Model name: model_name=MEAM_LAMMPS_Wagner_2007_Cu__MO_313717476091_001 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.619999974966049 cohesive_energy=3.5402784385560366 mass=63.546 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=[1.568920253608062e-19, 2.2424064169463997e-19, 2.7595409691025795e-19, 3.1816824686288995e-19, 3.5370612678164403e-19, 3.84171515477154e-19, 4.1058820381854597e-19, 4.3366114952478e-19, 4.5390465129537e-19, 4.71706435875744e-19, 4.87369314649728e-19, 5.011336141124219e-19, 5.13198004166442e-19, 5.237243046518219e-19, 5.32853507112354e-19, 5.407009682656859e-19, 5.47366023063126e-19, 5.52939995572812e-19, 5.57496585919908e-19, 5.6110628987630995e-19, 5.63826785800842e-19, 5.6571254769906e-19, 5.668132430466179e-19, 5.67170528436e-19, 5.667876082204739e-19, 5.655491256823919e-19, 5.633060783947919e-19, 5.5988543128120195e-19, 5.55075697025934e-19, 5.48628538250718e-19, 5.40242745748362e-19, 5.295578297762159e-19, 5.161347939365639e-19, 4.99441715586918e-19, 4.788233044839719e-19, 4.53467257074288e-19, 4.22367406431714e-19, 3.84254828662122e-19, 3.37524142778244e-19, 2.80114949628756e-19, 2.0936122729468198e-19, 1.2176398222502938e-19, 1.2662130112632719e-20, -1.24265620821357e-19, -2.98179491177106e-19, -5.235656891650559e-19, -8.248037355364679e-19, -1.2456090197500318e-18, -1.8698522842423798e-18, -2.8705557880724395e-18, -4.63452021857376e-18, -8.10743033396484e-18, -1.5841986099898858e-17, -3.54081036114e-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: 0.015405948040771524 Energy: 0.019850582729179635 Energy: 0.9785109556182748 Energy: 0.9503345154898987 Energy: 0.019164048983808933 Energy: 0.01663485115736309 Energy: 0.31876962510723816 Energy: 0.9641709104772789 Energy: 0.9614406846289748 Energy: 0.01850001738060006 Energy: 0.015635236412296714 Energy: 1.414479929084947 Energy: 0.5996554699587987 Energy: 0.7810955385323807 Energy: 0.9402423554416963 Energy: 1.2158876965016137 Energy: 1.3663699675395682 Energy: 1.033863347286444 Energy: 0.8172434645467596 Energy: 0.853778851279199 Energy: 0.6015303241400202 Energy: 0.019497938710825218 Energy: 0.01578200746445703 Energy: 0.9515652850061664 Energy: 0.9600408774634018 Energy: 0.6017354097846821 Energy: 0.018666754869020093 Energy: 0.015880622535517176 Energy: 0.8134766016116827 Energy: 0.9606546091910021 Energy: 0.7856552844916977 Energy: 1.3135737563113825 Energy: 0.40697898953747247 Energy: 0.6004393432503269 Energy: 0.9532811524408519 Energy: 0.8967931305422263 Energy: 0.016492057592054875 Energy: 0.4071041483264935 Energy: 1.4081471404400014 Energy: 0.7799307895405432 Energy: 0.8886142367504004 Energy: 0.9618913007010722 Energy: 1.316451802894082 Energy: 0.4065017974544097 Energy: 1.2978861768980894 Energy: 0.7759697656263982 Energy: 0.9610559382701683 Energy: 0.6009399016925632 Energy: 0.018441378441594013 Energy: 0.8717589096686318 Energy: 0.6004691161122856 Energy: 1.0163832690173966 Energy: 0.7792599456682552 Energy: 0.01657146253489588 Energy: 0.019030650534801474 Energy: 0.6006362421773278 Energy: 0.9894055048455627 Energy: 0.7858981541188147 Energy: 0.01719450016526404 Energy: 0.015771016554384468 Energy: 0.015717320159226396 Energy: 0.860659805189029 Energy: 0.9697320033301884 Energy: 0.6059075279356768 Energy: 1.3805570625282406 Energy: 0.02151858679678668 Energy: 0.9282598492081386 Energy: 0.7888164004961983 Energy: 0.6046706531528374 Energy: 1.4613956103761292 minimum gb energy = 0.015405948040771524 eV minimum distance = 2.33180767223179 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 1.4550622827672122 Energy: 1.6024790051806825 Energy: 1.3640295472989685 Energy: 1.3005995807559179 Energy: 1.5901135442825804 Energy: 1.389869080888391 Energy: 1.5327821894801779 Energy: 1.299903954402966 Energy: 1.3303846040165044 Energy: 1.6866427775496968 Energy: 1.590757013929983 Energy: 1.7056995434111109 Energy: 1.3562951376538643 Energy: 1.3837243168414197 Energy: 1.3416886842654585 Energy: 1.5756022383047996 Energy: 1.836228070525431 Energy: 1.406345326665204 Energy: 1.3904472168767072 Energy: 1.455921263111943 Energy: 1.3393551898034444 Energy: 1.8642842898201626 Energy: 1.6622724867324554 Energy: 1.3448530659437798 Energy: 1.1278227328324741 Energy: 1.4615717291454144 Energy: 1.8456423056803182 Energy: 1.6111181836458819 Energy: 1.314742801321096 Energy: 1.2021405414648858 Energy: 1.4767747644254166 Energy: 1.4337539007756266 Energy: 1.7112491390662665 Energy: 1.5679563606170823 Energy: 1.279256543740781 Energy: 1.4234203083936954 Energy: 1.4110927269199363 Energy: 1.721257039665845 Energy: 1.5594461501495915 Energy: 1.2619359202165898 Energy: 1.4546590854291266 Energy: 1.4423401947613301 Energy: 1.6397965068366542 Energy: 1.4266617320600168 Energy: 1.4715374759708684 Energy: 1.465175969741328 Energy: 1.4207450199035019 Energy: 1.5238062550134988 Energy: 1.4864728364404909 Energy: 1.3980385835346885 Energy: 1.5567826021947224 Energy: 1.175347973036037 Energy: 1.5622352407121995 Energy: 1.5663201065333274 Energy: 1.4467911822386765 Energy: 1.5627253959226688 Energy: 1.3423999290677864 Energy: 1.5797748969829168 Energy: 1.5154312027052743 Energy: 1.490983924304618 Energy: 1.3549061131237017 Energy: 1.4070249151429068 Energy: 1.5036803873764324 Energy: 1.7418051441220106 Energy: 1.3973362047285518 Energy: 1.3479609968049147 Energy: 1.5455774111322524 Energy: 1.536298701325369 Energy: 1.70896418032408 Energy: 1.3979780026807311 Energy: 1.1776646620258442 Energy: 1.4948237147829122 Energy: 1.736327835607851 Energy: 1.7724544267049525 Energy: 1.416487921054524 Energy: 1.1710900468440282 Energy: 1.504637803271496 Energy: 1.3963024267159792 Energy: 1.8076923680968615 Energy: 1.4251821067963069 Energy: 1.360220732432507 Energy: 1.3766876303376654 Energy: 1.508546999386488 Energy: 1.5047703109070947 Energy: 1.6338175565794466 Energy: 1.383898405638434 Energy: 1.4376948328011756 Energy: 1.6353180398511553 Energy: 1.4695017139722564 Energy: 1.6958809442410612 Energy: 1.7058117194002107 Energy: 1.3429433086855178 Energy: 1.2854797664591366 Energy: 1.6555268444990079 Energy: 1.4570497821356654 Energy: 1.370865234840505 Energy: 1.3039555444130686 Energy: 1.312320846099922 Energy: 1.6666143455417364 Energy: 1.484822922041895 Energy: 1.6159800705170089 Energy: 1.5922573059371794 Energy: 1.2543568518037485 Energy: 1.4557773014505029 Energy: 1.6146345218915232 Energy: 1.5719055923759238 Energy: 1.5561877772092751 Energy: 1.2510397292732522 Energy: 1.4622989288053234 Energy: 1.626869588763608 Energy: 1.7272022063435621 Energy: 1.5457926375772348 Energy: 1.429894165645981 Energy: 1.539649938932275 Energy: 1.666052258186695 Energy: 1.6003922055676754 Energy: 1.552298095578428 Energy: 1.4046474993187341 Energy: 1.5100804770905876 Energy: 1.6623125393690306 Energy: 1.3988504519805185 Energy: 1.466827565666577 Energy: 1.4694553234736738 Energy: 1.2587403146317586 Energy: 1.5237336238482753 Energy: 1.29950055358077 Energy: 1.43973662459941 Energy: 1.4850230939409286 Energy: 1.139606538226515 Energy: 1.5581820660087822 Energy: 1.7841110905550839 Energy: 1.5346928717963366 Energy: 1.3783640478811776 Energy: 1.333205364911686 Energy: 1.551401175592568 Energy: 1.677909760459083 Energy: 1.4539551867015656 Energy: 1.4062951864469349 Energy: 1.3186589960840382 Energy: 1.4997780963346419 Energy: 1.3472720529001385 Energy: 1.4244064559718879 Energy: 1.3054773701980564 Energy: 1.2779775656550383 Energy: 1.6304927394106443 Energy: 1.264589116693252 Energy: 1.4605813583283185 Energy: 1.3534646836541746 Energy: 1.3779072120779599 Energy: 1.4969905342909677 Energy: 1.6119190057682808 Energy: 1.6873152709227075 Energy: 1.3569019025111175 Energy: 1.390876295950525 Energy: 1.4430035939024455 Energy: 1.629112365331409 Energy: 1.7484729502912262 Energy: 1.3111848611511159 Energy: 1.3825918034152156 Energy: 1.4183242737658173 Energy: 1.3561061706140336 Energy: 1.6525815691243972 Energy: 1.6306688389796151 Energy: 1.289604829964489 Energy: 1.2131731224740099 Energy: 1.546745738874631 Energy: 1.6739723211799498 Energy: 1.7290549888558613 Energy: 1.36095280583271 Energy: 1.2207426056552877 Energy: 1.2372713246757572 Energy: 1.5898803652159685 Energy: 1.6939589230649104 Energy: 1.537151990345338 Energy: 1.1697483913884588 Energy: 1.3868689248476251 Energy: 1.6670530778368955 Energy: 1.73100839857488 Energy: 1.604186390381351 Energy: 1.2133339559092364 Energy: 1.4222165472899873 Energy: 1.563340428105024 Energy: 1.6781565710414015 Energy: 1.4593411344742147 Energy: 1.486581806920619 Energy: 1.4479083566299455 Energy: 1.4548431840256606 Energy: 1.7464292360043716 Energy: 1.4874007570176224 Energy: 1.404768364123538 Energy: 1.5726270402817832 Energy: 1.1539450019719655 Energy: 1.6239809834060863 Energy: 1.5686311238551334 Energy: 1.4600275886952905 Energy: 1.5780572486659579 Energy: 1.2894542652581567 Energy: 1.6506648692006727 Energy: 1.1735954051423139 Energy: 1.4721009120817272 Energy: 1.3749011077701703 Energy: 1.5419750915786659 Energy: 1.556598407915953 Energy: 1.5882184317493917 Energy: 1.4013735544772392 Energy: 1.2433154379277158 Energy: 1.5290202961836248 Energy: 1.5745971686753206 Energy: 1.6506152318289908 Energy: 1.4174698970807564 Energy: 1.1749496623912625 Energy: 1.6179150989077378 Energy: 1.5993047657052557 Energy: 1.9870833199557487 Energy: 1.427828935276471 Energy: 1.1959696339475976 Energy: 1.6560134503582205 Energy: 1.7202895932935316 Energy: 1.7906063575365616 Energy: 1.4037543779809663 Energy: 1.3389123303123562 Energy: 1.3778088071139558 Energy: 1.4953927995701524 Energy: 1.5503433295390574 Energy: 1.6539919748358958 Energy: 1.381702611486293 Energy: 1.4484601904898724 Energy: 1.6680758969650815 Energy: 1.518314793811981 Energy: 1.5486690492123583 Energy: 1.4685321101783593 Energy: 1.2874228724025227 Energy: 1.3932508735464615 Energy: 1.676063188411145 Energy: 1.66081168136331 Energy: 1.4393414662096111 Energy: 1.203489145453908 Energy: 1.3181609143985276 Energy: 1.6551796524956535 Energy: 1.6528470512529905 Energy: 1.574326871783778 Energy: 1.6220631632013287 Energy: 1.1752110220237377 Energy: 1.4111475291632674 Energy: 1.6007025472718912 Energy: 1.5662443568811992 Energy: 1.5492574223140536 Energy: 1.1798695512554562 Energy: 1.4492257057240465 Energy: 1.610920637413121 Energy: 1.586079630233645 Energy: 1.5695299565319525 Energy: 1.4120365635454803 Energy: 1.5432277570878215 Energy: 1.490042342343526 Energy: 1.4077435516722916 Energy: 1.4889064719247986 Energy: 1.416165239734428 Energy: 1.4981084695741669 Energy: 1.5887052745164179 Energy: 1.3831375088289868 Energy: 1.3002316047605857 Energy: 1.7136110975979202 Energy: 1.224370315142761 Energy: 1.617053077802101 Energy: 1.6829686676064435 Energy: 1.4314272936725467 Energy: 1.6818891200901913 Energy: 1.182119070680369 Energy: 1.5475151853513252 Energy: 1.5939195686857182 Energy: 1.5073202979909814 Energy: 1.381744090319894 Energy: 1.463869440943813 Energy: 1.4944778950249926 Energy: 1.6865629122706374 Energy: 1.4906475221389577 Energy: 1.4247149918428972 Energy: 1.3984962721118925 Energy: 1.5046932525912866 Energy: 1.5251542298284986 Energy: 1.5755483302364977 Energy: 1.3281438750760994 Energy: 1.4205103305682278 Energy: 1.4909898162078075 Energy: 1.3650162574808633 Energy: 1.4290139746684327 Energy: 1.213705198857955 Energy: 1.4968665988975787 Energy: 1.6578663167380003 minimum gb energy = 1.1278227328324741 eV minimum distance = 2.18390198460086 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 1.4272451217701445 Energy: 1.786321401268529 Energy: 1.223210647404566 Energy: 1.2546314154122433 Energy: 1.6039989476993464 Energy: 1.2492463822464768 Energy: 1.768322767289653 Energy: 1.2680711793087616 Energy: 1.285782956887135 Energy: 1.7439017197844586 Energy: 1.3899866797095546 Energy: 1.8098695751688896 Energy: 1.4870789644491347 Energy: 1.284868665826326 Energy: 1.3669926669936843 Energy: 1.359061756230339 Energy: 1.8276134456413118 Energy: 1.404373066748116 Energy: 1.3509134872898072 Energy: 1.421085203970521 Energy: 1.51876148752927 Energy: 1.8367151777174433 Energy: 1.5951781101745788 Energy: 1.4211709787805566 Energy: 1.2493209500384885 Energy: 1.4629563771692655 Energy: 1.8395386044191788 Energy: 1.49963411132238 Energy: 1.3821209719324639 Energy: 1.2786768332659497 Energy: 1.3753094243337443 Energy: 1.4467275260386816 Energy: 1.7952226841230363 Energy: 1.3310394495415125 Energy: 1.3540819235594463 Energy: 1.4310059431617352 Energy: 1.511256111005124 Energy: 1.6851998350122845 Energy: 1.3618654873952507 Energy: 1.290937472357748 Energy: 1.5672301851297918 Energy: 1.446194579558354 Energy: 1.7864445966375806 Energy: 1.278341231980382 Energy: 1.6101919286448967 Energy: 1.5744820475726562 Energy: 1.4905024366414692 Energy: 1.7342172571989507 Energy: 1.2978788725763033 Energy: 1.6763024674548688 Energy: 1.6807521940389776 Energy: 1.3499281062856983 Energy: 1.7540125420271646 Energy: 1.2900989148319637 Energy: 1.4247645937952158 Energy: 1.640574212610853 Energy: 1.4372898405320234 Energy: 1.812983060474859 Energy: 1.289810077614268 Energy: 1.4445288180703895 Energy: 1.3713627765536474 Energy: 1.3620435773334314 Energy: 1.8414608223695872 Energy: 1.3978772731707827 Energy: 1.34162460830509 Energy: 1.3764764147393524 Energy: 1.3908294231442466 Energy: 1.8350151448419982 Energy: 1.3773859663189518 Energy: 1.3304904760571248 Energy: 1.1531042153203128 Energy: 1.4562129184779495 Energy: 1.3081652301253295 Energy: 1.7391998582252453 Energy: 1.3356649393729862 Energy: 1.2166742244205533 Energy: 1.5204237862532621 Energy: 1.2890771323503332 Energy: 1.805692797128988 Energy: 1.3465110876202109 Energy: 1.36506397932681 Energy: 1.3895942099298884 Energy: 1.48836727605789 Energy: 1.6452096538375836 Energy: 1.317487680773479 Energy: 1.3667564330533308 Energy: 1.4160359613725222 Energy: 1.4654929324045862 Energy: 1.6542138341202701 Energy: 1.3312979248038477 Energy: 1.5686453086005538 Energy: 1.4650105602043728 Energy: 1.4049067456017619 Energy: 1.7604881095118048 Energy: 1.2722833135705347 Energy: 1.6770686671732407 Energy: 1.4786121983305631 Energy: 1.3913131839392783 Energy: 1.7273044225956837 Energy: 1.2833334900574707 Energy: 1.4886267983927692 Energy: 1.5530670289871584 Energy: 1.3448730676905387 Energy: 1.8404692864306578 Energy: 1.3278331332383002 Energy: 1.4838872822155944 Energy: 1.4464545451962778 Energy: 1.4135929478746674 Energy: 1.544537431827651 Energy: 1.2773937541716338 Energy: 1.3117422758354236 Energy: 1.4330126426421013 Energy: 1.365743849777375 Energy: 1.9342659595716825 Energy: 1.387856368287383 Energy: 1.3238613173420224 Energy: 1.5344825786769443 Energy: 1.428333377185592 Energy: 1.9055334848902514 Energy: 1.2655756847330661 Energy: 1.574004170852713 Energy: 1.1967981455927597 Energy: 1.3762320322564576 Energy: 1.314813819374821 Energy: 1.7851417746548304 Energy: 1.6723569655522754 Energy: 1.2669299687189601 Energy: 1.5137866106733926 Energy: 1.2279850666684018 Energy: 1.7150132770093 Energy: 1.2958743848470897 Energy: 1.596536379442957 Energy: 1.4334079912704412 Energy: 1.5334741536577348 Energy: 1.5293972674928644 Energy: 1.3138173647679763 Energy: 1.5971099951237604 Energy: 1.4242901109524027 Energy: 1.5260707058315328 Energy: 1.5015024671580997 Energy: 1.1992749126029232 Energy: 1.6541529189751252 Energy: 1.4308772038396154 Energy: 1.5468210300713716 Energy: 1.540193920250865 Energy: 1.254293669331976 Energy: 1.6296259031201439 Energy: 1.40043979704424 Energy: 1.563307572716909 Energy: 1.5103128271438937 Energy: 1.359078335831169 Energy: 1.5165657676129374 Energy: 1.5018986559493506 Energy: 1.4080341314310716 Energy: 1.5148731728466525 Energy: 1.2997621446686727 Energy: 1.5064775758695554 Energy: 1.469877358145696 Energy: 1.3857183091171819 Energy: 1.4352973302170722 Energy: 1.3125937870729167 Energy: 1.2983413517387874 Energy: 1.5781181644682793 Energy: 1.5805173838130158 Energy: 1.641563508900588 Energy: 1.3183431309068219 Energy: 1.3005940619573924 Energy: 1.5554316380988469 Energy: 1.598524604209915 Energy: 1.5044727899710948 Energy: 1.7284397289875428 Energy: 1.6744849319592503 Energy: 1.2696248196798356 Energy: 1.3323877261024835 Energy: 1.319754024664456 Energy: 1.6395523781881842 Energy: 1.6877384537909728 Energy: 1.3091421410367974 Energy: 1.3473704207112551 Energy: 1.3181164629343602 Energy: 1.490838025913997 Energy: 1.429529770582518 Energy: 1.6222423194805269 Energy: 1.4047285667984863 Energy: 1.5873947118692817 Energy: 1.4924090753352184 Energy: 1.448686581700345 Energy: 1.588789265133107 Energy: 1.3794058938611042 Energy: 1.8432768708353278 Energy: 1.5453334135050987 Energy: 1.2668610006864371 Energy: 1.654147510094068 Energy: 1.3865203130977586 Energy: 1.545780831870957 Energy: 1.4113141402496436 Energy: 1.2597310636671613 Energy: 1.9127113758947916 Energy: 1.337394194864274 Energy: 1.6925446615628124 Energy: 1.4895192624933407 Energy: 1.2799461425058363 Energy: 1.506054434110627 Energy: 1.4433694250444202 Energy: 1.5735690518372187 Energy: 1.4286018698865066 Energy: 1.2806556859889584 Energy: 1.4518750173704558 Energy: 1.4549586110294768 Energy: 1.6224305404489177 Energy: 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1.3983852374370536 Energy: 1.1622837876910208 Energy: 1.4811856391420455 Energy: 1.7856797294446467 Energy: 1.5503645948534648 Energy: 1.3272521674256925 Energy: 1.1050313268096474 Energy: 1.5038791037258947 Energy: 1.8465964263375254 minimum gb energy = 1.0981150803071036 eV minimum distance = 2.22933922518105 Angstroms sigma value = 165 ======================================== theta = 44.41530859719298 ======================================== Energy: 1.3836207344452431 Energy: 1.6146533248562294 Energy: 1.2504927625050124 Energy: 1.4451509996413476 Energy: 1.5451385095111938 Energy: 1.2842747047093153 Energy: 1.5853678119369619 Energy: 1.3309464082682394 Energy: 1.449106590924046 Energy: 1.6190848567393148 Energy: 1.5922656136487339 Energy: 1.725313263492194 Energy: 1.404289930525939 Energy: 1.208925722227085 Energy: 1.2609881041809885 Energy: 1.5835472935051726 Energy: 1.6545768926746256 Energy: 1.4221364533679328 Energy: 1.237240681375011 Energy: 1.2341264463934003 Energy: 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1.710236518349831 Energy: 1.6300666558291763 Energy: 1.0777145862596527 Energy: 1.2814317112052054 Energy: 1.749606422162378 Energy: 1.6590306160429193 Energy: 1.4427034898750097 Energy: 0.9740625398286149 Energy: 1.250751973410891 Energy: 1.8396433005103083 minimum gb energy = 0.8953684782686847 eV minimum distance = 2.28702199161597 Angstroms sigma value = 185 ======================================== theta = 62.96430821058772 ======================================== Energy: 0.7612339077774264 Energy: 1.5193125012970143 Energy: 1.7250514186111836 Energy: 1.6219941597214538 Energy: 0.8200533921929994 Energy: 0.641454530273389 Energy: 1.6429126199505435 Energy: 1.7320288181643728 Energy: 1.7787353478780745 Energy: 1.0424043295904264 Energy: 1.0710348940511771 Energy: 1.7241742073825281 Energy: 1.734975573379121 Energy: 1.5763709468395803 Energy: 0.9280838931834274 Energy: 1.3252034376629223 Energy: 1.6188261444030456 Energy: 1.7207149495456489 Energy: 1.6244892867158431 Energy: 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1.4927696931880967 Energy: 1.390632854310329 Energy: 0.9976364650446872 Energy: 1.2641936588198324 Energy: 1.418454681024176 Energy: 1.4879792861865444 Energy: 1.3500655356684186 Energy: 0.9706566136635542 Energy: 1.0725624621045364 Energy: 1.5620921708496347 Energy: 1.4768228351697867 Energy: 1.5469687675392778 Energy: 1.1596580454250782 Energy: 1.192375659021403 Energy: 1.6270119581815239 Energy: 1.6499276146227428 Energy: 1.540191144127317 Energy: 1.2059171273823028 Energy: 1.217508970126038 Energy: 1.48215225591989 Energy: 1.5041253039523679 Energy: 1.2637848559670772 Energy: 1.0604788049678688 Energy: 1.1823267402052493 Energy: 1.5697265869554655 Energy: 1.416818763946393 Energy: 1.2335974177566913 Energy: 1.0226802013482772 Energy: 1.6177201777480543 Energy: 1.4040567274216187 Energy: 1.3789384165820298 Energy: 1.0427259308484302 Energy: 1.3370732034848893 Energy: 1.7842490394279282 Energy: 1.5950054144680517 Energy: 1.4263389087251648 Energy: 1.0302340100674507 Energy: 1.5880870827663398 Energy: 1.4482459754550012 Energy: 1.5033652077449446 Energy: 1.4857335834344836 Energy: 1.0410513916741204 Energy: 1.058983058898175 Energy: 1.6586334217454086 Energy: 1.745008755447382 Energy: 1.4883982126289248 Energy: 0.9622458048284229 Energy: 1.1171509036071066 Energy: 1.5933822774698907 Energy: 1.5303702681960318 Energy: 1.252730545770583 Energy: 1.0773893606366078 Energy: 1.2103417197950872 Energy: 1.6512618939583634 Energy: 1.4912696760581154 Energy: 1.1147991915086954 Energy: 1.0944636639762562 Energy: 1.276559405452548 Energy: 1.5896777896315255 Energy: 1.7114566949269172 Energy: 1.1507705406171982 Energy: 1.350278536532821 Energy: 1.747448027330698 Energy: 1.5673901186872152 Energy: 1.5991713343374248 Energy: 1.040126556469645 Energy: 1.2318238104258732 Energy: 1.763871606580194 minimum gb energy = 0.7542848515612889 eV minimum distance = 2.26651578307105 Angstroms sigma value = 219 ======================================== theta = 78.46304096718453 ======================================== Energy: 1.2522434885945857 Energy: 1.6571326707048126 Energy: 1.4080393545751881 Energy: 1.2981392534302312 Energy: 1.7985669143788081 Energy: 1.2610204064462573 Energy: 1.6375653410497553 Energy: 1.3157543253692179 Energy: 1.2670279991351454 Energy: 1.898822302645077 Energy: 1.6847468387693112 Energy: 1.509731049178676 Energy: 1.1939638294611894 Energy: 1.318114084224687 Energy: 1.687157925948564 Energy: 1.6920223790679203 Energy: 1.5335716726654287 Energy: 1.1865200723045009 Energy: 1.391347925146124 Energy: 1.7013110237409197 Energy: 1.5323715588973148 Energy: 1.1710944963070655 Energy: 1.2829938600699275 Energy: 1.5341098294524014 Energy: 1.6376822155145243 Energy: 1.463527636261405 Energy: 1.1090687433257775 Energy: 1.3014225769877528 Energy: 1.5756431177734094 Energy: 1.5886958674321066 Energy: 1.785930222687886 Energy: 1.3287629313201186 Energy: 1.181926887838361 Energy: 1.5738161668996218 Energy: 1.5658947297300956 Energy: 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1.3721919878630393 Energy: 1.3306441516693774 Energy: 1.3671326538934099 Energy: 1.4183562037996715 Energy: 1.4999867428625087 Energy: 1.432178432748922 Energy: 1.2078506383879655 Energy: 1.2611370306242133 Energy: 1.7436849156251437 Energy: 1.8050569815710518 Energy: 1.4498804907561615 Energy: 1.321608609019939 Energy: 1.5414877077074935 Energy: 1.7318240289386642 Energy: 1.571137395663877 Energy: 1.4150310136335735 Energy: 1.4433446376034835 Energy: 1.5238373261893214 minimum gb energy = 1.1090687433257775 eV minimum distance = 2.24959656266669 Angstroms sigma value = 15 ======================================== theta = 88.83061719438597 ======================================== Energy: 1.4698521389903136 Energy: 1.8919988651051516 Energy: 1.4448291065432983 Energy: 1.4966175093071794 Energy: 1.8465528392826824 Energy: 1.645253130101468 Energy: 1.7761502701165481 Energy: 1.3549623934824724 Energy: 1.6027888062605817 Energy: 2.0124838265627716 Energy: 1.7427198133368753 Energy: 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1.5043923398309704 Energy: 1.4784727671847337 Energy: 1.784954472334009 Energy: 1.5183681006391496 Energy: 1.7251513985698044 Energy: 1.616611244509209 Energy: 1.3585540342243334 Energy: 1.6097777140549923 Energy: 1.686050786488624 Energy: 1.4985699184327024 Energy: 1.6032792637374134 Energy: 1.4980044051896544 Energy: 1.6314927342343029 Energy: 1.5716451417638553 Energy: 1.6023574711919868 Energy: 1.6000359904025183 Energy: 1.7993612110956427 Energy: 1.4211699605139294 Energy: 1.5023063117827105 Energy: 1.3283557440703455 Energy: 1.695998421712214 Energy: 1.7342381634222332 Energy: 1.4462735776838278 Energy: 1.533687440415418 Energy: 1.5447534258922668 Energy: 1.7015741246716 Energy: 1.7311301324967356 Energy: 1.613114355040429 Energy: 1.6970523315120725 Energy: 1.8510862480209134 Energy: 1.8483191292848884 Energy: 1.7189858396080082 Energy: 1.39069546155943 Energy: 1.7238566994807416 Energy: 1.8516257533658633 minimum gb energy = 1.1366481193551075 eV minimum distance = 2.2636352349723 Angstroms sigma value = 293 ======================================== theta = 91.16938280561406 ======================================== Energy: 1.4060511264409943 Energy: 1.7840893609724415 Energy: 1.6390722900572972 Energy: 1.6647848496379185 Energy: 2.0263470826334977 Energy: 1.3759016500766208 Energy: 1.554138256743719 Energy: 1.4967915782791161 Energy: 1.6348990837382789 Energy: 1.9406979091831784 Energy: 1.5185610690161937 Energy: 1.4978266517429846 Energy: 1.4258217220043343 Energy: 1.4054543919973232 Energy: 1.6777654397397646 Energy: 1.6293073500028983 Energy: 1.5231073620115314 Energy: 1.27794088010403 Energy: 1.4403154120368709 Energy: 1.7695094307664545 Energy: 1.598155947456743 Energy: 1.3691680710931673 Energy: 1.4918889548470355 Energy: 1.4793748709385925 Energy: 1.4388667066872693 Energy: 1.612503276972897 Energy: 1.3253282734682383 Energy: 1.464062864976802 Energy: 1.4999574313831812 Energy: 1.4111862841938363 Energy: 1.6301413306483206 Energy: 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1.5128512864879937 Energy: 1.4382474562635161 Energy: 1.347792963227867 Energy: 1.536897672771493 Energy: 1.7176883701539598 Energy: 1.433250064872903 Energy: 1.6685967469994791 Energy: 1.5251556057097422 Energy: 1.7713970302847262 Energy: 1.7527113304562392 Energy: 1.4298746607044306 Energy: 1.7822924451094435 Energy: 1.451751720576392 Energy: 1.5893403408653355 Energy: 1.5728129836408373 Energy: 1.3142444775136375 Energy: 1.4204636994146262 Energy: 1.5080674002109773 Energy: 1.6751658473451572 Energy: 1.5785991205462873 Energy: 1.3246126242991212 Energy: 1.4645444854269167 Energy: 1.4696011030277039 Energy: 1.3362185283235946 Energy: 1.1760835080926342 Energy: 1.4169491693582423 Energy: 1.762982797129703 Energy: 1.7968846467704225 Energy: 1.3247256903488955 Energy: 1.3463286946737298 Energy: 1.3740038507976287 Energy: 1.697960136222806 Energy: 1.8074506800273802 Energy: 1.5747487705972072 Energy: 1.4728010783588537 Energy: 1.6748567642183538 Energy: 1.785218666687401 Energy: 1.7932701761969752 Energy: 1.5835050623708768 Energy: 1.420183417617589 Energy: 1.854126062149935 Energy: 1.6972371666570285 Energy: 1.723906678279034 Energy: 1.5531776368764714 Energy: 1.198279841517743 Energy: 1.5674305171078526 Energy: 1.6686128328510141 Energy: 1.5811984532614374 Energy: 1.344286204331262 Energy: 1.2568329659310842 Energy: 1.6594977861604165 Energy: 1.7230994953950984 Energy: 1.6000865591736901 Energy: 1.5947631914558111 Energy: 1.5480447782569489 Energy: 1.508152042577587 Energy: 1.493892173352659 Energy: 1.4882114200149748 Energy: 1.5474852563017951 Energy: 1.5725312673524157 Energy: 1.5277601892349617 Energy: 1.5583504861437214 Energy: 1.5215809544582188 Energy: 1.5535158760069796 Energy: 1.6761596053041976 Energy: 1.476142316512488 Energy: 1.5447039166803012 Energy: 1.6841216208579017 Energy: 1.5580407688469675 Energy: 1.5867516319721333 Energy: 1.424530032477932 Energy: 1.613905482479898 Energy: 1.657903139025791 minimum gb energy = 1.1760835080926342 eV minimum distance = 2.2704090044967 Angstroms sigma value = 293 ======================================== theta = 101.5369590328155 ======================================== Energy: 0.8261666257003265 Energy: 1.5221469450762968 Energy: 1.6580027249345708 Energy: 1.6276508472581206 Energy: 1.5366742517412857 Energy: 0.8187961203611496 Energy: 1.6700321113815437 Energy: 1.5524712685664783 Energy: 1.6184312646536392 Energy: 1.1016827513459804 Energy: 1.348339192225201 Energy: 1.555432632147869 Energy: 1.4872966638996103 Energy: 1.6615622853020506 Energy: 1.6401861044197106 Energy: 1.5964921086571737 Energy: 1.6134516280868432 Energy: 1.4783289377630713 Energy: 1.783011675122133 Energy: 1.7150700369791865 Energy: 2.112176899717271 Energy: 1.6703186480691372 Energy: 1.4528966869966284 Energy: 1.5274245914842903 Energy: 2.065969621143836 Energy: 1.6104743700146396 Energy: 1.4853803032158996 Energy: 1.5552413335093995 Energy: 1.5554152694095456 Energy: 1.938666622532064 Energy: 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1.4054004638536928 Energy: 1.7376670735695032 Energy: 1.6076563425107635 Energy: 1.9592925937263053 Energy: 1.6055607110357057 minimum gb energy = 0.8179764847014291 eV minimum distance = 2.25174049473448 Angstroms sigma value = 15 ======================================== theta = 110.02717248395858 ======================================== Energy: 1.6588557539436501 Energy: 1.8850075628264717 Energy: 1.5789483420386632 Energy: 1.5030636099964554 Energy: 1.9298614972541939 Energy: 1.554020909261238 Energy: 1.7882142039978266 Energy: 1.5760978807368813 Energy: 1.584462505293686 Energy: 1.701299894160415 Energy: 1.659513460318049 Energy: 1.633004540799141 Energy: 1.3542678495067777 Energy: 1.4204691594781356 Energy: 1.7152280478913824 Energy: 1.702795242311034 Energy: 1.543512582161275 Energy: 1.2040146203546644 Energy: 1.4828622167655625 Energy: 1.7290650494715822 Energy: 1.5296991262023159 Energy: 1.5379036227320118 Energy: 1.6745613558949473 Energy: 1.343076693605716 Energy: 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1.5418356071279495 Energy: 1.5513458875605608 Energy: 1.5540866263308835 Energy: 1.4750015082940817 Energy: 1.7423163003748898 Energy: 1.804698685185774 Energy: 1.735743979932808 Energy: 1.6210443953333362 Energy: 1.5342925083830607 Energy: 1.7188383730468284 Energy: 1.7438906462943424 Energy: 1.7287878273095003 Energy: 1.692201659221647 Energy: 1.1993766909558834 Energy: 1.4742696204960077 Energy: 1.81979548258076 Energy: 1.6665938308964263 Energy: 1.4810793939187217 Energy: 1.194691625515176 Energy: 1.5006811350539144 Energy: 1.6691768903403392 Energy: 1.5936842268201055 Energy: 1.4875872282154288 Energy: 1.6030504524442362 Energy: 1.3577257187364193 Energy: 1.5186906701003227 Energy: 1.4108344577325478 Energy: 1.5315018448290825 Energy: 1.5745022462568299 Energy: 1.39274897044079 Energy: 1.527059893889404 Energy: 1.4353348518950118 Energy: 1.4221074851940383 Energy: 1.564256195482237 Energy: 1.4140280275841433 Energy: 1.316022056234021 Energy: 1.5038203273147013 Energy: 1.6943636830734263 Energy: 1.59460326939088 Energy: 1.453523234911335 Energy: 1.293209693325267 Energy: 1.5091919630200503 Energy: 1.8193128390279556 Energy: 1.9269877621196614 Energy: 1.6215566168952584 Energy: 1.4860971593832417 Energy: 1.858801327195366 Energy: 1.4731998604269279 Energy: 1.8138790525908326 Energy: 1.504146226839102 Energy: 1.5893507628403454 Energy: 1.7939719616046146 Energy: 1.4707483127435121 Energy: 1.6197477032666117 Energy: 1.469360844836919 Energy: 1.3974203065409 Energy: 1.647141338291485 Energy: 1.650854738730326 Energy: 1.748889071590108 Energy: 1.5458846501149583 Energy: 1.4888183377557511 Energy: 1.5690590863548541 Energy: 1.605130283855568 Energy: 1.389215863703904 Energy: 1.5821889476964497 Energy: 1.5204037144441296 Energy: 1.3008278687991097 Energy: 1.2792250826421088 Energy: 1.4485203333121923 Energy: 1.6449870217524547 Energy: 1.4263901809667607 Energy: 1.278228301276266 Energy: 1.3228186955026318 Energy: 1.6935225101815234 Energy: 1.672526828584837 Energy: 1.4885699971224706 Energy: 1.342948933083336 Energy: 1.5345595659699585 Energy: 1.602837364646032 Energy: 1.7837741071493918 Energy: 1.5079423197098536 Energy: 1.3046424588282794 Energy: 1.5466081794617363 Energy: 1.866941752322013 Energy: 1.7353188017341286 Energy: 1.6399956712505173 Energy: 1.541503053463551 Energy: 1.6923323356692057 Energy: 1.8249679589356158 Energy: 1.6876521059961562 Energy: 1.6344247930912408 Energy: 1.784188377557063 Energy: 1.7253320778962307 Energy: 1.5166181616594812 Energy: 1.4779617556684228 Energy: 1.5523877856476416 Energy: 1.5446476888882827 Energy: 1.6122116908451367 Energy: 1.5257455580019408 Energy: 1.5640974913947467 Energy: 1.6227330337307866 Energy: 1.4874994571822662 Energy: 1.6176335314364434 Energy: 1.3224980591825863 Energy: 1.1912399579145165 Energy: 1.4485340997567149 Energy: 1.7282335875530002 Energy: 1.523410873828569 Energy: 1.2541092427555385 Energy: 1.3209259084516152 Energy: 1.5006483312935475 Energy: 1.7013948653655373 Energy: 1.5229062334933308 Energy: 1.5900453202232339 Energy: 1.6175108522231798 Energy: 1.4139459780914447 Energy: 1.5401124207486105 Energy: 1.538836590007088 Energy: 1.6195523518248913 Energy: 1.6142412206209047 Energy: 1.266567731036094 Energy: 1.6228750084226513 Energy: 1.5275253030242206 Energy: 1.8269505191322533 Energy: 1.7948501390585307 Energy: 1.564367310131182 Energy: 1.5171994674935925 Energy: 1.8334344471484847 Energy: 1.723766925878368 Energy: 1.7580418959608435 Energy: 1.5751573760802482 Energy: 1.6560806821086496 Energy: 1.9003045848592914 minimum gb energy = 1.0939701861574835 eV minimum distance = 2.19279326422101 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 1.3916711847569727 Energy: 1.8010000463215527 Energy: 1.6016754460351277 Energy: 1.592274554486948 Energy: 2.051559183928763 Energy: 1.3689677293802278 Energy: 1.781795403429406 Energy: 1.5680323441997126 Energy: 1.6259316443590635 Energy: 1.7984785044867933 Energy: 1.5770339394359973 Energy: 1.5207974267259718 Energy: 1.3143370361796876 Energy: 1.405349975955607 Energy: 1.667179963475919 Energy: 1.4623747774076246 Energy: 1.4981512933206407 Energy: 1.302402420604575 Energy: 1.5423628880119737 Energy: 1.7460820903722174 Energy: 1.439982056608834 Energy: 1.4096840384942395 Energy: 1.5544093112100315 Energy: 1.3408118490940641 Energy: 1.3315559901790004 Energy: 1.3590726584482808 Energy: 1.4227421640059479 Energy: 1.5011140600352426 Energy: 1.4678011886464624 Energy: 1.3373304287290897 Energy: 1.5713874412904922 Energy: 1.447912161720667 Energy: 1.615331739187349 Energy: 1.487529123248526 Energy: 1.3414791567187871 Energy: 1.5476195347441082 Energy: 1.5531650456202377 Energy: 1.6211350818046342 Energy: 1.4892166396033841 Energy: 1.36058020423795 Energy: 1.6075580596512986 Energy: 1.6350550160227197 Energy: 1.5813279312679818 Energy: 1.611049084136769 Energy: 1.7746338113125824 Energy: 1.7079464361199643 Energy: 1.6848180554423722 Energy: 1.5444683447562364 Energy: 1.6742728664797693 Energy: 1.7517204780876359 Energy: 1.679367797716678 Energy: 1.6894967237356335 Energy: 1.3600676245563255 Energy: 1.7253109043304542 Energy: 1.3038750373606527 Energy: 1.6042450333262686 Energy: 1.6287175860926806 Energy: 1.3779673381046622 Energy: 1.7529079681871338 Energy: 1.2449379457286567 Energy: 1.4166931847212079 Energy: 1.25019705186116 Energy: 1.3041894867678603 Energy: 1.4736202192803922 Energy: 1.622881986331162 Energy: 1.4173716415516848 Energy: 1.2700162509984874 Energy: 1.2577484327011128 Energy: 1.4663086886403631 Energy: 1.4762051425879574 Energy: 1.3943894833477408 Energy: 1.4566819782481488 Energy: 1.4828733810179617 Energy: 1.3337603749232259 Energy: 1.3551482769147667 Energy: 1.382965130732013 Energy: 1.6419266373888124 Energy: 1.387298588455726 Energy: 1.267462328594331 Energy: 1.377814591660559 Energy: 1.72815323645729 Energy: 1.6971449898405693 Energy: 1.679572034305636 Energy: 1.5096908538993024 Energy: 1.618915752509932 Energy: 1.7371476853770464 Energy: 1.7943473610325926 Energy: 1.6108998468578999 Energy: 1.5842393199931644 Energy: 1.5763495348736456 Energy: 1.9094441697047244 Energy: 1.8122892548319673 Energy: 1.5273950326411625 Energy: 1.537501249554882 Energy: 1.6507986284356475 Energy: 1.79094854487926 Energy: 1.77879237913669 Energy: 1.606235936611055 Energy: 1.5217842769197123 Energy: 1.700283779565983 Energy: 1.5111515115789231 Energy: 1.4450623330206238 Energy: 1.4848109122970972 Energy: 1.5095615570573169 Energy: 1.3842867636714684 Energy: 1.5256014827572004 Energy: 1.3623405736913383 Energy: 1.5250793226889034 Energy: 1.4659481000056362 Energy: 1.4564708610943244 Energy: 1.1489359960813192 Energy: 1.2662988930113097 Energy: 1.4232688995262197 Energy: 1.6638079037280837 Energy: 1.3660866495254265 Energy: 1.2572040972096366 Energy: 1.3064893412363232 Energy: 1.3611159473630092 Energy: 1.5726668626911566 Energy: 1.3698826024109891 Energy: 1.3560200621100091 Energy: 1.734575339082258 Energy: 1.3917777972379874 Energy: 1.3437828401007046 Energy: 1.5156433336793955 Energy: 1.5089434224924907 Energy: 1.523894036803211 Energy: 1.3305205128766397 Energy: 1.471810496303008 Energy: 1.4709838967211255 Energy: 1.7302587982141944 Energy: 1.8452890379272229 Energy: 1.7652750596475049 Energy: 1.4978376998860845 Energy: 1.7624825818589585 Energy: 1.6651035785315063 Energy: 1.7972308301895679 Energy: 1.5993781139396472 Energy: 1.5087298622969159 Energy: 1.6722476933229264 minimum gb energy = 1.1489359960813192 eV minimum distance = 2.21684910676379 Angstroms sigma value = 33