Model name: model_name=EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.615001678466797
cohesive_energy=3.5402785184955947
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.5555645091870378e-19, 2.23171989879762e-19, 2.75048867112048e-19, 3.17384782488864e-19, 3.53021997358926e-19, 3.8357550576930596e-19, 4.10072302942398e-19, 4.3322055095042997e-19, 4.53532946316282e-19, 4.7139881796201595e-19, 4.871209772714579e-19, 5.009381485630739e-19, 5.130506039161139e-19, 5.23618560993978e-19, 5.327814091638239e-19, 5.40657709496568e-19, 5.47345194766884e-19, 5.52933586866276e-19, 5.574997902731759e-19, 5.61112698582846e-19, 5.63833194507378e-19, 5.65717354228962e-19, 5.66814845223252e-19, 5.67170528436e-19, 5.667892103971079e-19, 5.65561943095464e-19, 5.63342928457374e-19, 5.59960733583e-19, 5.552086776865559e-19, 5.488432299196739e-19, 5.405663854284299e-19, 5.30019256646808e-19, 5.168413538321579e-19, 5.01263390419776e-19, 4.828319504222399e-19, 4.60739536816014e-19, 4.339928000880179e-19, 4.0135806423007197e-19, 3.6133569191275195e-19, 3.12113621363004e-19, 2.5113638084959795e-19, 1.7505061467757201e-19, 8.05712198765724e-20, -3.6953723410219794e-20, -1.85552882513442e-19, -3.74619338385246e-19, -6.1928292563348395e-19, -9.397807373222098e-19, -1.367021965074552e-18, -1.94092483972662e-18, -2.72467760554674e-18, -3.8083097719526395e-18, -5.24243409881238e-18]
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: 0.016721826723166803
Energy: 0.017524901618987083
Energy: 0.33539978850111885
Energy: 0.8385160266997834
Energy: 0.8244694115286151
Energy: 0.29779508335198446
Energy: 0.01770878095180469
Energy: 0.017314654226606236
Energy: 0.6542724157579739
Energy: 0.0822761423869181
Energy: 0.33589043028987603
Energy: 0.5853411763704022
Energy: 0.01791853807269121
Energy: 0.0838130858959878
Energy: 0.01708685487287704
Energy: 0.6561106984304761
Energy: 0.2034359753750308
Energy: 0.3354763326443623
Energy: 0.6637001853334348
Energy: 0.08234875877286019
Energy: 0.083643537897478
Energy: 0.01903216250011726
Energy: 0.7635467738415881
Energy: 0.33615529278179096
Energy: 0.8350592592707552
Energy: 0.6552929417014481
Energy: 0.08272215886716597
Energy: 0.017546575205677276
Energy: 0.08314028841316537
Energy: 0.6560163399236987
Energy: 0.24334454325041258
Energy: 0.3365505590629047
Energy: 0.5860334824078959
Energy: 0.017470013341873387
Energy: 0.08387837489452923
Energy: 0.017033538930581814
Energy: 0.6557268564514537
Energy: 0.20206718125292913
Energy: 0.3358224164542466
Energy: 0.6670257774228284
Energy: 0.08214015633800639
Energy: 0.08393049133352976

minimum gb energy = 0.016721826723166803 eV
minimum distance =  2.53176269956923 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.049838297602754
Energy: 0.9213495594667676
Energy: 1.0707928901100472
Energy: 0.9789316056908788
Energy: 1.003949320038561
Energy: 0.9895058166930591
Energy: 0.9212362631986695
Energy: 0.9275391338208181
Energy: 0.9771689848388889
Energy: 0.9209961000995324
Energy: 0.9708110450274625
Energy: 0.9803980090907374
Energy: 0.9290506841518453
Energy: 1.0006991248067163
Energy: 0.9166197856358334
Energy: 0.9902275497839371
Energy: 0.9918582977025439
Energy: 1.0032464732249249
Energy: 0.9844757331474632
Energy: 1.0179674664863223
Energy: 0.9432492876063298
Energy: 0.9344218301641022
Energy: 1.004976671040214
Energy: 0.9338926131250588
Energy: 1.018295334748953
Energy: 1.0081219417234748
Energy: 0.9268274089617562
Energy: 0.9783079251145939
Energy: 0.9874573428525262
Energy: 0.928217186961606
Energy: 0.9804706342414548
Energy: 0.9554473963337762
Energy: 0.998027688413529
Energy: 0.9826192162823554
Energy: 0.9646400869655405
Energy: 0.967499868306276
Energy: 0.9871615579878813
Energy: 0.975384837341945
Energy: 0.9310772526916143
Energy: 0.9519244727368935
Energy: 1.0117325410506015
Energy: 0.9288101594940376
Energy: 0.9339998193293807
Energy: 0.9453752158320924
Energy: 1.0322849204559048
Energy: 0.9891190250323747
Energy: 0.9690731400165087
Energy: 1.0357039224153501
Energy: 0.9825339118320366
Energy: 0.962380501090651
Energy: 0.9322436714707754
Energy: 0.9930513514016893
Energy: 0.9946745270345739
Energy: 0.9747149844101582
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Energy: 0.9971160873956328
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Energy: 0.9461470106014879
Energy: 0.9621814091323055
Energy: 0.9558636603118308
Energy: 1.0331497002072607
Energy: 0.9736641939867983
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Energy: 0.9371910466144083
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Energy: 0.9978847637683004
Energy: 0.9832251333826295
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Energy: 0.9193715034209472
Energy: 0.954925748332951
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Energy: 0.9931568691236933
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Energy: 0.986344876713555
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Energy: 0.9511316072182697
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Energy: 1.0220685725353136
Energy: 1.0307201621937525
Energy: 0.9661540266222346
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Energy: 0.9419088599852802
Energy: 0.9642885977062307
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Energy: 0.9626329033712577
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Energy: 0.9347118600966993
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Energy: 1.0203765409760917
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Energy: 0.9612261944421719
Energy: 0.9800177121938481
Energy: 0.9478607157594664
Energy: 0.9483913813452187
Energy: 1.016867262249335
Energy: 0.9945802879408675
Energy: 0.9688467076540929
Energy: 0.9820617410335618
Energy: 0.9226920384314999
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Energy: 0.9863366079242402
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Energy: 1.0918547534051337
Energy: 0.9522104746180425
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Energy: 0.9441484751765311
Energy: 0.945431638899733
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Energy: 0.9233188630773895
Energy: 0.9819299806613841
Energy: 1.0064803655252796
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Energy: 0.9937364252808218
Energy: 0.9875486962586194
Energy: 0.9240381873862743
Energy: 0.9784780766673213
Energy: 0.9363939950695758
Energy: 0.9235376042765014
Energy: 0.9298107800662592
Energy: 0.9463475755476317
Energy: 0.9249053944106634
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Energy: 0.9955078720640151
Energy: 1.0402966858043856
Energy: 1.0058930430369286
Energy: 0.9261168807296074
Energy: 0.9860391926260332
Energy: 0.9702606430216439
Energy: 0.9354701067105079
Energy: 1.0662138736827946
Energy: 0.9441545280720883
Energy: 0.9187870130074215
Energy: 1.0051893634383795
Energy: 1.0051545158287996
Energy: 0.9838542272648934
Energy: 0.9661321275673846
Energy: 0.929221542968018
Energy: 1.0041287638315413
Energy: 0.9554686573229175
Energy: 0.9430091051571996
Energy: 1.0365725351163835
Energy: 0.9590700253825465
Energy: 0.964681136338758
Energy: 0.971269755778287
Energy: 1.0040657613401596
Energy: 0.9260262820432041
Energy: 0.9629711481207597
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Energy: 0.9671158701400001
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Energy: 1.0222927188229303
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Energy: 0.9582510336424395
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Energy: 1.0031847618245333
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Energy: 1.0157075756301475
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Energy: 0.9933701642811267
Energy: 0.9933044306296803
Energy: 0.9630427846504821
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Energy: 0.9341104734712071
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Energy: 0.9848393543603864
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Energy: 0.9667425978047275
Energy: 0.9574144075255269
Energy: 0.932047444599299
Energy: 0.9764985184873084
Energy: 1.0486966679707133
Energy: 0.9699441906950919
Energy: 0.9706615446915039
Energy: 1.0309107316080148
Energy: 0.956088649786283
Energy: 0.9767715506179173
Energy: 0.9457965848190985
Energy: 0.9808507335117693
Energy: 1.0026361924568012
Energy: 0.994003534355853
Energy: 0.9667141776239302
Energy: 0.9815388437852943
Energy: 0.9243560823476368
Energy: 0.9481382619066633
Energy: 0.985982242534969
Energy: 0.950561936014277
Energy: 0.9567385295976075
Energy: 1.0929490260183137
Energy: 0.9947253616180023
Energy: 0.9772684157993443
Energy: 1.0286909191993825
Energy: 0.9277329115559201
Energy: 0.9245220524503251
Energy: 0.9609937886126789
Energy: 0.9354483715988765
Energy: 0.9728733890316005
Energy: 1.0582392767024829
Energy: 0.9478873758663194
Energy: 0.9852197719308454
Energy: 1.0148338130072971
Energy: 1.0072904710478123
Energy: 0.9923469958663115
Energy: 0.9705959237113785
Energy: 0.9492922367112933
Energy: 0.981508068717809
Energy: 0.9206071237207711
Energy: 0.9462952726078546
Energy: 0.973231629724686
Energy: 0.9570607330306553
Energy: 0.9690644744470603
Energy: 1.1029885744584254
Energy: 0.9902734459225928
Energy: 1.0253284390127526
Energy: 1.0237861606639491
Energy: 1.0172365994448371
Energy: 0.9818860879257156
Energy: 0.9642426419570211
Energy: 0.947341206130744
Energy: 0.9876016711486716
Energy: 0.924558077535922
Energy: 0.9336740105200718
Energy: 0.9281775314855597
Energy: 0.9464563953706159
Energy: 0.970270086538382
Energy: 1.0176368406235603
Energy: 0.9682282028165408
Energy: 1.0263137508145448
Energy: 0.9783324163317952
Energy: 0.9814424405102439
Energy: 0.9933505957396681
Energy: 0.921552986441363

minimum gb energy = 0.9150242960817065 eV
minimum distance =  2.30542924147029 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.0407091450677421
Energy: 0.958858653897528
Energy: 0.9936894297834393
Energy: 0.9516366920809387
Energy: 0.9807061002336512
Energy: 0.9793252270723085
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Energy: 1.0159543140250484
Energy: 0.9696667118003224
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Energy: 0.9476100962841524
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Energy: 1.0382890785154248
Energy: 0.9908845144114629
Energy: 0.9346478566543225
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Energy: 0.9326616090882666
Energy: 0.9242801222771768
Energy: 1.005394966817815
Energy: 1.039269690609227
Energy: 0.971938905720711
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Energy: 0.9416482367538495
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Energy: 0.98501038149501
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Energy: 0.9751005130119127
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Energy: 0.9553859026367801
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Energy: 0.9319454315570845
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Energy: 0.9657795834982588
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Energy: 0.9203360214562054
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Energy: 0.9337407459941638
Energy: 0.9367547438699501
Energy: 1.0015284998151428
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Energy: 0.9496107606962436
Energy: 0.9481493835576525
Energy: 0.9761408252378484
Energy: 1.003755772066879
Energy: 1.0734362612068047
Energy: 0.9836241673242493
Energy: 0.9653488664979181
Energy: 0.9317879784072198
Energy: 0.95022986133698
Energy: 0.9886841671546199
Energy: 0.9953758465430124
Energy: 1.1283169910748527
Energy: 0.9913741880859634
Energy: 0.952615865627936
Energy: 0.9457533969546422
Energy: 0.9267137054782917
Energy: 0.9302733645232618
Energy: 0.9880809722113493
Energy: 1.0067652695954497
Energy: 0.9595848679588406
Energy: 0.937968786334851
Energy: 0.9321933934941884
Energy: 0.9258805036937041
Energy: 0.9474659882893935
Energy: 1.0274877585548987
Energy: 0.9354229285867349
Energy: 1.0052863128742875
Energy: 0.9346865161478303
Energy: 0.9396755764761595
Energy: 0.9416602139162454
Energy: 0.9859834922185028
Energy: 0.9660063005901659
Energy: 0.9365237209861185
Energy: 0.9634144208535462
Energy: 0.9797967179854651
Energy: 0.9536230287351993
Energy: 0.9475674036004947
Energy: 1.049400799225324
Energy: 0.9899203567356869
Energy: 0.9659724970653002
Energy: 0.9939715164335476
Energy: 0.965830988572858
Energy: 0.9683723650949526
Energy: 0.9391488873898509
Energy: 0.9300865008013212
Energy: 0.9557229223168818
Energy: 0.9341942948191018
Energy: 0.9466439394545839
Energy: 0.999418391470737
Energy: 0.9619527892772387
Energy: 0.933610113168015
Energy: 0.9578378225514332
Energy: 0.934988973448093
Energy: 0.9404584639004241
Energy: 0.9679768917315236
Energy: 1.0073673047202574
Energy: 0.9589862106268906
Energy: 1.0327643532579935
Energy: 0.9656455755674647
Energy: 0.9580318780861169
Energy: 0.9444889820356419
Energy: 0.9723109665460065
Energy: 0.9631857636924057
Energy: 0.9511984668580107
Energy: 0.9381740658920605
Energy: 0.9978686448980443
Energy: 0.9581717080232967
Energy: 1.1281210165482556
Energy: 0.9943229640181347
Energy: 0.9304872661027341
Energy: 0.9732998759367838
Energy: 0.9575304585487002
Energy: 0.96662048811432
Energy: 1.0107651373322173
Energy: 0.9465907580507696
Energy: 0.9605512602483561
Energy: 0.9627984833111283
Energy: 0.9524939351635693
Energy: 0.9435879497152349
Energy: 0.940438063488591
Energy: 0.9637665703111914
Energy: 1.0889290847185262
Energy: 1.0075322467599759
Energy: 1.0253894723422279
Energy: 0.9601535341799148
Energy: 0.9271252843967285
Energy: 0.9462285757020932
Energy: 1.0263018230927243
Energy: 0.9367328605123715
Energy: 0.9574553704323546
Energy: 0.9362962068463411
Energy: 0.9486389910928662
Energy: 0.9315209448821482
Energy: 0.9365278461178268
Energy: 1.0347478341431713
Energy: 0.9417166924414749
Energy: 0.9744471834925809
Energy: 0.9306920445912109
Energy: 0.9606506051625989
Energy: 0.9240081726970737
Energy: 0.9307307761823383
Energy: 0.967909470297564
Energy: 0.9718696549102822
Energy: 0.9581199897455933
Energy: 0.9816440930042137
Energy: 0.9543831310011509
Energy: 0.9688333990120691
Energy: 1.0487412425646025
Energy: 0.9673761225412767
Energy: 0.9721416540253
Energy: 0.9711161893620455
Energy: 0.9730310893998259
Energy: 0.9515975558123536
Energy: 0.9728691484836364
Energy: 0.9472954404882986
Energy: 0.9622886448689474
Energy: 0.9476054205875566
Energy: 0.9491208971209536
Energy: 0.965316554623484
Energy: 0.9303140820440238
Energy: 0.9472639137246157
Energy: 0.942871660168141
Energy: 0.9694914518368974

minimum gb energy = 0.9203360214562054 eV
minimum distance =  2.26758505726395 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.9803972394214244
Energy: 0.9384016367301631
Energy: 1.0019475831387976
Energy: 0.9319096037164333
Energy: 1.0266442381086263
Energy: 0.9870881720068955
Energy: 0.9804034456192523
Energy: 0.9637749498696587
Energy: 0.9660872338545126
Energy: 0.9575603159439924
Energy: 0.9557543333233429
Energy: 0.9806849970080341
Energy: 0.9687053292339748
Energy: 0.9904447907831244
Energy: 0.9670646263707907
Energy: 0.9448393329318691
Energy: 0.9499815941118597
Energy: 1.0377623947862327
Energy: 0.9836395041998168
Energy: 0.961850595290909
Energy: 0.9542794150747597
Energy: 0.9660523284233176
Energy: 0.9807448437249373
Energy: 0.9711297615807886
Energy: 0.9621295717642024
Energy: 0.9956057931783907
Energy: 0.9631294702420841
Energy: 0.9837611016494651
Energy: 0.9714374210931491
Energy: 0.9444625708686486
Energy: 0.9828524784474596
Energy: 0.9853534557903175
Energy: 0.9716983676947959
Energy: 0.9724631916940919
Energy: 0.9946585564858017
Energy: 0.9425523977644943
Energy: 0.9285287589372694
Energy: 0.9594976630467194
Energy: 0.9463954938229433
Energy: 0.9466081363992267
Energy: 0.9389878722273077
Energy: 0.9979383642946604
Energy: 1.007732647100779
Energy: 0.9694150956745149
Energy: 1.017569127347183
Energy: 0.940197232839659
Energy: 0.9966826688288872
Energy: 0.9946297779707055
Energy: 1.0016316145911306
Energy: 0.9726830788769599
Energy: 0.9594583546796827
Energy: 0.9664527369898551
Energy: 0.968453036668479
Energy: 0.9920155994121198
Energy: 0.9479228067708113
Energy: 0.9913445539044
Energy: 0.952466865725157
Energy: 0.9439963359476184
Energy: 0.9616614751143427
Energy: 0.9394826071136348
Energy: 0.9607721819843024
Energy: 0.9720025758670251
Energy: 0.9495409051372208
Energy: 0.950374677730035
Energy: 0.9804014489811104
Energy: 0.9612282352025632
Energy: 1.07120411868908
Energy: 0.9739069417915703
Energy: 0.9653783561280679
Energy: 0.9787699498124545
Energy: 0.9762362416729063
Energy: 0.9810338025556633
Energy: 0.9631215787429839
Energy: 0.9825369950220629
Energy: 0.968886141866555
Energy: 0.9677461246189689
Energy: 0.976634279198361
Energy: 0.9555267513098209
Energy: 0.9480650908335854
Energy: 0.954890158815691
Energy: 0.9495550323831978
Energy: 0.9717956255163319
Energy: 0.9343980291267032
Energy: 0.9904568997238437
Energy: 0.9991535627070528
Energy: 1.0525913270748495
Energy: 0.9846492625448378
Energy: 0.9281792088057643
Energy: 1.0056703822805637
Energy: 0.9503232302169006
Energy: 0.9960622243879388
Energy: 0.9703794226466788
Energy: 0.9856694781964517
Energy: 0.9982317081578028
Energy: 1.0135712922909357
Energy: 1.0376945314276111
Energy: 0.9992900557746408
Energy: 1.0216229297796422
Energy: 0.9310961363221415
Energy: 0.9352402134219416
Energy: 0.9742588226916566
Energy: 0.9935347730627645
Energy: 0.9655367599114516
Energy: 0.9565736270565446
Energy: 0.9459519649368004
Energy: 0.9527099919677717
Energy: 0.9686115758480283
Energy: 0.952213950823672
Energy: 0.9354794907555402
Energy: 0.9845239954910042
Energy: 0.9502147598796299
Energy: 0.9742152426131978
Energy: 0.9809354788761536
Energy: 0.9702797239870741
Energy: 0.9566143857228989
Energy: 0.9673153514438921
Energy: 0.9686634082977795
Energy: 0.9576413890093121
Energy: 0.9612669894893074
Energy: 0.9334902421559645
Energy: 0.9686462289967518
Energy: 0.9550591800724463
Energy: 0.9643642391159263
Energy: 0.9694602732986188
Energy: 0.9145029633966409
Energy: 0.9547317084231336
Energy: 1.0207534524468818
Energy: 0.9794043270236678
Energy: 0.9463069020973239
Energy: 1.0218054019750429
Energy: 0.9577326852047846
Energy: 0.9533211905283919
Energy: 0.9752027287528628
Energy: 1.0308944745736848
Energy: 0.9905631677782485
Energy: 0.9660222038878343
Energy: 1.0085857675373386
Energy: 1.0502517372446056
Energy: 0.9829535870070097
Energy: 1.0247288849545952
Energy: 0.9758260938869296
Energy: 0.9974133955565312
Energy: 0.937847419940857
Energy: 0.9924121192111722
Energy: 0.975611418816123
Energy: 0.9503034600240352
Energy: 0.9720219762297536
Energy: 0.9597778461942658
Energy: 0.968892589230617
Energy: 0.9784233948015522
Energy: 0.9570100253516223
Energy: 0.9836323610924563
Energy: 0.939484112384024
Energy: 0.9849459617819852
Energy: 0.9628290703468241
Energy: 0.9948585539105668
Energy: 1.0099844025754983
Energy: 1.0083091230966659
Energy: 0.9706756119935304
Energy: 0.9688341224003543
Energy: 0.9845341778501395
Energy: 1.0000619972424907
Energy: 0.9841523192573243
Energy: 0.9535192487964526
Energy: 0.9472131222430047
Energy: 0.9565109609800612
Energy: 0.9341120541026204
Energy: 0.974853170134011
Energy: 0.9744136684249568
Energy: 0.9433516650413376
Energy: 1.0236928254496678
Energy: 0.9764430684463244
Energy: 0.9710561880659259
Energy: 0.9495339260483845
Energy: 0.9487682536751031
Energy: 0.9771477450110634
Energy: 0.9567383588907808
Energy: 0.9804870030036786
Energy: 1.0553792671233497
Energy: 1.0340481546015274
Energy: 1.0310203104904263
Energy: 0.9863626101299282
Energy: 1.0021048788572686
Energy: 0.9788667968297192
Energy: 0.9578967078473063
Energy: 0.9452168237578418
Energy: 0.943955870559738
Energy: 0.9683919855574563
Energy: 0.9664980706623858
Energy: 0.9627445869017672
Energy: 0.9955464466927888
Energy: 0.959250580767203
Energy: 0.9689486554822287
Energy: 1.0032914578567393
Energy: 0.9577714102899251
Energy: 0.9969320789733966
Energy: 0.9676538127878628
Energy: 0.9769901486414165
Energy: 0.9841030212005728
Energy: 0.9789646126538175
Energy: 0.9617427759752574
Energy: 0.9616728198377156
Energy: 1.0071788629247096
Energy: 0.9455721027750744
Energy: 0.9668953776816306
Energy: 1.018388453892093
Energy: 0.9467925102556205
Energy: 0.9700461485230445
Energy: 0.9596226356017025
Energy: 0.973123762928616
Energy: 1.0024503953143933
Energy: 0.9612417912894625
Energy: 0.9601525467495693
Energy: 0.9813250202353374
Energy: 0.9597066943521936
Energy: 0.9410940413747747
Energy: 0.9549203078139962
Energy: 0.9709722083300469
Energy: 0.9825956873400881
Energy: 0.9815839379746886
Energy: 1.0694212294929697
Energy: 1.0357830496856872
Energy: 0.9733472024316947
Energy: 1.0775145215525583
Energy: 0.9831020272536006
Energy: 0.9780049259966401
Energy: 0.9737957865907276
Energy: 0.9571405272146493
Energy: 0.9578258856850382
Energy: 0.961335412530641
Energy: 0.9829371572459343
Energy: 0.9784377348150772
Energy: 0.9305704815300321
Energy: 0.9784739981826073
Energy: 0.9567764845048637
Energy: 0.9846209158133821
Energy: 0.9597487153961929
Energy: 0.9799909598786718
Energy: 0.9646775143862236
Energy: 0.9452218593717852
Energy: 0.9713859645025613
Energy: 0.967734299121765
Energy: 0.9800574208491297
Energy: 0.9573003545865048
Energy: 0.9699432462022878
Energy: 0.9809586629261591
Energy: 1.0199046975518835
Energy: 1.0017595783448845
Energy: 1.0214726550835245
Energy: 0.9589996573207218
Energy: 0.9728268715396257
Energy: 1.010895360214541

minimum gb energy = 0.9145029633966409 eV
minimum distance =  2.29027458773487 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.8919182775132918
Energy: 0.9023979934280874
Energy: 1.2133550315993362
Energy: 1.0909111308918564
Energy: 0.963829717007859
Energy: 1.0062347045594489
Energy: 0.8792016478386078
Energy: 0.8828044179898611
Energy: 0.9639912234117927
Energy: 1.0083956532428453
Energy: 0.9813554399540421
Energy: 0.9322677620371003
Energy: 0.9436488783145531
Energy: 0.9477396898476864
Energy: 0.9487366653758025
Energy: 0.9212687919031483
Energy: 0.9303305686659399
Energy: 0.9683335863887522
Energy: 0.9318241778412754
Energy: 0.9452371027400279
Energy: 0.9434653617365144
Energy: 0.9416434814515825
Energy: 0.9185402325432992
Energy: 1.0048046392824121
Energy: 0.9372475125788468
Energy: 0.9662459908896628
Energy: 0.932572608909475
Energy: 0.9904215815104943
Energy: 0.9465445260803779
Energy: 0.9305919884106388
Energy: 1.0016686798386951
Energy: 0.9332514841596675
Energy: 0.973957498176986
Energy: 1.0054701552396628
Energy: 0.9471669865014515
Energy: 0.8787601588307918
Energy: 0.9318452190607979
Energy: 0.9309498364203087
Energy: 0.9190985655882535
Energy: 0.9662462138431427
Energy: 0.9611051731483717
Energy: 0.944823273983736
Energy: 0.9427555601560554
Energy: 0.9529528339482675
Energy: 0.9286311514690934
Energy: 0.9508321982011012
Energy: 0.8810629239635974
Energy: 0.8826107755435013
Energy: 0.9482037505849984
Energy: 0.8810515855678077
Energy: 0.9689738705927733
Energy: 1.0183042357726164
Energy: 0.9213243678985632
Energy: 1.0145915007311788
Energy: 0.9296134023587221
Energy: 0.9424910697408743
Energy: 0.8809828024435855
Energy: 0.9685459563647506
Energy: 1.001268727607518
Energy: 0.9220100750372597
Energy: 0.9299862229327824
Energy: 0.9301235414109484
Energy: 1.0289358836980846
Energy: 0.9420045000212555
Energy: 0.9558978150429562
Energy: 0.9341877609026348
Energy: 0.9665036007104689
Energy: 0.9324896901087422
Energy: 0.9422191463162729
Energy: 0.9431198800193451
Energy: 0.9423555086473179
Energy: 0.921335771024316
Energy: 0.933215818634524
Energy: 0.9204117201417832
Energy: 0.9303693042472827
Energy: 0.9460408858534424
Energy: 0.9927305108016434
Energy: 0.9556965927879632
Energy: 0.9298421563249099
Energy: 0.9964505436915427
Energy: 0.9214341968821845
Energy: 0.9817124489896535
Energy: 0.9336141872312429
Energy: 0.948853841526448
Energy: 0.880294109418787
Energy: 0.9308345186187567
Energy: 1.0163514057143603
Energy: 0.9343226436004509
Energy: 1.0008371538532814
Energy: 0.9354082429877736
Energy: 0.9438352222749407
Energy: 0.9422019416054463
Energy: 0.9203076624358292
Energy: 0.9308856249259242
Energy: 0.9798801249394076
Energy: 0.8789751197477591
Energy: 0.8804929083681359
Energy: 0.9550298875728717
Energy: 0.8896563229233212
Energy: 0.9516756812233823
Energy: 0.9302615517314612
Energy: 0.9765097773595214
Energy: 0.8789797263654857
Energy: 0.8802168506998412
Energy: 0.9512711582061305
Energy: 0.8798473948467675
Energy: 0.9324261876145588
Energy: 0.9711122173145842
Energy: 0.9335368505668847
Energy: 0.96316340820442
Energy: 1.0060313157610377
Energy: 0.8793435103433227
Energy: 0.9444852668101765
Energy: 0.96391313974574
Energy: 1.0082025944764716
Energy: 0.9815325446760237
Energy: 0.9320725223720311
Energy: 0.9439007126892054
Energy: 0.9471865443682386
Energy: 0.9437256752226718
Energy: 0.9239205983103265
Energy: 0.9306169587314401
Energy: 0.9681715462511843
Energy: 0.9319894602474438
Energy: 0.945139376801331
Energy: 0.943448539982819
Energy: 0.9417328297493175
Energy: 0.9382195587902468
Energy: 1.0042908498057772
Energy: 0.9372062495251123
Energy: 0.990737802964574
Energy: 0.9327384778044439
Energy: 1.000031596850699
Energy: 0.9460703088923498
Energy: 0.9302657370381067
Energy: 1.0018994618758668
Energy: 0.9332429270265721
Energy: 0.9743675968074105
Energy: 1.0061557757553454
Energy: 0.9429788664423865
Energy: 0.8785224514320366
Energy: 0.9320084435317919
Energy: 0.9309921903315079
Energy: 0.9195426897257513
Energy: 0.9652788444485332
Energy: 0.8793537593751799
Energy: 0.9499105305659624
Energy: 0.9424086515580705
Energy: 0.9529906678898308
Energy: 0.9284102573493722
Energy: 0.9517906431743232
Energy: 0.8810328704610854
Energy: 0.8826409127504844
Energy: 0.947365487206216
Energy: 0.8806447048413055
Energy: 0.9688261349713898
Energy: 1.0197215920837515
Energy: 0.9214944328803035
Energy: 1.0138047498494598
Energy: 0.9417049009631944
Energy: 0.9426219771093619
Energy: 0.8813844156430165
Energy: 0.9680682710007846
Energy: 1.0017919562274167
Energy: 0.9220487949886482
Energy: 0.9299819017272731
Energy: 0.9312661970675653
Energy: 0.9496267377529183
Energy: 0.9422637063603312
Energy: 0.954775462008888
Energy: 0.9339160682841492
Energy: 0.9665858617285882
Energy: 0.9325758474792587
Energy: 0.9421902012822326
Energy: 0.9432535658152162
Energy: 0.9425322910272828
Energy: 0.9213704347734738
Energy: 0.9332784734192794
Energy: 0.9204501502755034
Energy: 0.9309576034614022
Energy: 0.9307275968119393
Energy: 0.9930520939096005
Energy: 0.9562186392097797
Energy: 0.9310854179591077
Energy: 0.9974839510063165
Energy: 0.921600255023787
Energy: 0.9815821258866584
Energy: 0.9307442670963483
Energy: 0.9487398487391809
Energy: 0.8806901701437819
Energy: 0.9310381508783039
Energy: 1.0161635506243443
Energy: 0.934600353386783
Energy: 1.0011024857272248
Energy: 0.9312943047788976
Energy: 0.9438583547409272
Energy: 0.9425140951207963
Energy: 0.9200063774824274
Energy: 0.9304835032025042
Energy: 1.0391404093743843
Energy: 0.8789570549971113
Energy: 0.880184085989903
Energy: 0.9552634494685458
Energy: 0.8787896264451509
Energy: 0.9517143538033229
Energy: 0.9306414736773841
Energy: 0.9189059010116873
Energy: 0.8789803972023755
Energy: 0.8799859328823955
Energy: 0.9518611595572902

minimum gb energy = 0.8785224514320366 eV
minimum distance =  2.30221751618716 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.1962744561371323
Energy: 1.0364381900379107
Energy: 1.050800351139773
Energy: 1.270834409003937
Energy: 0.9999101764298791
Energy: 0.9624516951783938
Energy: 1.071756137129841
Energy: 0.9649451978971684
Energy: 0.9200855502551343
Energy: 1.0095167343789062
Energy: 0.9619785432805693
Energy: 0.9014458639400087
Energy: 1.0623658904612763
Energy: 0.9622799293086787
Energy: 0.943970183823142
Energy: 0.9532575330454807
Energy: 0.9603894438124547
Energy: 0.94739144915702
Energy: 1.025850369126151
Energy: 0.9469861806305265
Energy: 0.9406951335658903
Energy: 1.1370470110786894
Energy: 0.964175675804371
Energy: 0.9831112643640287
Energy: 0.9557572127784592
Energy: 0.8911315343733379
Energy: 0.9420919371603589
Energy: 0.9970379181683084
Energy: 0.9448362574821518
Energy: 0.9173946956677727
Energy: 0.9571848742610743
Energy: 0.9121714454370722
Energy: 0.9059083130503178
Energy: 0.947925850804294
Energy: 0.9497400095835862
Energy: 0.9060680817284064
Energy: 0.9204599437023339
Energy: 0.9906556298563179
Energy: 0.8653132765884065
Energy: 0.9430947462668946
Energy: 0.9289383146965579
Energy: 0.9477277253724644
Energy: 1.0439715756553385
Energy: 0.9461694121140418
Energy: 0.9744386658460982
Energy: 0.95544577084016
Energy: 0.9246396187952163
Energy: 0.9160338498658375
Energy: 0.9368797250819212
Energy: 0.9315755435038369
Energy: 0.9354197432338354
Energy: 0.9597673819800401
Energy: 0.9695633735145941
Energy: 0.9125083283020567
Energy: 0.95108701038982
Energy: 0.9537912004322417
Energy: 0.9407268052104143
Energy: 0.9626188618398458
Energy: 0.9756654514539321
Energy: 0.9545482543860545
Energy: 0.9095388373742598
Energy: 1.1048957844209202
Energy: 0.9173876845942758
Energy: 1.101458659224327
Energy: 1.0241571052796143
Energy: 1.0336968506826534
Energy: 0.9505998252936355
Energy: 0.9731026149869347
Energy: 0.973693636060737
Energy: 1.0811791404739641
Energy: 0.9417673216794085
Energy: 0.9880490444900981
Energy: 0.9466567325907518
Energy: 1.004980533311458
Energy: 0.9440891637504552
Energy: 1.0524127241972137
Energy: 0.925866549138907
Energy: 0.9410839043881635
Energy: 0.9989211055751406
Energy: 1.0601865771615073
Energy: 0.9458317060787094
Energy: 1.0249448489985773
Energy: 1.0334341147035373
Energy: 0.963138885157702
Energy: 1.1008354694185696
Energy: 0.995151506789453
Energy: 1.032589261118102
Energy: 0.9543849423619205
Energy: 0.9169814917685822
Energy: 1.0399237750920176
Energy: 0.9944721502058291
Energy: 1.0975650751450907
Energy: 0.9069623029461149
Energy: 0.9335213449364248
Energy: 0.9836926704792475
Energy: 0.9696377186452624
Energy: 0.9323622337503722
Energy: 0.9507358919017295
Energy: 0.9412798710609759
Energy: 0.9307154217684448
Energy: 1.0346072882174473
Energy: 1.016330610346668
Energy: 0.9576112743635347
Energy: 0.9360977152747895
Energy: 0.9489107101084094
Energy: 1.108529197074599
Energy: 0.966188960033152
Energy: 0.9244039041637803
Energy: 0.96358622890338
Energy: 0.9231769369112489
Energy: 0.9583267684885719
Energy: 0.9678080945187387
Energy: 0.9482943845590528
Energy: 0.9791647318530616
Energy: 0.926885072233161
Energy: 0.856610624551053
Energy: 0.9060337449160439
Energy: 0.9827111467462759
Energy: 0.982840212609242
Energy: 0.9057626839590264
Energy: 0.9181349988948263
Energy: 0.997752007337112
Energy: 0.9081059031289878
Energy: 0.9052578511123888
Energy: 0.9611601646543741
Energy: 0.9268894717287777
Energy: 0.9604047057077268
Energy: 0.9098968787795559
Energy: 0.9283582795248967
Energy: 0.925974269995667
Energy: 0.9409403267575969
Energy: 0.9124942070356782
Energy: 0.9540242521502829
Energy: 0.9838027166856866
Energy: 0.9513726976611577
Energy: 0.9563836332744027
Energy: 0.9995985731037691
Energy: 0.9006663319850934
Energy: 0.999114325626086
Energy: 0.9355351332137136
Energy: 0.9321801982219912
Energy: 0.9379411272197734
Energy: 0.9953542808939422
Energy: 1.1106026853166402
Energy: 0.9257498628007692
Energy: 0.9403403228838076
Energy: 0.95946928709172
Energy: 1.0825019445409423
Energy: 1.0923539787779
Energy: 0.9469626688417409
Energy: 0.9672258679410942
Energy: 0.9510803818688622
Energy: 0.9842406658309915
Energy: 0.9461460538844831
Energy: 1.1449487852194797
Energy: 0.9494261090942552
Energy: 1.1059956097957668
Energy: 0.9449711056007681
Energy: 1.0128454144171342
Energy: 0.9756251602649012
Energy: 0.9569072462867548
Energy: 0.9437510458467495
Energy: 1.008978650608266
Energy: 1.0088682774827067
Energy: 1.0014164619725872
Energy: 1.1257006590171734
Energy: 1.1389023700709338
Energy: 1.0137285672985334
Energy: 1.0250333833295708
Energy: 0.9777597930121339
Energy: 0.9043299496589754
Energy: 1.0118229880109748
Energy: 0.9430829939146169
Energy: 1.0751283103880027
Energy: 0.9521652044139202

minimum gb energy = 0.856610624551053 eV
minimum distance =  2.31297089953389 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.1442873627327783
Energy: 1.0030795919641333
Energy: 1.1942255829901667
Energy: 1.2261354575478547
Energy: 1.1090322342483843
Energy: 1.1027903088533622
Energy: 1.1016256177503527
Energy: 1.096260755571582
Energy: 0.9509418924512191
Energy: 1.1285561693499433
Energy: 1.0041531148913012
Energy: 1.0627620023019846
Energy: 1.1835806177234105
Energy: 1.060258409941591
Energy: 1.0712318336983013
Energy: 1.0799913374584356
Energy: 1.0806809266837698
Energy: 1.0613117528203608
Energy: 1.1468599868184874
Energy: 1.0518821573763968
Energy: 0.9728331957157993
Energy: 1.1135139359069786
Energy: 1.007991146253252
Energy: 1.067797276151354
Energy: 1.132062047237779
Energy: 1.1560492804038596
Energy: 1.119545892782498
Energy: 1.1254357536974302
Energy: 0.9463323656722696
Energy: 1.0337211610451507
Energy: 1.072710682684206
Energy: 1.0000473318150003
Energy: 0.9832598436215455
Energy: 0.9783588578911483
Energy: 1.0359300198974948
Energy: 0.9890224054905491
Energy: 1.0180755286746201
Energy: 1.0294482382882788
Energy: 0.9834176174811583
Energy: 1.0322586420136688
Energy: 1.0411921585494857
Energy: 1.04119429938844
Energy: 1.0099636148021056
Energy: 0.9440041726561627
Energy: 1.0957657522171744
Energy: 1.0192176851475978
Energy: 1.0178162306692635
Energy: 1.034749709975018
Energy: 0.9943538555803841
Energy: 0.965741254573096
Energy: 0.9584522201807509
Energy: 0.9596948896437625
Energy: 0.9473041780692875
Energy: 1.0190329831200364
Energy: 0.9530379993702633
Energy: 0.9561462746990019
Energy: 0.9226298660015929
Energy: 1.0072722125055025
Energy: 1.000578373650337
Energy: 0.9101769708368191
Energy: 1.0151493836101617
Energy: 1.1401385280082865
Energy: 1.0324326225151785
Energy: 1.0645629237467413
Energy: 0.9485203395604614
Energy: 1.0765264191797375
Energy: 0.9261111828912509
Energy: 0.9423284175804993
Energy: 0.9729610068375888
Energy: 0.9765637560434196
Energy: 0.9898306877399661
Energy: 0.9388358779848294
Energy: 0.9493455106308182
Energy: 0.9337213016720496
Energy: 0.9483266150477234
Energy: 0.9993475628910321
Energy: 0.935611519812952
Energy: 0.9394662993300045
Energy: 0.9197659202426556
Energy: 1.0409484287562887
Energy: 0.9855678555210724
Energy: 0.9460858523283276
Energy: 1.0402542590904817
Energy: 1.0981029076512665
Energy: 0.9991967705246653
Energy: 0.9176168184033716
Energy: 1.0015029143290834
Energy: 0.9820004478153417
Energy: 0.9888106731211189
Energy: 0.950365903787722
Energy: 0.9156655727431332
Energy: 1.0234341898702868
Energy: 0.9580747254244065
Energy: 1.0165403865671467
Energy: 0.9198095712035054
Energy: 0.9285845360336402
Energy: 1.059045745060618
Energy: 0.9549143507515231
Energy: 0.9634419519130962
Energy: 1.0109185074197278
Energy: 1.0988001604251516
Energy: 0.9867604670136921
Energy: 0.9952254833770507
Energy: 1.036632196695635
Energy: 1.0774062448587192
Energy: 0.9120007459312813
Energy: 1.0312897640563559
Energy: 1.0229581741553637
Energy: 1.0095228984612028
Energy: 0.9330697544894284
Energy: 1.0251718549518807
Energy: 1.040493973658549
Energy: 1.0057025604475005
Energy: 1.0469385279758905
Energy: 1.032977182842507
Energy: 1.0812972466416129
Energy: 1.076438378035609
Energy: 1.1181002789373433
Energy: 1.040500672624877
Energy: 1.0037631450728477
Energy: 1.0550581580047074
Energy: 1.0489662675925457
Energy: 1.0134712461601374
Energy: 1.0841597174450184
Energy: 1.0391918745657596
Energy: 0.9927694042958057
Energy: 1.0602144783801877
Energy: 1.1044662118995576
Energy: 1.0220548616842866
Energy: 0.9510044400735245
Energy: 0.9356227873776594
Energy: 0.9765489350800624
Energy: 1.0152777437347877
Energy: 1.0993762355069554
Energy: 0.9771420903224535
Energy: 1.1241399086606074
Energy: 1.1976147543345232
Energy: 1.155049846301811
Energy: 1.1174738067752923
Energy: 1.0862063738991061
Energy: 1.190589567276205
Energy: 0.9583989700211091
Energy: 1.0398360928980064
Energy: 1.071892636198506
Energy: 1.0792390395481404
Energy: 1.1074132711672868
Energy: 1.027460504163308
Energy: 1.0379375906065065
Energy: 0.9862281088035451
Energy: 1.0756675930476816
Energy: 1.0977936065350957
Energy: 1.128358408628332
Energy: 1.1135420148137798
Energy: 1.0863864066928481
Energy: 1.096456146127069
Energy: 1.1021038722864378
Energy: 1.123470720602269
Energy: 1.1911342299654801
Energy: 1.14536665214372
Energy: 1.124080155284332
Energy: 0.9818931208943839
Energy: 1.041197052364475
Energy: 1.0990783258527879
Energy: 1.0608863434229054
Energy: 0.9540176011306333
Energy: 0.9537887754542294
Energy: 1.1333740892925432
Energy: 1.0940068945849228
Energy: 1.0101720928522855
Energy: 0.9510925466448724
Energy: 1.0792252528719668
Energy: 1.1012365085075584
Energy: 1.07911590753236
Energy: 1.057802975228819
Energy: 1.0413632036970382
Energy: 1.1032728900266509
Energy: 1.1085921078638277
Energy: 1.056298072941721
Energy: 1.105020288205215
Energy: 1.1605461982838003
Energy: 1.121815375026961
Energy: 1.047804321182278
Energy: 0.8883609613776804
Energy: 0.977842693019493
Energy: 1.0751159448469607
Energy: 0.9933095450114207
Energy: 1.0197097218840645
Energy: 1.0833085389936434
Energy: 1.0410148434810105
Energy: 0.9892050709698573
Energy: 1.0163199064983286
Energy: 1.1090532470830368
Energy: 0.9429948330632603
Energy: 1.019285322767584
Energy: 1.058449400715089
Energy: 0.9878980780802629
Energy: 1.0063142546920634
Energy: 0.95098271630663
Energy: 1.038498379652778
Energy: 1.0065765222336134
Energy: 0.9301720902854971
Energy: 1.036029403460387
Energy: 1.0125628403299312
Energy: 0.9563506724178059
Energy: 0.9430883742945695
Energy: 1.024799102783807
Energy: 0.9342097207166911
Energy: 0.9430115236886498
Energy: 0.9514813297391438
Energy: 0.9551847417679088
Energy: 0.927307111547866
Energy: 0.9518136635631088
Energy: 1.0200241663125438
Energy: 0.9624778233432456
Energy: 1.0304141585606426
Energy: 1.0608226092288324
Energy: 1.0177808867947646
Energy: 1.0138686833456163
Energy: 0.946721864033177
Energy: 1.0111073995012005
Energy: 0.919960578468161
Energy: 0.9273693830642945
Energy: 0.9518665010981611
Energy: 0.9233380113062579
Energy: 0.9921497816537304
Energy: 0.9525160832607489
Energy: 0.9335479807097986
Energy: 0.919798262464448
Energy: 0.9635057177961648
Energy: 0.991124659911376
Energy: 0.945313657901496
Energy: 0.9501095539792204
Energy: 0.9198264190254735
Energy: 1.0400229662782665
Energy: 1.0254723912476165
Energy: 1.0397324692565089
Energy: 1.0703013956362297
Energy: 0.9414430360762349
Energy: 0.9117378360015364
Energy: 0.917872614050149
Energy: 0.9828550606125127
Energy: 0.9129569645972112
Energy: 0.9869456119392218
Energy: 0.9271869302465447
Energy: 0.9323311353617424
Energy: 1.0220590601201667
Energy: 0.9264805997117533
Energy: 1.0047573134151222
Energy: 0.987315322530036
Energy: 0.9469483516370057
Energy: 1.0494818109547794
Energy: 0.9692050501563505
Energy: 0.9627299086068926
Energy: 0.9727537415987938
Energy: 1.077435821070696
Energy: 0.915481149663465
Energy: 0.9721127027641475
Energy: 1.0358809429025733
Energy: 0.9515844152134395
Energy: 0.9133410243356193
Energy: 0.9733174288303407
Energy: 1.0418757867512818
Energy: 0.9959206521440269
Energy: 0.9312832322738454
Energy: 0.9839658733112637
Energy: 1.0175048921782468
Energy: 1.0726463912013808
Energy: 1.0831018713339478
Energy: 1.032670796390537
Energy: 1.1083806715949862
Energy: 1.041194813529791
Energy: 1.0564227444654009
Energy: 1.0158262362581891
Energy: 1.0045051148961923
Energy: 1.027688444616538
Energy: 1.0681601970127652
Energy: 1.0825563170902164
Energy: 1.1087312259753201
Energy: 1.051015917746987
Energy: 0.9734069709129909
Energy: 1.056609652397072
Energy: 1.105985237252775
Energy: 1.1131837880249342
Energy: 0.9920667428485044
Energy: 0.9979076018150854
Energy: 0.9506264989489457
Energy: 0.9776874399026163
Energy: 1.1114279766548012
Energy: 1.1334631906169699
Energy: 1.1339241427510751
Energy: 1.2037369180806559
Energy: 1.1607391073359103
Energy: 1.1160416832764892
Energy: 1.0612535549182394
Energy: 1.0252162694908424
Energy: 0.9655038349990954
Energy: 1.0241582439820591
Energy: 1.0492590265379715
Energy: 1.1287550385978915
Energy: 1.0890606819542785
Energy: 1.0094687205581288
Energy: 1.1982840350335755
Energy: 1.114232303623633
Energy: 1.074758327183047
Energy: 1.0930156018179813
Energy: 1.0914978426711508
Energy: 1.103902423370283
Energy: 1.0963495457583972
Energy: 1.1071273921145326
Energy: 1.0047977426054149
Energy: 1.1295406239339663
Energy: 1.1700356437728616
Energy: 1.0593647482126058
Energy: 1.1059483231650509
Energy: 0.9927317620267991

minimum gb energy = 0.8883609613776804 eV
minimum distance =  2.26005449649066 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.9785328315625833
Energy: 0.9418057052865452
Energy: 0.8869017058184945
Energy: 0.8856931946411207
Energy: 0.8861145489198761
Energy: 0.8865889491218689
Energy: 0.9427129502437503
Energy: 0.9817094699004516
Energy: 1.072896335501596
Energy: 0.9420272299647984
Energy: 0.8864348302246724
Energy: 0.8874063678136324
Energy: 0.8858996826235095
Energy: 1.0727931057239473
Energy: 0.9440022733714637
Energy: 1.0747348079922892
Energy: 0.8864577596044408
Energy: 0.8862080173035292
Energy: 0.8857104930258487
Energy: 0.8869176937545313
Energy: 0.8858297300928017
Energy: 0.9452409465868555
Energy: 1.073385417406368
Energy: 0.8860881011755016
Energy: 0.8848852773994077
Energy: 0.8846344107892287
Energy: 0.8862473683397216
Energy: 0.9471593266722869
Energy: 0.9808188931280075
Energy: 1.073555931149732
Energy: 0.9418798343599877
Energy: 1.0731833434771756
Energy: 0.8876839742604237
Energy: 0.9421468402539251
Energy: 1.074131310476514
Energy: 0.9496447651728817
Energy: 1.072377323532276
Energy: 0.8855406443998141
Energy: 0.8862024290888311
Energy: 0.885030347538069
Energy: 0.8848823811225697
Energy: 0.9434047822252006
Energy: 0.9440283353137578
Energy: 1.0725268284926208
Energy: 0.9402669799378494
Energy: 0.8870945937281487
Energy: 0.8868737812699035
Energy: 0.8854638708175134
Energy: 1.0722229821962548
Energy: 0.9437273419922553
Energy: 1.0717344035908718
Energy: 0.9385879830689059
Energy: 0.8866047321049146
Energy: 0.8868791148924245
Energy: 0.887009228300668
Energy: 1.072775051074574
Energy: 0.9473644263196728
Energy: 1.0724945679209401
Energy: 0.8862332084320838
Energy: 0.884853155874558
Energy: 0.8847249318308299
Energy: 0.8854803993269424
Energy: 0.9445178109984423
Energy: 0.9806598124564742
Energy: 1.0748235121909084
Energy: 0.9418816233726434
Energy: 1.1329677672015512
Energy: 1.1345562242499527
Energy: 0.9420476153732504
Energy: 1.0747061496308354
Energy: 0.9465128600028203
Energy: 1.073261928057935
Energy: 0.8860886851837895
Energy: 0.8847489164711028
Energy: 0.8846413863780925
Energy: 0.8853278046971312
Energy: 0.9448906202927495
Energy: 0.9437536937237295
Energy: 1.0722146864427082
Energy: 0.9378036480176511
Energy: 0.8862617055737425
Energy: 0.8866421613580876
Energy: 0.8870565019222425
Energy: 1.0722132664680022
Energy: 0.9443963077447591
Energy: 1.0734732049947187
Energy: 0.9409081950597324
Energy: 0.8872245860629586
Energy: 0.8879266561110845
Energy: 0.8854556665197677
Energy: 1.0727066664275253
Energy: 0.9471377102328407
Energy: 1.0727972800374441
Energy: 0.8849561040352467
Energy: 0.8854326093775698
Energy: 0.8844991493069373
Energy: 0.8849012025848645
Energy: 0.942731556389672
Energy: 0.98104137447984
Energy: 1.0734205787108664
Energy: 0.9418901625459262
Energy: 0.886250932685028
Energy: 0.8871518164500749
Energy: 0.9378793624823684
Energy: 1.0734937657640227
Energy: 0.9445521290767477
Energy: 1.073002386169418
Energy: 0.8864024468992192
Energy: 0.8846838483478514
Energy: 0.885511134698556
Energy: 0.8865612520539736
Energy: 0.9490970156966266
Energy: 0.944310926875986
Energy: 1.0736900822354223
Energy: 0.8864756743436523
Energy: 0.885243076079866
Energy: 0.8851007964869828
Energy: 0.8867086441822684
Energy: 0.886501534172823
Energy: 0.9812785884573483
Energy: 1.073033139920453
Energy: 0.9385266294748174
Energy: 0.886415654763343
Energy: 0.8869122616201854
Energy: 0.9368407950524446
Energy: 1.0739458099205652
Energy: 0.948019428347953
Energy: 1.0742892756762958
Energy: 0.8849396048985678
Energy: 0.8859987617979241
Energy: 0.8861878999951444
Energy: 0.8851752990010684
Energy: 0.9429624302477231
Energy: 0.9449009146052129
Energy: 1.0727186828386361
Energy: 0.9414508597370095
Energy: 0.8877194436099657
Energy: 0.8871389923240083
Energy: 0.8858692275612613
Energy: 1.072727414285493

minimum gb energy = 0.8844991493069373 eV
minimum distance =  2.36623652402712 Angstroms
sigma value = 23