Model name: model_name=EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Fe Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.56200759857893 cohesive_energy=4.399993240679222 mass=55.845 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=[9.48533428273752e-20, 2.6078629071617996e-19, 3.6620791105674603e-19, 4.2384781764152996e-19, 4.57442257303242e-19, 4.84621581722418e-19, 5.1193548897885e-19, 5.405904180779399e-19, 5.68048521231432e-19, 5.926899978623519e-19, 6.140261840973299e-19, 6.32151608357772e-19, 6.47252123133222e-19, 6.5959208756829e-19, 6.6972585477834e-19, 6.78180540875958e-19, 6.8520288106278e-19, 6.909482864723041e-19, 6.955481355885179e-19, 6.99116182952436e-19, 7.01753365692e-19, 7.03546201345446e-19, 7.0457319656784e-19, 7.0490164277781e-19, 7.045507660949639e-19, 7.03341122736294e-19, 7.00643057284638e-19, 6.95594598710904e-19, 6.871655474394299e-19, 6.741302383452059e-19, 6.55027486338024e-19, 6.28112521063458e-19, 5.91557258982114e-19, 5.43589692736788e-19, 4.824506323833479e-19, 4.06142163659196e-19, 3.12297871675914e-19, 1.98057871141812e-19, 5.8855157561673e-20, -1.124689544828784e-19, -3.2562317474089195e-19, -5.9527591094962795e-19, -9.465611488372978e-19, -1.413727016132286e-18, -2.0395067680166397e-18, -2.8771727775708595e-18, -3.98903529626784e-18, -5.43870073647738e-18, -7.29908415681282e-18, -9.749677405581179e-18, -1.3257306688631038e-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: 0.019773565057523465 Energy: 0.10490451904052692 Energy: 0.10511617698263169 Energy: 0.10500400003896958 Energy: 0.023531970049837213 Energy: 0.02104701916351898 Energy: 0.10476662514631249 Energy: 0.10608408439851436 Energy: 0.105542511155667 Energy: 0.02288487384657092 Energy: 0.10553470787053926 Energy: 0.4382221487219705 Energy: 0.10539231969000958 Energy: 0.438519911921262 Energy: 0.10564988322693608 Energy: 0.1050771688432374 Energy: 0.4383025886085411 Energy: 0.10537787481965508 Energy: 0.4383438734738672 Energy: 0.1049759612349117 Energy: 0.1061737737281538 Energy: 0.023145664018999326 Energy: 0.02012780691892491 Energy: 0.10465654199411586 Energy: 0.10471449540660824 Energy: 0.10618978058301129 Energy: 0.024939286289996254 Energy: 0.02036475257738612 Energy: 0.10462522961885294 Energy: 0.105414388805596 Energy: 0.10530822235631446 Energy: 0.021427916362092594 Energy: 0.02108993934189952 Energy: 0.42980682938496584 Energy: 0.10477515972887914 Energy: 0.10571042671499703 Energy: 0.021639422023201637 Energy: 0.02069089735612445 Energy: 0.43904351606545705 Energy: 0.10439958910791071 Energy: 0.10540931706388705 Energy: 0.10526292764437173 Energy: 0.10442358188770713 Energy: 0.02162635903482806 Energy: 0.020437401191438696 Energy: 0.10485575400515149 Energy: 0.1049445207735326 Energy: 0.10464468791065742 Energy: 0.02242372042813187 Energy: 0.4375481137488295 Energy: 0.10527783528208126 Energy: 0.10464626122909561 Energy: 0.10506793818395811 Energy: 0.020703750170371446 Energy: 0.02433144361211173 Energy: 0.439910265413038 Energy: 0.10451337411309011 Energy: 0.10510216561751713 Energy: 0.021220921937648685 Energy: 0.025284158182139766 Energy: 0.024466201128915708 Energy: 0.4414495151615551 Energy: 0.10535758323501071 Energy: 0.10635234893112969 Energy: 0.4378642673950873 Energy: 0.02468834361989382 Energy: 0.44270357734112503 Energy: 0.10478827235550628 Energy: 0.10572389590499778 Energy: 0.10442109971262012 minimum gb energy = 0.019773565057523465 eV minimum distance = 2.48663874541213 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 1.8768075935318014 Energy: 1.304975426496851 Energy: 1.296377330752447 Energy: 1.2239536419679615 Energy: 1.3067485475166114 Energy: 1.313176264099058 Energy: 1.3307802014071952 Energy: 1.2821937636662533 Energy: 1.2237898563513252 Energy: 1.3792401376461914 Energy: 1.4151476536889749 Energy: 1.580539992509711 Energy: 1.2917297550527937 Energy: 1.3731645571069335 Energy: 1.1637434698367608 Energy: 1.2130058158282075 Energy: 1.528469808262691 Energy: 1.2903974154043725 Energy: 1.4143599188611389 Energy: 1.297299635655792 Energy: 1.2706618791636477 Energy: 1.467676106995963 Energy: 1.4062876848634294 Energy: 1.2499621095503792 Energy: 1.0711451338698823 Energy: 1.0707424590417063 Energy: 1.448040180844534 Energy: 1.4077867013721328 Energy: 1.0595065493087978 Energy: 1.3172086007866537 Energy: 1.2558415119424038 Energy: 1.4270447783797973 Energy: 1.3997618525649378 Energy: 1.127210888165095 Energy: 1.0825789934773824 Energy: 1.4675447881009989 Energy: 1.4037526873404105 Energy: 1.5700385557911924 Energy: 1.2124257980770223 Energy: 1.2742636062358994 Energy: 1.5738113036027144 Energy: 1.4137375510232393 Energy: 1.4481726852140835 Energy: 1.4113819411840474 Energy: 1.285150194853439 Energy: 1.556079989241358 Energy: 1.464901076845722 Energy: 1.3404124017556833 Energy: 1.0138237101898186 Energy: 1.2649688171154647 Energy: 1.4498086653000954 Energy: 1.532737201475446 Energy: 1.3418081867854572 Energy: 1.3261599883123405 Energy: 1.2911918446192943 Energy: 1.420760285467803 Energy: 1.4031900874515884 Energy: 1.3165563043292632 Energy: 1.007846848169077 Energy: 1.2898085618567978 Energy: 1.5305251073915047 Energy: 1.5658592009105794 Energy: 1.589968641386204 Energy: 1.1051526861722065 Energy: 1.4289309955904312 Energy: 1.4959182887857254 Energy: 1.52021886290533 Energy: 1.399601608150958 Energy: 1.0131258944536485 Energy: 1.587781713803274 Energy: 1.5147400958468538 Energy: 1.33869281025484 Energy: 1.4109046418071474 Energy: 1.384827650872389 Energy: 1.3301347597583202 Energy: 1.5095855260153692 Energy: 1.3569363166232538 Energy: 1.295344647806207 Energy: 1.3967282258135736 Energy: 1.3196420153488435 Energy: 1.4339340076994922 Energy: 1.425606851449581 Energy: 0.9216620875139625 Energy: 1.6062119448485317 Energy: 1.4183601943982838 Energy: 1.4551367659298293 Energy: 1.4038918799893498 Energy: 1.3055744367455537 Energy: 1.6480230154231108 Energy: 1.3890675879561247 Energy: 1.4602191864205987 Energy: 1.0949823557547362 Energy: 1.0293145885424673 Energy: 1.1549606898507088 Energy: 1.23503069945968 Energy: 1.2444946363485114 Energy: 1.0345708676346201 Energy: 1.0272570826225924 Energy: 1.1790786875065238 Energy: 1.0980334322077565 Energy: 1.4348597532960001 Energy: 1.0539224805981129 Energy: 1.0959664133824376 Energy: 1.434805480640705 Energy: 1.2602430749556728 Energy: 1.3870166978747447 Energy: 1.0249045245572863 Energy: 1.0869402489229054 Energy: 1.4294727437282462 Energy: 1.2763843996508228 Energy: 1.4085642110723213 Energy: 1.1980680536916255 Energy: 1.3702751685371823 Energy: 1.543906956716837 Energy: 1.4823667424119595 Energy: 1.3918340355125212 Energy: 0.9381776866063659 Energy: 1.2440227062319762 Energy: 1.5708167102322084 Energy: 1.5032779908641432 Energy: 1.3926349245187981 Energy: 1.1190406464361833 Energy: 1.4748785365522572 Energy: 1.374085394412302 Energy: 1.355220619477472 Energy: 1.3843701671228772 Energy: 1.398713120536715 Energy: 1.4567350134002788 Energy: 1.5237661593715979 Energy: 1.4346681732028952 Energy: 1.1803563856008583 Energy: 1.4301189164855592 Energy: 1.4937837642592078 Energy: 1.5051504314099537 Energy: 1.511924605723787 Energy: 1.0471998435135124 Energy: 1.4508749576731423 Energy: 1.361953528366394 Energy: 1.5159039839153858 Energy: 1.60832251312122 Energy: 1.7479686832031958 Energy: 1.386170446963834 Energy: 1.3263154383672553 Energy: 1.3108436615088819 Energy: 1.3657980857470335 Energy: 1.3968912305328343 Energy: 1.4135529573089889 Energy: 1.3181747150622767 Energy: 1.3182651348406274 Energy: 1.4204466454429754 Energy: 1.3782609291810468 Energy: 1.5528853670342833 Energy: 1.4500512381778554 Energy: 1.4347633114042935 Energy: 1.438817555069972 Energy: 1.3794959384879988 Energy: 1.4428685372445902 Energy: 1.3972412796518026 Energy: 1.426958911345892 Energy: 1.3924129232849267 Energy: 1.186368514124986 Energy: 1.438982414741303 Energy: 1.3985658587323 Energy: 1.2728736700775403 Energy: 1.1308520498350283 Energy: 1.179947464161067 Energy: 1.4351986822057703 Energy: 1.4523519864616612 Energy: 1.0941166151235149 Energy: 1.113734152495071 Energy: 1.241777516408846 Energy: 1.4288449916560761 Energy: 1.5563401393039333 Energy: 1.264459113435443 Energy: 1.098928470013907 Energy: 1.2418194619416913 Energy: 1.3573511683646322 Energy: 1.5792908139794497 Energy: 1.1982306407946828 Energy: 1.0975991058187717 Energy: 1.5171174967202257 Energy: 1.4685364138057484 Energy: 1.46096292716803 Energy: 1.316588063747936 Energy: 1.3537627465877498 Energy: 1.4503729969634256 Energy: 1.4716026874694634 Energy: 1.4715133148928865 Energy: 0.9238134071290847 Energy: 1.3440917927768785 Energy: 1.3903519155800799 Energy: 1.5301739030286303 Energy: 1.3459556794997025 Energy: 1.013888543085345 Energy: 1.3130451037109014 Energy: 1.3305864911723142 Energy: 1.5348614707441581 Energy: 1.396905046403557 Energy: 1.4393379831171702 Energy: 1.3606378707044706 Energy: 1.524745762317211 Energy: 1.4472264879914434 Energy: 1.3895339536607072 Energy: 1.3219794232877196 Energy: 1.5747727008702206 Energy: 1.5361625942598978 Energy: 1.5436563275355424 Energy: 1.3936269441106983 Energy: 1.1025046106960632 Energy: 1.5945223472678685 Energy: 1.488869193929755 Energy: 1.3369201938746063 Energy: 1.4205259795823528 Energy: 1.39017059285733 Energy: 1.365486018857822 Energy: 1.510861595551286 Energy: 1.3427072935112416 Energy: 1.423036007768507 Energy: 1.406072382882801 Energy: 1.3358913626140345 Energy: 1.450475512297811 Energy: 1.394738472519934 Energy: 1.31508885546905 Energy: 1.670106846103637 Energy: 1.4599662897452605 Energy: 1.4211783496700578 Energy: 1.4140641414542447 Energy: 1.15754768633578 Energy: 1.647268072120539 Energy: 1.4562256659188846 Energy: 1.4394209161247171 Energy: 1.0327055366223516 Energy: 1.0159259805966026 Energy: 1.2121054062134375 Energy: 1.0673400257698076 Energy: 1.2346419990874757 Energy: 1.0498883987951853 Energy: 1.042790434133294 Energy: 1.2678047465545195 Energy: 1.0902968489516154 Energy: 1.3183395440640406 Energy: 1.0922407526248992 Energy: 1.0947257491621942 Energy: 1.183723214581223 Energy: 1.2920771822423343 Energy: 1.4276297635261708 Energy: 1.2105484685460979 Energy: 1.0855711419761864 Energy: 1.4160494169241595 Energy: 1.0674183019327446 Energy: 1.4562851345831211 Energy: 1.168878881566456 Energy: 1.2230180627705503 Energy: 1.5670078441082076 Energy: 1.3797794668819459 Energy: 1.5157444763420413 Energy: 1.1511172838043657 Energy: 1.3755079009847746 Energy: 1.5422504693297912 Energy: 1.4631426398214107 Energy: 1.4517617196223636 Energy: 1.4423800337071184 Energy: 1.3013868230263697 Energy: 1.4913164854487737 Energy: 1.338433903431028 Energy: 1.2825443250701758 Energy: 1.353176783831804 Energy: 1.2776986772113281 Energy: 1.4879351378905104 Energy: 1.4446429791516495 Energy: 1.250065068282098 Energy: 1.2689045905699714 Energy: 1.5815398056210672 Energy: 1.3805826463385078 Energy: 1.5585822692291436 Energy: 1.0565637558428596 Energy: 1.362209286549019 Energy: 1.4549440543530345 Energy: 1.3573270371209356 Energy: 1.220103420835735 Energy: 1.5051229541179072 Energy: 1.3011719213452702 Energy: 1.238601984162361 Energy: 1.2401825266529927 Energy: 1.2380369818605055 Energy: 1.5522803735124393 Energy: 1.2953101934876812 Energy: 1.4044992341321452 Energy: 1.2108717095721468 Energy: 1.296601034029308 minimum gb energy = 0.9216620875139625 eV minimum distance = 2.31805568085998 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 2.6379812835631427 Energy: 1.159152432020235 Energy: 1.1544037914395633 Energy: 1.5131652625602472 Energy: 1.4941968500996547 Energy: 1.1654287239640775 Energy: 1.1559720279561905 Energy: 1.15624018728851 Energy: 1.5142690293986767 Energy: 1.409914459922808 Energy: 1.1675165702912864 Energy: 1.277931532741383 Energy: 1.1503849475540162 Energy: 1.1521204520746493 Energy: 1.1675039483290146 Energy: 1.2823902719209275 Energy: 1.565986977943612 Energy: 1.1608234914180107 Energy: 1.162922860334283 Energy: 1.246899681170667 Energy: 1.3281099003851362 Energy: 1.655430095659283 Energy: 1.8394084921533969 Energy: 1.247363096232731 Energy: 1.3607872824309402 Energy: 1.2753186470943063 Energy: 1.7221802967107442 Energy: 1.208489781367562 Energy: 1.2877055865625975 Energy: 1.1356656449551628 Energy: 1.2958763321156739 Energy: 1.1881658225870126 Energy: 1.3357906179939043 Energy: 1.2655700566234465 Energy: 1.3915030443099903 Energy: 1.3011659755677285 Energy: 1.20315703212835 Energy: 1.222507493674025 Energy: 1.3009899069784074 Energy: 1.3987222043669139 Energy: 1.2257131030751796 Energy: 1.1441545149099976 Energy: 1.2082841252851395 Energy: 1.5362270372377869 Energy: 1.179580149394454 Energy: 1.185458005082217 Energy: 1.1450717059092974 Energy: 1.207163269563797 Energy: 1.557868886986527 Energy: 1.2150661658910609 Energy: 1.176606403201771 Energy: 1.210271660568095 Energy: 1.1506934729704645 Energy: 1.1879729590741217 Energy: 1.531834236750289 Energy: 1.166513969716117 Energy: 1.5442812862385356 Energy: 1.208912555107161 Energy: 1.194205540523914 Energy: 1.568797643944851 Energy: 1.2378322670809556 Energy: 1.325200016504386 Energy: 1.178779469896585 Energy: 1.153857863653392 Energy: 1.2136023673429936 Energy: 1.1819642662250833 Energy: 1.3435027433970286 Energy: 1.1774231313662054 Energy: 1.209315658353014 Energy: 1.2371198664937142 Energy: 1.3997642546365265 Energy: 1.387263857663417 Energy: 1.8381539815799415 Energy: 1.8374153026013906 Energy: 1.3213775236883658 Energy: 1.2184159136715227 Energy: 1.3247404412592203 Energy: 1.838694187572774 Energy: 1.4932594750126371 Energy: 1.2573381823721614 Energy: 1.141912309220475 Energy: 1.2747724766575832 Energy: 1.1714212578309902 Energy: 1.2552881404604168 Energy: 1.3029969073822099 Energy: 1.412748791429367 Energy: 1.3636590289929333 Energy: 1.2068145380871484 Energy: 1.2300426551023194 Energy: 1.2507541806174787 Energy: 1.2136060863335731 Energy: 1.256834256244713 Energy: 1.1551856934030496 Energy: 1.1912200486556876 Energy: 1.6822519982388497 Energy: 1.2063188795850794 Energy: 1.2304692596144668 Energy: 1.2274520052832392 Energy: 1.4938013677715047 Energy: 1.2124291232441384 Energy: 1.2133130318275631 Energy: 1.187606721155879 Energy: 1.579779450731401 Energy: 1.1923792181745074 Energy: 1.247505578406025 Energy: 1.201408245580352 Energy: 1.1899301516764462 Energy: 1.5718841173403906 Energy: 1.221445500215858 Energy: 1.242524096299484 Energy: 1.2320535656196159 Energy: 1.1804062559124326 Energy: 1.3326064576093741 Energy: 1.1917266948171654 Energy: 1.1977923607508945 Energy: 1.2275060732173007 Energy: 1.2117523671902048 Energy: 1.320826718333175 Energy: 1.4871914568884606 Energy: 1.2622000319657933 Energy: 1.3378425999784946 Energy: 1.3878707420411913 Energy: 1.3555491089293734 Energy: 1.8371507472639286 Energy: 1.2993724593067488 Energy: 1.2923692881043398 Energy: 1.2248360381313785 Energy: 1.385504359300931 Energy: 1.837219940735691 Energy: 1.3448251268371583 Energy: 1.1887845856998402 Energy: 1.2627591690405744 Energy: 1.383461162503276 Energy: 1.1967501440540467 Energy: 1.216894613331716 Energy: 1.25180803171273 Energy: 1.2221173209423426 Energy: 1.3715238213452872 Energy: 1.1951407022858396 Energy: 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1.027910134672602 Energy: 0.9318919056455266 Energy: 0.8763914485378395 Energy: 0.8777420336364884 Energy: 0.8956576015647779 Energy: 0.9466981268660452 Energy: 0.9109533166730283 Energy: 0.8632882241108796 Energy: 0.8647041529653773 Energy: 0.9065393225787814 Energy: 0.9033509942179404 Energy: 0.8723377988930376 Energy: 0.8485560259637025 Energy: 0.8683705698553547 Energy: 0.8840064678285449 Energy: 0.8931546515713786 Energy: 0.8839118101016894 Energy: 0.8661753111261086 Energy: 0.8650057232135369 Energy: 0.9529705589344344 Energy: 0.8721039446267477 Energy: 0.9091255403454301 Energy: 0.8876590390518534 Energy: 0.9269725122270331 Energy: 1.115722537955507 Energy: 0.8633909755792155 Energy: 0.995352716288273 Energy: 0.9055625713546704 Energy: 0.9399209296393347 minimum gb energy = 0.8308628365741875 eV minimum distance = 2.30477444330023 Angstroms sigma value = 219 ======================================== theta = 78.46304096718453 ======================================== Energy: 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======================================== theta = 91.16938280561406 ======================================== Energy: 2.0126395034444546 Energy: 1.4555535266409625 Energy: 1.454738052497631 Energy: 1.5109318501043396 Energy: 1.445997393652285 Energy: 2.013673478323483 Energy: 1.4184264896924719 Energy: 1.4540958313195795 Energy: 1.3946994268054398 Energy: 1.4380270319590316 Energy: 1.37768753330445 Energy: 1.3461364412978174 Energy: 1.323425077135004 Energy: 1.3940685741675367 Energy: 1.4949683415120971 Energy: 1.4501984913275512 Energy: 1.32749904443767 Energy: 1.32483579865067 Energy: 1.3949198096673108 Energy: 1.3904318370515045 Energy: 1.4487692648089834 Energy: 1.5021564717715439 Energy: 1.347489609694391 Energy: 1.422365014081128 Energy: 1.4299324164625407 Energy: 1.3892675255653848 Energy: 1.5292599258414268 Energy: 1.3278372710135171 Energy: 1.4223065304936666 Energy: 1.4272592628489122 Energy: 1.3320527963816238 Energy: 1.620838576049947 Energy: 1.4650227510694662 Energy: 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1.397051681714603 Energy: 1.374408887893547 Energy: 1.458604344353805 Energy: 1.449945773095174 Energy: 1.4206007550130877 Energy: 1.3753392609887714 Energy: 1.3903810760176851 Energy: 1.3860525500531808 Energy: 1.4492843822779622 Energy: 1.4201981588433075 Energy: 1.3761356554897208 Energy: 1.429409353248975 Energy: 1.3260141535189733 Energy: 1.3972919384917062 Energy: 1.48546388979108 Energy: 1.2873017821801702 Energy: 1.4069729885928823 Energy: 1.3273612694994164 Energy: 1.3941574044008218 Energy: 1.5439049650571954 Energy: 1.336426219197473 Energy: 1.3894771642664676 Energy: 1.3261095817784034 Energy: 1.3272791045476955 Energy: 1.431988598206219 Energy: 1.3968999470846488 Energy: 1.392206049525225 Energy: 1.3254264978138441 Energy: 1.3271794724462131 Energy: 1.5418683307122703 Energy: 1.4957630890334928 Energy: 1.5112690073188253 Energy: 1.4545227730394144 Energy: 1.3968310868119238 Energy: 1.3151039903207566 Energy: 1.3636210377563378 Energy: 1.5153438289399348 Energy: 1.4541750553940649 Energy: 1.4293135993982888 Energy: 2.4625724070446484 Energy: 1.363874492463031 Energy: 1.3889829940031677 Energy: 1.3829203975171263 Energy: 1.3281240989959084 Energy: 1.3970873267709771 Energy: 1.4590386291300599 Energy: 1.381960201524821 Energy: 1.3801178265658551 Energy: 1.3279165967158815 Energy: 1.3823278948417286 Energy: 1.4594526017502092 Energy: 1.3911129213581637 Energy: 1.4353158766392582 Energy: 1.4392634307141694 Energy: 1.3974206998298022 Energy: 1.6157701338804469 Energy: 1.3887561085720503 Energy: 1.4967233751839868 Energy: 1.4377597090736733 Energy: 1.386005220137385 Energy: 1.6161022449091502 Energy: 1.2978570142967283 Energy: 1.388568176688128 Energy: 1.3861422094733167 Energy: 1.3272897816301512 Energy: 1.4687452847596276 Energy: 1.3368075798727532 Energy: 1.3874777737981665 Energy: 1.398656380385524 Energy: 1.3271867523767824 Energy: 1.4021177248127863 minimum gb energy = 1.2420354782433944 eV minimum distance = 2.33645343442463 Angstroms sigma value = 293 ======================================== theta = 101.5369590328155 ======================================== Energy: 1.1837100095030535 Energy: 1.216364018381056 Energy: 1.2195883635375142 Energy: 1.6388909701798389 Energy: 1.1923281611047283 Energy: 1.1849573498581634 Energy: 1.2158964145069144 Energy: 1.2139151334714595 Energy: 1.4112805371890185 Energy: 1.192496025509762 Energy: 1.2891746481311455 Energy: 1.210340562926977 Energy: 1.2107357384152768 Energy: 1.4125958714671625 Energy: 1.2159766352483055 Energy: 1.2900008208592617 Energy: 1.2097520130359878 Energy: 1.1936227265762518 Energy: 1.4116993259531723 Energy: 1.2156755959575918 Energy: 1.2199139062783881 Energy: 1.4106517562679934 Energy: 1.208590458054566 Energy: 1.2149383593112364 Energy: 1.2844878783500462 Energy: 1.218757808534688 Energy: 1.4104705057442581 Energy: 1.215402728046794 Energy: 1.214330749379566 Energy: 1.3000624087644048 Energy: 1.2901720285570475 Energy: 1.1844923796138807 Energy: 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1.2159525451317805 Energy: 1.1887116679140535 Energy: 1.2917129813742005 Energy: 1.438489132899363 Energy: 1.1850938676897347 Energy: 1.2167332698815376 Energy: 1.2199256493951767 Energy: 1.4115769391391653 Energy: 1.192033176593692 Energy: 1.18444063262279 Energy: 1.216754262317675 Energy: 1.2140912490236782 Energy: 1.411496886530364 Energy: 1.1917167743572774 Energy: 1.2889533857874573 Energy: 1.2099209370627697 Energy: 1.2098339585118751 Energy: 1.4125782378579448 Energy: 1.2160592936455812 Energy: 1.2904420049674123 Energy: 1.2095110771429036 Energy: 1.1939032485076633 Energy: 1.4120585736163092 Energy: 1.2151809354630645 Energy: 1.2199520897260985 Energy: 1.4104929954786396 Energy: 1.2096694574599838 Energy: 1.2133477147754885 Energy: 1.2842235466503822 Energy: 1.219360823623235 Energy: 1.4105010343086968 Energy: 1.2161859231410086 Energy: 1.2140285114657976 Energy: 1.3002802540425755 Energy: 1.2891426731124753 Energy: 1.1845842719713513 Energy: 1.1943080912820019 Energy: 1.2180465626759651 Energy: 1.299917946856029 Energy: 1.2896249195867258 Energy: 1.1839402404928556 Energy: 1.1928292666059335 Energy: 1.219091992487317 Energy: 1.284692328959598 Energy: 1.4114965824520849 Energy: 1.194532662250914 Energy: 1.1836147462674398 Energy: 1.2884008661692057 Energy: 1.2098187031730012 Energy: 1.4126957511815013 Energy: 1.1952722187501916 Energy: 1.184349026032834 Energy: 1.4371124770930492 Energy: 1.210441214765569 Energy: 1.4096207375070071 Energy: 1.2150427666457941 Energy: 1.4114743381836878 Energy: 1.2087700960136634 Energy: 1.1945016570952922 Energy: 1.4120070630843404 Energy: 1.2153688994310594 Energy: 1.4108347970610942 Energy: 1.2077579066683335 Energy: 1.1928766577744159 Energy: 1.3008686437951187 Energy: 1.1800299711269817 Energy: 1.2186785601998897 Energy: 1.2130350605232652 Energy: 1.441571794645623 Energy: 1.3000024433552784 Energy: 1.1825530374679583 Energy: 1.218407975716343 Energy: 1.2183301835250602 Energy: 1.4417995867978437 Energy: 1.2243449686242451 Energy: 1.3019244008201536 Energy: 1.2165855440529367 Energy: 1.1829454546879632 Energy: 1.1938963661383073 Energy: 1.450425903704738 Energy: 1.491054204544876 Energy: 1.20900360445776 Energy: 1.182348727694128 Energy: 1.1952502645138887 Energy: 1.214564840060737 Energy: 1.1961937292754272 Energy: 1.4136973407743165 Energy: 1.1858174117004703 Energy: 1.4460844485869842 Energy: 1.215387687655735 Energy: 1.2106135503513709 Energy: 1.209477540617271 Energy: 1.1864519076544606 Energy: 1.4580770612920217 Energy: 1.2087140522156172 Energy: 1.209137585968596 Energy: 1.491851172482074 Energy: 1.4542508767379372 Energy: 1.4111190269518759 Energy: 1.2096723419018205 Energy: 1.2091553360701184 Energy: 1.486676125123536 Energy: 1.4486576448351671 Energy: 1.4089997233915494 Energy: 1.1856065375545866 Energy: 1.216056280655979 Energy: 1.2262731588144957 Energy: 1.2986573905007819 Energy: 1.3006047826474367 Energy: 1.1847815725622777 Energy: 1.2154058688119431 Energy: 1.189203362673215 Energy: 1.299025231608936 Energy: 1.2859181131357493 minimum gb energy = 1.1787749402055294 eV minimum distance = 2.33604266613195 Angstroms sigma value = 15 ======================================== theta = 110.02717248395858 ======================================== Energy: 2.6710391074901425 Energy: 1.4593986330459412 Energy: 1.4495582480124307 Energy: 1.473196401260468 Energy: 1.430825520745808 Energy: 2.62809848098893 Energy: 1.3447114111094929 Energy: 1.4478111187801197 Energy: 1.4657157717300875 Energy: 1.3656847076398877 Energy: 1.2783153037749944 Energy: 1.3901140143094588 Energy: 1.322380642517071 Energy: 1.4641521408567173 Energy: 1.4815928238440887 Energy: 1.456277326374806 Energy: 1.3873980009713134 Energy: 1.4200698116009773 Energy: 1.494876109141216 Energy: 1.45712174460969 Energy: 1.5132670843726783 Energy: 1.649328641840702 Energy: 1.2661964624959368 Energy: 1.472034146468535 Energy: 1.542413994987985 Energy: 1.5497982671853754 Energy: 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1.4241555790516023 Energy: 1.5349281702583615 Energy: 1.269668796727135 Energy: 1.4122232114966664 Energy: 1.5752662648075653 Energy: 1.560802462671315 Energy: 1.5222096006102848 Energy: 1.2648713301600922 Energy: 1.4152461294854555 Energy: 1.2694036352399074 Energy: 1.4210312141933938 Energy: 1.4629013590412618 Energy: 1.5399630636348443 Energy: 1.3381994642756063 Energy: 1.3111379861672035 Energy: 1.4211683829752342 Energy: 1.463567674217804 Energy: 1.3214960981575476 Energy: 1.3795582629438337 Energy: 1.3227169964537526 Energy: 1.410303309999147 Energy: 1.4378521121343117 Energy: 1.2478049730642127 Energy: 1.3953583200281456 Energy: 1.406371915379156 Energy: 1.4237874686212524 Energy: 1.4125667959478478 Energy: 1.2480812957350478 Energy: 1.5426761560623226 Energy: 1.407116215058072 Energy: 1.615633363102206 Energy: 1.5856936062718427 Energy: 1.3250004192920948 Energy: 1.4167674044321144 Energy: 1.330905349354003 Energy: 1.61531739901517 Energy: 1.5618895651346534 Energy: 1.255903637525128 Energy: 1.4379632166230425 Energy: 1.242856567987 Energy: 1.246753826684654 Energy: 1.5577423201048435 Energy: 1.4490307392351498 Energy: 1.36529786151505 Energy: 2.3038845331804527 Energy: 1.2494883868681017 Energy: 1.571604566846505 Energy: 1.4491822530592622 Energy: 1.3685682605256155 Energy: 2.302335361506192 Energy: 1.4737221790890007 Energy: 1.5881960099603207 Energy: 1.5942923962086486 Energy: 1.6232530517823123 Energy: 1.2681125051010476 Energy: 1.3878050056998643 Energy: 1.5889534759303174 Energy: 1.5878747391973544 Energy: 1.4548320198326457 Energy: 1.2676719078459417 Energy: 1.3322850525859895 Energy: 1.3555924947234923 Energy: 1.4207365458873027 Energy: 1.263434689067373 Energy: 1.2705970853798119 Energy: 1.3355705886998905 Energy: 1.3753649687094691 Energy: 1.3266780367066364 Energy: 1.2614381081844157 Energy: 1.271596385766104 Energy: 1.4875257312128098 Energy: 1.62504743695014 Energy: 1.3996310167413821 Energy: 1.275644196100958 Energy: 1.2657320934333047 Energy: 1.459613704236758 Energy: 1.38060478486453 Energy: 1.4099454476887694 Energy: 1.261289558408823 Energy: 1.2634497063701493 Energy: 1.4480544656076146 Energy: 1.3292211879485072 Energy: 1.3589050122805248 Energy: 1.4454363633251905 Energy: 1.4493268204653433 Energy: 1.4040538887073692 Energy: 1.3063686666223595 Energy: 1.4469650413372939 Energy: 1.371004371253906 Energy: 1.4580090837364794 Energy: 1.3402352610783683 Energy: 1.26267304663083 Energy: 1.3644662875907108 Energy: 1.5979273217528311 Energy: 1.2664510975055125 Energy: 1.2547877799048808 Energy: 1.258959748495439 Energy: 1.5270272800312938 Energy: 1.659649747476178 Energy: 1.4201855364086742 Energy: 1.2709276601123551 Energy: 1.2682961982425627 Energy: 1.3544484137565498 Energy: 1.2641919464321332 Energy: 1.3581477419328467 Energy: 1.2877614039203007 Energy: 1.291737821965647 Energy: 1.3777873874917321 Energy: 1.2618630077934156 Energy: 1.3808841175929947 Energy: 1.2695814335394378 Energy: 1.4110994081583552 Energy: 1.2812155662243672 Energy: 1.6444992353362344 Energy: 1.4622565899292803 Energy: 1.2533374164294095 Energy: 1.4186968924818428 Energy: 1.6544269507705511 Energy: 1.4970194693114045 Energy: 1.4665215756246246 Energy: 1.3790443721555183 Energy: 1.3941724291602906 Energy: 1.3295790958605205 Energy: 1.5123724839574624 Energy: 1.2426219088727832 Energy: 1.2688017020630151 Energy: 1.383883472501104 Energy: 1.3243090064592893 Energy: 1.4930941725089608 Energy: 1.2490617596773248 minimum gb energy = 1.2416759067824006 eV minimum distance = 2.30148367764235 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 1.9520288047900822 Energy: 1.6778742575817838 Energy: 1.5339906610006904 Energy: 1.4741551422080708 Energy: 1.5796330079685874 Energy: 1.9523038205531835 Energy: 1.6265362990397565 Energy: 1.535459702079389 Energy: 1.5147133731571725 Energy: 1.5441724737128555 Energy: 1.194050220083648 Energy: 1.380004363773957 Energy: 1.2409592793838142 Energy: 1.6137713732453607 Energy: 1.2960325234117884 Energy: 1.2137566387623646 Energy: 1.2405404073304356 Energy: 1.5531716054018698 Energy: 1.4768109749014606 Energy: 1.2991586257314458 Energy: 1.3947171632755067 Energy: 1.4909731513047242 Energy: 1.3476625292104916 Energy: 1.2230762635773358 Energy: 1.371143819165587 Energy: 1.1929070606769734 Energy: 1.4920964212835064 Energy: 1.2523937528723255 Energy: 1.2222081929946496 Energy: 1.3699038107988957 Energy: 1.2492703643551033 Energy: 1.2589047766312371 Energy: 1.7447518295957232 Energy: 1.4586066438766723 Energy: 1.374904016592734 Energy: 1.2503827476299234 Energy: 1.2912381601248917 Energy: 1.5667361850947343 Energy: 1.4567962870015099 Energy: 1.3759179829485138 Energy: 1.504203483775083 Energy: 1.4721855342513182 Energy: 1.2369525030405568 Energy: 1.2543831094304732 Energy: 1.353524738535437 Energy: 1.504292490297612 Energy: 1.5673404485659845 Energy: 1.2409530524880519 Energy: 1.2547895287077706 Energy: 1.344111862915852 Energy: 1.2453204616077178 Energy: 1.2268281287895366 Energy: 1.351533547477749 Energy: 1.3834294941857297 Energy: 1.9505731535459434 Energy: 1.2441800906519933 Energy: 1.219306162634361 Energy: 1.3894531716166487 Energy: 1.380689211008551 Energy: 1.9502506244470441 Energy: 1.3713054374974467 Energy: 1.397568624727226 Energy: 1.3972601690519768 Energy: 1.3274473372456028 Energy: 1.348501074001531 Energy: 1.372079831580269 Energy: 1.398696689032389 Energy: 1.3980322819104491 Energy: 1.3304075553208738 Energy: 1.3484500776342923 Energy: 1.3757334755788928 Energy: 1.189488944342945 Energy: 1.3062781499266474 Energy: 1.2389456247963744 Energy: 1.4481299727536716 Energy: 1.3753662682530208 Energy: 1.1895754482824636 Energy: 1.3736507524549548 Energy: 1.7553288919022014 Energy: 1.6187279757879278 Energy: 1.235113723353519 Energy: 1.7990126492610619 Energy: 1.5024264084894954 Energy: 1.4582942301200574 Energy: 1.353239039705689 Energy: 1.2357626777593445 Energy: 1.762610623407463 Energy: 1.3739653840377895 Energy: 1.6022624061659647 Energy: 1.3535679073029883 Energy: 1.4145448049730678 Energy: 1.3497237106196314 Energy: 1.2971097158238682 Energy: 1.4022508323363516 Energy: 1.7409878044397133 Energy: 1.4996839875859576 Energy: 1.3480599616419826 Energy: 1.2954279489176512 Energy: 1.4034899661742732 Energy: 1.7442868167483552 Energy: 1.2135747138227795 Energy: 1.1916826665897509 Energy: 1.2043753176580392 Energy: 1.8689152321735834 Energy: 1.2400375981954403 Energy: 1.22012308299537 Energy: 1.2040378022826046 Energy: 1.2936625088144618 Energy: 1.87049325819091 Energy: 1.2350495265872485 Energy: 1.19241149190158 Energy: 1.1975822031034788 Energy: 1.211332832498226 Energy: 1.5956224398214858 Energy: 1.4142625247655698 Energy: 1.1914870562675914 Energy: 1.1994362458538208 Energy: 1.399108489098207 Energy: 1.5924976971643439 Energy: 1.412136327159193 Energy: 1.1925889568583747 Energy: 1.2113167032662773 Energy: 1.3999580312827526 Energy: 1.2880291688220908 Energy: 1.2984914724042784 Energy: 1.193110471152799 Energy: 1.2930057075589958 Energy: 1.4038324456481632 Energy: 1.2855535436022307 Energy: 1.2986643943874545 Energy: 1.2369210940517008 Energy: 1.4131067425700605 Energy: 1.5749522810897394 Energy: 1.5090913188733195 Energy: 1.2420991390272742 Energy: 1.6510728112998718 Energy: 1.3291349234497143 Energy: 1.5341921444331623 Energy: 1.5097944287243277 Energy: 1.237734219713958 minimum gb energy = 1.189488944342945 eV minimum distance = 2.35433938465936 Angstroms sigma value = 33