energy: 1.4550382576033967 Energy: 1.558646267006015 Energy: 1.586609766091385 Energy: 1.5645869855107766 Energy: 1.3891674746897156 Energy: 1.6187846456345518 Energy: 1.8681411120568598 Energy: 1.5279737765511041 Energy: 1.5640473443572103 Energy: 1.8012275833496452 Energy: 1.7229628237868393 Energy: 1.7647793468656143 Energy: 1.5277710122595696 Energy: 1.4788614236468718 Energy: 1.8052185785601604 Energy: 1.6435070197431978 Energy: 1.5605961644631892 Energy: 1.5273174966480063 Energy: 1.699006483120917 Energy: 1.6304602768990781 Energy: 1.6434287093191682 Energy: 1.5646144462671225 Energy: 1.527535463762449 Energy: 1.6952361066539035 Energy: 1.6314665513223698 Energy: 1.3885826958059628 Energy: 1.5654050352372377 Energy: 1.5863996013672645 Energy: 1.556955330696361 Energy: 1.401722131914481 Energy: 1.3894221511069498 Energy: 1.5670767243530568 Energy: 1.5876277551506255 Energy: 1.573740120003308 Energy: 1.4006446967403074 Energy: 1.4094863627399212 Energy: 1.3905977752046725 Energy: 1.5706596254455574 Energy: 1.623304732878579 Energy: 1.4004776241025465 Energy: 1.3955364096259288 Energy: 1.3914347781010457 Energy: 1.5816343860727469 Energy: 1.5584103793857786 Energy: 1.4001899393458652 Energy: 1.5392134507989068 Energy: 1.4045578290829968 Energy: 1.6896888667870653 Energy: 1.5756484786965903 Energy: 1.3909707903825936 Energy: 1.538104536970778 Energy: 1.4054697520155988 Energy: 1.6893398399864237 Energy: 1.5702253747085737 Energy: 1.3964113263604956 Energy: 1.3959771524175475 Energy: 1.3925360096804666 Energy: 1.5526350376374563 Energy: 1.6589894576071083 Energy: 1.402017127220406 Energy: 1.3823272312482742 Energy: 1.3955817635174976 Energy: 1.52439647502936 Energy: 1.6583722864365285 Energy: 1.5948283700930732 Energy: 1.6120732410658551 Energy: 1.4529481141660685 Energy: 1.5405326016199914 Energy: 1.6594058360590425 Energy: 1.5894169782829373 Energy: 1.6148903480756516 Energy: 1.540034372071484 Energy: 1.54331723817147 Energy: 1.65885306588137 Energy: 1.5207841532371729 Energy: 1.747622084502025 Energy: 1.807641507671815 Energy: 1.4671092665292014 Energy: 1.565791084863981 Energy: 2.041300695274336 Energy: 1.7477428395182677 Energy: 1.8025644985076423 Energy: 1.4680669492309923 Energy: 1.5082876623551564 Energy: 2.0515504887372895 Energy: 1.464455295287174 Energy: 1.3952513622458478 Energy: 1.4679755117818523 Energy: 1.4657647561452012 Energy: 1.3911507855748837 Energy: 1.464870110960901 Energy: 1.3952105029658086 Energy: 1.4710888110476348 Energy: 1.4674125473956665 Energy: 1.4688820800788256 Energy: 1.4635901712364205 Energy: 1.4544183225933125 Energy: 1.397184156894059 Energy: 1.5616114870045728 Energy: 1.5589962657071643 Energy: 1.4637929192415224 Energy: 1.4537657939443633 Energy: 1.39788951769702 Energy: 1.4746027453195405 Energy: 1.546518740461638 Energy: 1.469731467292641 Energy: 1.6358109265338439 Energy: 1.6139056177018856 Energy: 1.8707560087480068 Energy: 1.5977662683519764 Energy: 1.4685711223815956 Energy: 1.6401407037413227 Energy: 1.6135636031152707 Energy: 1.8662839269365286 Energy: 1.5510160302355605 Energy: 1.6651562083118023 Energy: 1.70068434055878 Energy: 1.4614178835444318 Energy: 1.608980113747004 Energy: 1.6583338517150785 Energy: 1.6915138002821986 Energy: 1.7468634899114588 Energy: 1.462900917180895 Energy: 1.4905306154771176 Energy: 1.6585883484377224 Energy: 1.660014810147192 Energy: 1.5267461613079234 Energy: 1.3957878582304466 Energy: 1.5696638529021603 Energy: 1.6676265774715935 Energy: 1.8381487912140073 Energy: 1.5808010996668334 Energy: 1.3967129254730613 Energy: 1.5707753190288132 Energy: 1.669471420643218 Energy: 1.7557550149166539 Energy: 1.4035331635644668 Energy: 1.5431004271755053 Energy: 1.396008909860009 Energy: 1.4024855232150657 Energy: 1.7546429992733092 Energy: 1.4018720452465672 Energy: 1.5405322082578567 Energy: 1.3966114333475965 Energy: 1.510551403786517 minimum gb energy = 1.3823272312482742 eV minimum distance = 2.21109587819439 Angstroms sigma value = 293 ======================================== theta = 91.16938280561406 ======================================== Energy: 1.900614072640363 Energy: 1.4206652452960968 Energy: 1.5492466364064574 Energy: 1.4225661527480895 Energy: 1.4474151260176504 Energy: 1.9016014898714064 Energy: 1.6264303924085863 Energy: 1.5484859902725912 Energy: 1.4245876934265171 Energy: 1.5788354513988911 Energy: 1.6069374090791857 Energy: 1.5070197003234294 Energy: 1.378451549264639 Energy: 1.4233890120573718 Energy: 1.5571478590119507 Energy: 1.51110275629892 Energy: 1.5007749053640436 Energy: 1.3769308606767166 Energy: 1.4245670206257308 Energy: 1.5724160785959058 Energy: 1.5312566936702992 Energy: 1.577227387944837 Energy: 1.3810177895022502 Energy: 1.5023697183672877 Energy: 1.6162049154721048 Energy: 1.5320599786158686 Energy: 1.5757172927456733 Energy: 1.380334645290396 Energy: 1.5179660342814498 Energy: 1.615874532929682 Energy: 1.5169730003890667 Energy: 1.539947444268815 Energy: 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1.3746995001617552 Energy: 1.6693181627556166 Energy: 1.5022329626033082 Energy: 1.5115710945236653 Energy: 1.534062919491968 Energy: 1.3765467595979572 Energy: 1.4698574994180913 Energy: 1.5381953012385758 Energy: 1.5127057068089527 Energy: 1.3817204862388832 Energy: 1.9880299727344508 Energy: 1.4691098824969744 Energy: 1.3929434052819172 Energy: 1.4658608481749498 Energy: 1.6784294749736226 Energy: 1.4943546169728346 Energy: 1.4577017983237799 Energy: 1.3928733212970312 Energy: 1.4659131552027285 Energy: 1.3773218360831225 Energy: 1.4941305592726333 Energy: 1.4543319799038539 Energy: 1.4652102518527632 Energy: 1.478021021326364 Energy: 1.502358758724956 Energy: 1.7425846222474608 Energy: 1.5534418207046123 Energy: 1.455782815948688 Energy: 1.4768568910879718 Energy: 1.5027769081532532 Energy: 1.740300670442729 Energy: 1.4654723780080978 Energy: 1.502940822461392 Energy: 1.5021009115487716 Energy: 1.500345811768903 Energy: 1.5067821206636387 Energy: 1.5343228023009263 Energy: 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1.4003481705427545 Energy: 1.3862043033893308 Energy: 1.383674017978926 Energy: 1.494509931080779 Energy: 1.4728908265576546 Energy: 1.3879913259590617 Energy: 1.391551644540339 Energy: 1.384851242542515 Energy: 1.5232817558997822 Energy: 1.516634737095463 Energy: 1.530193288792949 Energy: 1.4174937085502257 Energy: 1.4857690130202075 Energy: 1.51890075739263 Energy: 1.5164929575223591 Energy: 1.521403607351625 Energy: 1.4183426491598385 Energy: 1.5432876033798895 Energy: 1.3834065029903835 Energy: 1.3872643017072264 Energy: 1.3861301766995786 Energy: 1.616441379349853 Energy: 1.6940875406119227 Energy: 1.3737335856172868 Energy: 1.3932183332597368 Energy: 1.49100726709598 Energy: 1.6202285742203544 Energy: 1.6739022641533863 Energy: 1.3847655382299753 Energy: 1.383969469622345 Energy: 1.3849332956364324 Energy: 1.549610622037469 Energy: 1.4603258838156619 Energy: 1.392157992213461 Energy: 1.3907909139659178 Energy: 1.3917150527688043 Energy: 1.4661160743932824 Energy: 1.57776319708486 Energy: 1.3870381114312897 Energy: 1.3766379001166642 Energy: 1.4957818416140378 Energy: 1.4951308652104096 Energy: 1.3914155839476021 Energy: 1.3953455435195756 Energy: 1.3905587309862657 Energy: 1.4954728356060938 Energy: 1.7721511796473608 Energy: 1.5775827934616589 Energy: 1.413806463961625 Energy: 1.5101760139733988 Energy: 1.4653062849702863 Energy: 1.4322544667824357 Energy: 1.421695080976472 Energy: 1.3827942867575371 Energy: 1.4659498290924222 Energy: 1.4650255432257633 Energy: 1.4336710369021501 Energy: 1.572005565595469 minimum gb energy = 1.3737335856172868 eV minimum distance = 2.27927527556614 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 1.714361489377027 Energy: 1.4872556381410245 Energy: 1.6792495947108372 Energy: 1.5949517453897117 Energy: 1.5156686170159988 Energy: 1.7161598523295603 Energy: 1.6814954201412784 Energy: 1.5953421228014817 Energy: 1.5935137733937983 Energy: 1.4701138564492975 Energy: 1.5182537411980908 Energy: 1.627403522577831 Energy: 1.5063608703641758 Energy: 1.5069571534752406 Energy: 1.6586055034787253 Energy: 1.5101955067272865 Energy: 1.7232419713230387 Energy: 1.506617577445684 Energy: 1.590613659708444 Energy: 1.6614748104210457 Energy: 1.4799619676493723 Energy: 1.5146174843747782 Energy: 1.6892404454233683 Energy: 1.5006085186740221 Energy: 1.4363712743004766 Energy: 1.524185942646025 Energy: 1.5137005916942836 Energy: 1.6900409498770057 Energy: 1.5107805762300945 Energy: 1.437285121940889 Energy: 1.5032676698674732 Energy: 1.4276802525760985 Energy: 1.6137792480914483 Energy: 1.438914278840051 Energy: 1.4364886717280603 Energy: 1.5038791972616394 Energy: 1.493049912133258 Energy: 1.6142433800906784 Energy: 1.4385781490385627 Energy: 1.4360735187928968 Energy: 1.4398379873606817 Energy: 1.6301769002685516 Energy: 1.6447425378660778 Energy: 1.4865368125877705 Energy: 1.5066185893604314 Energy: 1.4387437185054888 Energy: 1.6133115162110072 Energy: 1.6442653790789814 Energy: 1.4870755455793128 Energy: 1.8839111346911923 Energy: 1.3666553222179134 Energy: 1.4061209863593573 Energy: 1.4418064559774042 Energy: 1.4493542181780352 Energy: 1.7189020913060378 Energy: 1.368663795056524 Energy: 1.4054692735281649 Energy: 1.4432413178026045 Energy: 1.447464087493009 Energy: 1.7184751383333754 Energy: 1.5131872324967244 Energy: 1.480717805135409 Energy: 1.4393742206116305 Energy: 1.440612661976608 Energy: 1.5896258898626563 Energy: 1.5121677141225855 Energy: 1.4746859889624924 Energy: 1.4439856695339195 Energy: 1.447699869041975 Energy: 1.603729214337502 Energy: 1.513440847233656 Energy: 1.443509187644447 Energy: 1.519291050346955 Energy: 1.614684341682536 Energy: 1.7157676754621156 Energy: 1.5136301004275228 Energy: 1.4423062297240932 Energy: 1.5140497724079423 Energy: 1.621404712366904 Energy: 1.5892127816987571 Energy: 1.5451751847454918 Energy: 1.6109737894084981 Energy: 1.3830411764449981 Energy: 1.707349056424204 Energy: 1.4995700039081463 Energy: 1.5446090348372494 Energy: 1.6111397651607147 Energy: 1.3830847976721146 Energy: 1.6170081739478581 Energy: 1.4261158819477717 Energy: 1.6452578138994993 Energy: 1.6110610832857728 Energy: 1.3805502661858684 Energy: 1.8558834006472795 Energy: 1.6211449972017278 Energy: 1.5935045448826393 Energy: 1.6106476973931014 Energy: 1.3806169762353546 Energy: 1.7205669731966953 Energy: 1.383613999128356 Energy: 1.3775605889728297 Energy: 1.3813188845409294 Energy: 1.38354458572047 Energy: 1.7277697025481988 Energy: 1.6395507926268404 Energy: 1.376638241646743 Energy: 1.3826283973595037 Energy: 1.3857156500514314 Energy: 1.7242109322211092 Energy: 1.4264619847124584 Energy: 1.3779087694502161 Energy: 1.3819531313396316 Energy: 1.3802837460534165 Energy: 1.3769187706026325 Energy: 1.3786771814496144 Energy: 1.3754260382678993 Energy: 1.3806979422287067 Energy: 1.3805615594755674 Energy: 1.387734538698105 Energy: 1.3775251580595367 Energy: 1.377185949882005 Energy: 1.3785160463176158 Energy: 1.6117535625901973 Energy: 1.6129635637380189 Energy: 1.385082552250167 Energy: 1.3757476096730266 Energy: 1.5140185880556885 Energy: 1.6144191209784258 Energy: 1.7090583877929224 Energy: 1.3846498660158733 Energy: 1.5070403757729596 Energy: 1.7259932451391482 Energy: 1.7471818750455859 Energy: 1.3772937928221352 Energy: 1.6476861666089015 Energy: 1.5076323839094499 Energy: 1.7278835973993547 Energy: 1.7486655401254794 Energy: 1.3783881290895552 Energy: 1.360810584862242 minimum gb energy = 1.360810584862242 eV minimum distance = 2.20665767725535 Angstroms sigma value = 33