Model name: model_name=EAM_Dynamo_GolaPastewka_2018_CuAu__MO_426403318662_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0687795132398605
cohesive_energy=3.92492861332292
mass=196.9665
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=[1.12213247092092e-19, 1.8597745932145197e-19, 2.3821803064965597e-19, 2.85562350184356e-19, 3.3062517019224e-19, 3.6983844330938997e-19, 4.0327907401423796e-19, 4.3302668757771594e-19, 4.59791048248686e-19, 4.840271741912039e-19, 5.064816797167139e-19, 5.2677164460969e-19, 5.444052006434939e-19, 5.60439784396566e-19, 5.74659102023316e-19, 5.86707470310996e-19, 5.96735493863202e-19, 6.051084689524859e-19, 6.12108378666432e-19, 6.179835603833099e-19, 6.227308097498519e-19, 6.26104993741056e-19, 6.28123736299896e-19, 6.28793446132908e-19, 6.2809169276721595e-19, 6.2585024765625e-19, 6.2178872988906e-19, 6.153656037633539e-19, 6.05784587492034e-19, 5.922606145244399e-19, 5.73946133421186e-19, 5.502611562407639e-19, 5.20407799019442e-19, 4.832260858742039e-19, 4.36557884879052e-19, 3.7654034816941197e-19, 2.98807544417634e-19, 1.99105694660448e-19, 7.351090810352459e-20, -8.49637473363468e-20, -2.8274091713188196e-19, -5.28062998976694e-19, -8.4528435944889e-19, -1.270868936561676e-18, -1.85649013111482e-18, -2.6715494283632994e-18, -3.803567329115999e-18, -5.375238520004639e-18, -7.65379004181408e-18, -1.1115228572505719e-17, -1.65498437585664e-17, -2.4993154402083e-17, -3.914918605179e-17, -6.43240272841686e-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: -1.68098410881603e-21 eV

========================================
theta = 0.0
========================================

Energy: 0.013519841277362178
Energy: 0.07588455356080169
Energy: 0.07538725849748583
Energy: 0.07518971012797464
Energy: 0.015937741537663547
Energy: 0.014632964429477853
Energy: 0.07544374092361668
Energy: 0.07589062323098313
Energy: 0.07443985807424792
Energy: 0.015513209218920005
Energy: 0.07768202323614345
Energy: 0.07884610937023509
Energy: 0.07576855243919797
Energy: 0.07646036626125212
Energy: 0.07662238750269024
Energy: 0.07421908808584873
Energy: 0.0790544615639535
Energy: 0.07574195138266522
Energy: 0.07716684855149882
Energy: 0.07930592892044384
Energy: 0.07730384764050915
Energy: 0.016209113929138146
Energy: 0.013843103745191467
Energy: 0.07447219759711934
Energy: 0.07448129782362586
Energy: 0.07903031879871082
Energy: 0.015527192900511456
Energy: 0.013810220309250205
Energy: 0.07422154297713425
Energy: 0.0751688520075835
Energy: 0.07562874286652445
Energy: 0.0148646000077699
Energy: 0.01446400820622929
Energy: 0.07787540670449111
Energy: 0.07368731194662202
Energy: 0.07645612447516324
Energy: 0.01494915077054806
Energy: 0.014119277155761886
Energy: 0.07980338060608619
Energy: 0.0738529876207089
Energy: 0.07471704361341243
Energy: 0.07456133469095559
Energy: 0.07724903229031055
Energy: 0.01482825801147853
Energy: 0.014232394632713839
Energy: 0.0742383891107265
Energy: 0.07516955142639786
Energy: 0.07672714486700064
Energy: 0.015464010695856453
Energy: 0.07861908897680063
Energy: 0.07865678438689784
Energy: 0.0738030269368363
Energy: 0.07785576724690339
Energy: 0.01447118651774296
Energy: 0.01696278483809459
Energy: 0.07757456029425587
Energy: 0.07352317502447611
Energy: 0.07860118089401648
Energy: 0.01496425560190754
Energy: 0.017614900423996476
Energy: 0.01784459332345096
Energy: 0.07659044038483225
Energy: 0.07535560151664096
Energy: 0.07665749236146134
Energy: 0.0779282451089797
Energy: 0.017435543389860766
Energy: 0.0774758370421936
Energy: 0.0753740445614007
Energy: 0.07769934866570732
Energy: 0.07769909224241048

minimum gb energy = 0.013519841277362178 eV
minimum distance =  2.8362404846512 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 0.6144870031039149
Energy: 0.6141880824850884
Energy: 0.6333566793920293
Energy: 0.6008169488115275
Energy: 0.596073517773526
Energy: 0.5989878721009518
Energy: 0.6157139759894174
Energy: 0.6316201859460894
Energy: 0.5846367092085913
Energy: 0.5461935220284704
Energy: 0.6802559536445253
Energy: 0.61913962239515
Energy: 0.6343153493481186
Energy: 0.47004602267241036
Energy: 0.4682447786800021
Energy: 0.6241213299390657
Energy: 0.6156849619620146
Energy: 0.6370961976338099
Energy: 0.5131784349718933
Energy: 0.5561542479564787
Energy: 0.5981876646908385
Energy: 0.5371656357771593
Energy: 0.5143544458939798
Energy: 0.46729196035842746
Energy: 0.4675864585983248
Energy: 0.5640485047444809
Energy: 0.5318377691571429
Energy: 0.5253793331599929
Energy: 0.6072802945370935
Energy: 0.5207680780177906
Energy: 0.6357526711244256
Energy: 0.6258188909132881
Energy: 0.46738438197067944
Energy: 0.4678893277615413
Energy: 0.4692220129380453
Energy: 0.6376958145885734
Energy: 0.6259860965090163
Energy: 0.5754325906928889
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Energy: 0.6425020357230198
Energy: 0.6154765232943835
Energy: 0.5896079424639474
Energy: 0.6066516900424359
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Energy: 0.6502394113548984
Energy: 0.5940308898463357
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Energy: 0.5194393993565671
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Energy: 0.5609985260462438
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Energy: 0.5120146305740819
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Energy: 0.6369215089177731
Energy: 0.6770790620709044
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Energy: 0.6491740796293335
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Energy: 0.5964639490268979
Energy: 0.6365507861398614
Energy: 0.6334598485000916
Energy: 0.6186643529389336
Energy: 0.6191509232709107
Energy: 0.6143507887620466
Energy: 0.6169102778605523
Energy: 0.6512269809967342
Energy: 0.6089603795769
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Energy: 0.6147854256228378
Energy: 0.6114029754269786
Energy: 0.5099887330739845
Energy: 0.624566699173226
Energy: 0.6162868628792137
Energy: 0.6381380870821317
Energy: 0.46965041405654395
Energy: 0.5134126765882768
Energy: 0.6259484942648996
Energy: 0.6206808517318508
Energy: 0.6392986141422473
Energy: 0.46860171729104694
Energy: 0.5569866182650604
Energy: 0.6254476890496514
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Energy: 0.5488411417174396
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Energy: 0.5190167713092411
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Energy: 0.7030210605648428
Energy: 0.5476170214994287
Energy: 0.6447366620748607
Energy: 0.6774635991670084
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Energy: 0.6116773696204401
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Energy: 0.6204328439308062
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Energy: 0.6405196069735102
Energy: 0.6428915817565404
Energy: 0.5183657237099841
Energy: 0.677797664865034
Energy: 0.6115508578576462
Energy: 0.5696881535340633
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Energy: 0.5104847580597248
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Energy: 0.5577908963172535
Energy: 0.5709398000698177
Energy: 0.5157448152992165
Energy: 0.5531579211521445
Energy: 0.5547885416599415
Energy: 0.5259251676674598
Energy: 0.5950440381517564
Energy: 0.5183931904302361
Energy: 0.5573759687520835
Energy: 0.5156168647095128
Energy: 0.5332156464899674
Energy: 0.5631851210730089
Energy: 0.5533559399485662
Energy: 0.5560475730584292
Energy: 0.527480615625892
Energy: 0.5349004698682546
Energy: 0.5897413377926249
Energy: 0.5548969968393723
Energy: 0.5594980247433827
Energy: 0.6414059105811976
Energy: 0.6127341656246319
Energy: 0.6383445616265719
Energy: 0.47302463083827095
Energy: 0.605112925477483
Energy: 0.6400802697764247
Energy: 0.6201310631101759
Energy: 0.6305461896046287
Energy: 0.6369378216148034
Energy: 0.590473353486124
Energy: 0.5849135867452989
Energy: 0.6361488360203064
Energy: 0.547497778345917
Energy: 0.46929010836767643
Energy: 0.5482964096939472
Energy: 0.5580155093325442
Energy: 0.6343586873495086
Energy: 0.5122745110408851
Energy: 0.613204632407212
Energy: 0.6363913824948364
Energy: 0.6449124255819465
Energy: 0.6372980586088909
Energy: 0.47467439957207413
Energy: 0.4701874916046029
Energy: 0.6327726826289753
Energy: 0.6463087328609834
Energy: 0.6371243806423773
Energy: 0.6582833397509453
Energy: 0.617029842187094
Energy: 0.6195243416852199
Energy: 0.5978138414064136
Energy: 0.5955595173504667
Energy: 0.6285974657963909
Energy: 0.5961826713029226
Energy: 0.6151496489412207
Energy: 0.6133868983765441
Energy: 0.6307049409595158

minimum gb energy = 0.46729196035842746 eV
minimum distance =  2.57946764273977 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 0.6381622961143495
Energy: 0.5493010341636266
Energy: 0.6087905218751777
Energy: 0.6323124233833183
Energy: 0.5528904111279591
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minimum gb energy = 0.5394455634149333 eV
minimum distance =  2.61266014621747 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.5833352165411528
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Energy: 0.6042150877555369
Energy: 0.5975695666714529
Energy: 0.6108014686725175
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Energy: 0.6324446765832235
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Energy: 0.5933961443081074
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Energy: 0.6057230315218115
Energy: 0.5878828342491539
Energy: 0.5931395128029064
Energy: 0.5745422139971996
Energy: 0.5971147120091923
Energy: 0.612150802640962
Energy: 0.5927606997823297
Energy: 0.5982110255454427
Energy: 0.6019423273526426
Energy: 0.5923847511671578
Energy: 0.5835926254802043
Energy: 0.579397198023291
Energy: 0.5935679272406936
Energy: 0.615915088567197
Energy: 0.6340841788357132
Energy: 0.6027163206203174
Energy: 0.5856000188340027
Energy: 0.6277786836667216
Energy: 0.5932050173516787
Energy: 0.5927701962130909
Energy: 0.5944707819816376
Energy: 0.5856120485215712
Energy: 0.6224152176757061
Energy: 0.5906543236939696
Energy: 0.5917954812860126
Energy: 0.6061761820250028
Energy: 0.6260777785952437
Energy: 0.5907211852042068
Energy: 0.59147796484451
Energy: 0.5910517349858118
Energy: 0.6123374521538435
Energy: 0.623188850306223
Energy: 0.5798749000555468
Energy: 0.5918315221465047
Energy: 0.6183907803595254
Energy: 0.6408152543634613
Energy: 0.6050510225425457
Energy: 0.593458581390199
Energy: 0.6069253389548123
Energy: 0.5898077554653769
Energy: 0.6396673178049052
Energy: 0.5792983889458169
Energy: 0.593191090244425
Energy: 0.5980593868502705
Energy: 0.6165695939962618
Energy: 0.6132211041574342
Energy: 0.5926073599689111
Energy: 0.6101065878889431
Energy: 0.5809460271672675
Energy: 0.5777924212817319
Energy: 0.5888874224680123
Energy: 0.5753510538816191
Energy: 0.602193876466568
Energy: 0.5810083553639607
Energy: 0.5822685815110252
Energy: 0.5965980735421788
Energy: 0.6096486647232313
Energy: 0.5741634003445343
Energy: 0.5812303615510203
Energy: 0.5746171936287855
Energy: 0.5734334905372821
Energy: 0.5742496212891532
Energy: 0.5732108448068155
Energy: 0.5819871821711382
Energy: 0.5738006106921313
Energy: 0.5944112417000551

minimum gb energy = 0.5628102518333454 eV
minimum distance =  2.58065404770493 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.7773582603566713
Energy: 0.5352473086818873
Energy: 0.5353663487121098
Energy: 0.5505789432585249
Energy: 0.5296117392644509
Energy: 0.5385569729753512
Energy: 0.5352457129725146
Energy: 0.5358243691938905
Energy: 0.5508267610764576
Energy: 0.5300058634414395
Energy: 0.584566056365813
Energy: 0.5510321358904995
Energy: 0.5507000190737343
Energy: 0.548654923460385
Energy: 0.5506849231097138
Energy: 0.5489068265260367
Energy: 0.5510222071116379
Energy: 0.5481248868734737
Energy: 0.5505432008391714
Energy: 0.5665438191126122
Energy: 0.5543837350517967
Energy: 0.5903406895797595
Energy: 0.5443374474687552
Energy: 0.5545073542360716
Energy: 0.5583276903343286
Energy: 0.5538064797719254
Energy: 0.5720573164412645
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Energy: 0.554645605004489
Energy: 0.5583158958127411
Energy: 0.5847371264236354
Energy: 0.5465264020227445
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Energy: 0.5505948063359066
Energy: 0.5522071345991448
Energy: 0.5374021774237943
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Energy: 0.54614469371841
Energy: 0.551501264079756
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Energy: 0.5370515940629211
Energy: 0.5353973880706491
Energy: 0.5458916955793002
Energy: 0.5617950369887397
Energy: 0.5496377745567977
Energy: 0.5528113578972566
Energy: 0.549405663671322
Energy: 0.5522266154108366
Energy: 0.549787340509928
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Energy: 0.549313263205583
Energy: 0.552307462703972
Energy: 0.5839102326278999
Energy: 0.573079963396285
Energy: 0.5565219660082203
Energy: 0.5527258627108523
Energy: 0.5732148299765453
Energy: 0.5579841291299721
Energy: 0.5538991818312475
Energy: 0.5567267399043562
Energy: 0.5521187633186003
Energy: 0.5733931478846026
Energy: 0.5574172511680052
Energy: 0.5541028503853401
Energy: 0.5507854068689513
Energy: 0.5539212491063855
Energy: 0.5497425213519193
Energy: 0.553760843498635
Energy: 0.5541999634693162
Energy: 0.5536993759216373
Energy: 0.5542525349163668
Energy: 0.5478944497906978
Energy: 0.5445905750272855
Energy: 0.5637504594227797
Energy: 0.5503947262772309
Energy: 0.5465505224041318
Energy: 0.5482003358186747
Energy: 0.536376835761034
Energy: 0.5741294321003861
Energy: 0.5544154151167996
Energy: 0.5524623213941798
Energy: 0.5508346609635862
Energy: 0.5378092415584923
Energy: 0.5494024503362995
Energy: 0.5496439576322
Energy: 0.5352702792546582
Energy: 0.538874847229642
Energy: 0.5462755227212112
Energy: 0.5748538565039494
Energy: 0.5489854610108672
Energy: 0.5360219997815764
Energy: 0.5370931449025148
Energy: 0.5462351352865864
Energy: 0.5301211679931144
Energy: 0.550341420507393
Energy: 0.5506971329976829
Energy: 0.5376608822140752
Energy: 0.5509682794393786
Energy: 0.5707284461322472
Energy: 0.5499507469416274
Energy: 0.5506498388264893
Energy: 0.5398870676739101
Energy: 0.5503146210388616

minimum gb energy = 0.5294641497450546 eV
minimum distance =  2.60585780832556 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.5108558470047575
Energy: 0.4895520678139498
Energy: 0.48271432421774874
Energy: 0.4916174537420444
Energy: 0.47172960500811656
Energy: 0.49038326807603316
Energy: 0.4937369235460132
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Energy: 0.5287561414084155
Energy: 0.4995731634450055
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Energy: 0.5205284480161271
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Energy: 0.5168987174655832
Energy: 0.5189165684279196
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Energy: 0.5135505455459085
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Energy: 0.5137343938603984
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Energy: 0.5392297078033931
Energy: 0.5224702558662282
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Energy: 0.5148993654283479
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Energy: 0.5276986712699951
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Energy: 0.5084123287994746
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Energy: 0.5148756223625442
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Energy: 0.5325185095358934
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Energy: 0.4941970850065922
Energy: 0.4864259920859683
Energy: 0.4910782464834485
Energy: 0.5182872097802433
Energy: 0.48758563048969583
Energy: 0.48525455309093635
Energy: 0.4868334559641827
Energy: 0.4914397957079147
Energy: 0.5179302621886976
Energy: 0.48254170795414525
Energy: 0.49720077387551337
Energy: 0.4901404201927693
Energy: 0.5194698299500167
Energy: 0.5400345298254526
Energy: 0.4938447270027672
Energy: 0.48532588398608634
Energy: 0.48252767133736457
Energy: 0.5104522649594668
Energy: 0.5115085512737081
Energy: 0.49466128308700563
Energy: 0.4972166784986633
Energy: 0.4970379056475144
Energy: 0.5195692714558968
Energy: 0.49133151996249225
Energy: 0.4980460837622827
Energy: 0.501208386055687
Energy: 0.4940408644263553
Energy: 0.5265872807805485
Energy: 0.4867389282602306
Energy: 0.4908468344353775
Energy: 0.49209673805153537
Energy: 0.5060658957946743

minimum gb energy = 0.47172960500811656 eV
minimum distance =  2.63262823775727 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 0.43431891774816084
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Energy: 0.361607036069826
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Energy: 0.3784181222579789
Energy: 0.47989476887294297
Energy: 0.3132864382581747
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Energy: 0.4911081293060917
Energy: 0.4932587060907708
Energy: 0.34194565673719585
Energy: 0.34185891039448196
Energy: 0.4385037234867086
Energy: 0.5078804665301765
Energy: 0.3644489472385576
Energy: 0.4463385480470799
Energy: 0.3372872644592946
Energy: 0.45682884991717637
Energy: 0.4644073834474681
Energy: 0.32455514310117745
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Energy: 0.31662520722172655
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Energy: 0.46698638768398915
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Energy: 0.381820874599942
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Energy: 0.42435628695313915
Energy: 0.3588057275538072
Energy: 0.41941125290891795
Energy: 0.4784217076768432
Energy: 0.5062661443966833
Energy: 0.37859082151157786

minimum gb energy = 0.2592112084297204 eV
minimum distance =  2.59220236913073 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.4614236008225699
Energy: 0.4580620155957487
Energy: 0.46026528027404506
Energy: 0.46043937654608275
Energy: 0.4443503111699944
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Energy: 0.4828770613234511
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minimum gb energy = 0.43971729308030144 eV
minimum distance =  2.60710351076689 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 0.5960626666878898
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Energy: 0.5916006311642227
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Energy: 0.5827123111028979
Energy: 0.5924357710632542
Energy: 0.5847016675789414
Energy: 0.5760407777163163
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Energy: 0.5825168303705751
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Energy: 0.5652314068510622
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Energy: 0.5657283447837198
Energy: 0.575995960328464
Energy: 0.5936500385580656
Energy: 0.5920220829967269
Energy: 0.5813378764305254

minimum gb energy = 0.5652314068510622 eV
minimum distance =  2.62324760427913 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 1.0804866877297736
Energy: 0.6760876724253577
Energy: 0.6766834538396888
Energy: 0.6914885140433771
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Energy: 0.6695234456637575
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Energy: 0.6973140507353603
Energy: 0.6680468716242662
Energy: 0.677128368014882
Energy: 0.6688347409567821
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minimum gb energy = 0.6612020933670377 eV
minimum distance =  2.5808297221001 Angstroms
sigma value = 293


========================================
theta = 91.16938280561405
========================================

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Energy: 0.6591805773516682
Energy: 0.658456778620163
Energy: 0.6975521913974303
Energy: 0.6773758214199472
Energy: 0.6703712028454194
Energy: 0.674930794503095
Energy: 0.6689632715530474
Energy: 0.6738442284803259
Energy: 0.713450186654835
Energy: 0.6686577460299682
Energy: 0.674092493957664
Energy: 0.6690536066434857
Energy: 0.6807866227908429
Energy: 0.7141087255924694
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Energy: 0.690135349891066
Energy: 0.6777056462901256
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Energy: 0.685548645570081
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Energy: 0.657643761176248
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Energy: 0.6701781370174057
Energy: 0.6599340718019209
Energy: 0.6686936151798185
Energy: 0.6566658615819788
Energy: 0.6736439749946279
Energy: 0.6591671797270069
Energy: 0.6757846324086987
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Energy: 0.658650860885584
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Energy: 0.6758525307435499
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Energy: 0.6644944234621212
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Energy: 0.6616547497536847
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Energy: 0.6570650064895733
Energy: 0.6594876920119433
Energy: 0.6584436178421804
Energy: 0.6642028594813878
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Energy: 0.6587086503993467
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Energy: 0.6681758247964142
Energy: 0.6852674728860306
Energy: 0.6656178576052207
Energy: 0.6586466154078728
Energy: 0.6835574482592888
Energy: 0.6607667521961519
Energy: 0.6602965157041308
Energy: 0.6701822453271621
Energy: 0.6597575516433821
Energy: 0.6838738682124843
Energy: 0.6638610408996694
Energy: 0.6601319700327895
Energy: 0.6713307065013729
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Energy: 0.6739960010253035
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Energy: 0.6824957826205019
Energy: 0.6716392251835209
Energy: 0.675252892477477
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Energy: 0.6662887682737149
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Energy: 0.6581788714166064
Energy: 0.669445960583063
Energy: 0.7005581997050082
Energy: 0.662971235371162
Energy: 0.6549846647843366
Energy: 0.655377788971138
Energy: 0.668898898336922
Energy: 0.676530132481184
Energy: 0.6666133478271034
Energy: 0.6593226033784682
Energy: 0.6499959244196732
Energy: 0.6644108793288467
Energy: 0.679134579811124
Energy: 0.6707855642515226
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Energy: 0.6501680223740915
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Energy: 0.6858812905750891
Energy: 0.6592301470304813
Energy: 0.6845621870106074
Energy: 0.6796766364688945
Energy: 0.6679872965948417
Energy: 0.6790276798644375
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Energy: 0.6687238739525156
Energy: 0.6603089148369868
Energy: 0.6581932048082786
Energy: 0.6521978175586235
Energy: 0.6648159678148453
Energy: 0.6633231838522462
Energy: 0.6849880642741942
Energy: 0.6585486698469363
Energy: 0.6872560097627257
Energy: 0.7181106856419508
Energy: 0.6570659247585485
Energy: 0.663899579175264
Energy: 0.6774542010850567
Energy: 0.6522208864467297
Energy: 0.660932793317621
Energy: 0.6566415903874663
Energy: 0.6593416450806252
Energy: 0.6780084369170355
Energy: 0.6519095665915443
Energy: 0.6671770840050445
Energy: 0.6836621440575124
Energy: 0.6625949417516975
Energy: 0.674921383218512
Energy: 0.6666215375299374
Energy: 0.6677811608682597
Energy: 0.676767351058395
Energy: 0.6613333353543467
Energy: 0.6735886420423921
Energy: 0.6714796869598568
Energy: 0.6610220208121712
Energy: 0.6724847215295515
Energy: 0.6617153744675907
Energy: 0.6816544696292252
Energy: 0.6578964601011001
Energy: 0.6598431956337016
Energy: 0.6739773209810604
Energy: 0.6607439298045562
Energy: 0.6819388476376361
Energy: 0.6817084687315916
Energy: 0.6668974748797459
Energy: 0.7062305449214564
Energy: 0.689018393957197
Energy: 0.6616494161784491
Energy: 0.6743996218594465
Energy: 0.6664369200210278
Energy: 0.7025567745766078
Energy: 0.6883280150417969
Energy: 0.6641758373635419
Energy: 0.6749012274997205
Energy: 0.6682095640875259
Energy: 0.6777873777984599
Energy: 0.7156895514483691
Energy: 0.6634514045054689
Energy: 0.6726227419463748
Energy: 0.6685913489547162
Energy: 0.6769606901113515
Energy: 0.7153613846844419
Energy: 0.6695309834616353
Energy: 0.6729978774284396
Energy: 0.6504565820272111
Energy: 0.6688927907487326
Energy: 0.6638601002313879
Energy: 0.6845806561353399
Energy: 0.6741151941584484
Energy: 0.6924861295004772
Energy: 0.6677156573142774
Energy: 0.6661782997426616
Energy: 0.6784161131467764
Energy: 0.6796947995324029

minimum gb energy = 0.6499959244196732 eV
minimum distance =  2.5620707247833 Angstroms
sigma value = 293


========================================
theta = 101.53695903281549
========================================

Energy: 0.6664040530837573
Energy: 0.675436802077578
Energy: 0.714257508931177
Energy: 0.6760781230712755
Energy: 0.6635168826478614
Energy: 0.6669162537740803
Energy: 0.6761656910747394
Energy: 0.7128438420847272
Energy: 0.6758692112871623
Energy: 0.6634810617946166
Energy: 0.70663873573003
Energy: 0.6709504200205669
Energy: 0.6705604469684127
Energy: 0.6693613537073675
Energy: 0.6711353587141538
Energy: 0.707276773926332
Energy: 0.6710005661585682
Energy: 0.6649779356875479
Energy: 0.6697657895947818
Energy: 0.6711665620441651
Energy: 0.6779004035804561
Energy: 0.6710176919320248
Energy: 0.6714380171230364
Energy: 0.6770781758588464
Energy: 0.709248384063139
Energy: 0.6708472888864893
Energy: 0.670265003538843
Energy: 0.6707872519974603
Energy: 0.7146020375981991
Energy: 0.7088108163519573
Energy: 0.7160021873967279
Energy: 0.6641331660238873
Energy: 0.6633290720370149
Energy: 0.6705333063704443
Energy: 0.7088206869127137
Energy: 0.7155051585721459
Energy: 0.6640449608729583
Energy: 0.663299992534391
Energy: 0.6762236882055758
Energy: 0.666059098134783
Energy: 0.67797511525867
Energy: 0.6659376358420804
Energy: 0.6631878639237003
Energy: 0.6771915419514423
Energy: 0.6731380062172084
Energy: 0.6711295009076828
Energy: 0.6649451711639087
Energy: 0.6639169197015575
Energy: 0.6769831270148856
Energy: 0.67154874274176
Energy: 0.6708296492069643
Energy: 0.7141173501807527
Energy: 0.6759640830181243
Energy: 0.6706939156458682
Energy: 0.6729685154145691
Energy: 0.6712372398104872
Energy: 0.7128895179781315
Energy: 0.6765672091861099
Energy: 0.6734494711494877
Energy: 0.6741494039761557
Energy: 0.677912538351468
Energy: 0.6657409912833006
Energy: 0.6698847788509634
Energy: 0.6711209364202705
Energy: 0.6773471472192107
Energy: 0.677335037775919
Energy: 0.6638240190855528
Energy: 0.670481330695081
Energy: 0.6710732959705912
Energy: 0.6783446217552357
Energy: 0.6726335672485202
Energy: 0.708198645129881
Energy: 0.717889615390893
Energy: 0.6634017126655206
Energy: 0.6672992523602117
Energy: 0.6809477480970157
Energy: 0.7097002472276343
Energy: 0.6767159217255919
Energy: 0.6676711310792237
Energy: 0.6641656303810608
Energy: 0.6707340553641744
Energy: 0.6653817655051028
Energy: 0.6691995320988492
Energy: 0.6635079343507717
Energy: 0.7081605478240096
Energy: 0.6704659788893568
Energy: 0.66954447257119
Energy: 0.6691304949624478
Energy: 0.6635648611028544
Energy: 0.7108659521902809
Energy: 0.6729230710974053
Energy: 0.671439374827127
Energy: 0.7103289360508817
Energy: 0.7140643028343187
Energy: 0.6739706829698593
Energy: 0.6828617767953266
Energy: 0.6763502356523587
Energy: 0.7118947410855874
Energy: 0.7342466452537224
Energy: 0.6713988816990336
Energy: 0.6645160098383316
Energy: 0.6774032414300029
Energy: 0.6774696032884112
Energy: 0.6769379945286634
Energy: 0.7143159522577383
Energy: 0.6641231418182026
Energy: 0.6791275941541958
Energy: 0.6632844427085471
Energy: 0.6771952652884616
Energy: 0.714880985526248
Energy: 0.6665634260325407
Energy: 0.6757878929995605
Energy: 0.7130336775051925
Energy: 0.6759015879713098
Energy: 0.6636254180031291
Energy: 0.6672841558074603
Energy: 0.6760159765644086
Energy: 0.7136515710264852
Energy: 0.6759865203242262
Energy: 0.6635377121516359
Energy: 0.7064880172233148
Energy: 0.6705342565392484
Energy: 0.6697026287123515
Energy: 0.6694617084018923
Energy: 0.6707945180827003
Energy: 0.7079656508414
Energy: 0.6711349277591485
Energy: 0.6648132135151481
Energy: 0.6700224602279157
Energy: 0.6793771994227699
Energy: 0.6775152661953356
Energy: 0.6713409234598657
Energy: 0.671631706942476
Energy: 0.7153919798274263
Energy: 0.7097871930530697
Energy: 0.6711709945700395
Energy: 0.6708573022632621
Energy: 0.6710551910750966
Energy: 0.7127865452722539
Energy: 0.7090039960956659
Energy: 0.7160386710818604
Energy: 0.6641412291808831
Energy: 0.6632831557024874
Energy: 0.6704010558386885
Energy: 0.7089220234502411
Energy: 0.7143359828553661
Energy: 0.6638565472496795
Energy: 0.663324283306877
Energy: 0.6708157900481398
Energy: 0.7092454975504653
Energy: 0.6776215695959512
Energy: 0.6665032626527561
Energy: 0.6634896335770458
Energy: 0.6774843256099041
Energy: 0.672298659432507
Energy: 0.6716583345840301
Energy: 0.6652519542363926
Energy: 0.6637944189699074
Energy: 0.6769600830567976
Energy: 0.6716150646954042
Energy: 0.6706289644549617
Energy: 0.7142015023725151
Energy: 0.676609506155957
Energy: 0.6703918060622812
Energy: 0.6736882519279034
Energy: 0.6712235658578476
Energy: 0.7120445787680674
Energy: 0.67644408498851
Energy: 0.6720337004736945
Energy: 0.674172922779182
Energy: 0.6775503523834069
Energy: 0.6656248539910453
Energy: 0.6702271270230762
Energy: 0.6710451073059861
Energy: 0.6771912979071772
Energy: 0.6770113354181923
Energy: 0.664026551349198
Energy: 0.6704808158945006
Energy: 0.6707954639933796
Energy: 0.6787489778413556
Energy: 0.6747004235134011
Energy: 0.7076916979124457
Energy: 0.7145722643407494
Energy: 0.6633642095506637
Energy: 0.6666283449361234
Energy: 0.6922132692837448
Energy: 0.7093491294760674
Energy: 0.6767739964932986
Energy: 0.6674329024012133
Energy: 0.6648363184844335
Energy: 0.6702819050413437
Energy: 0.6656028107888722
Energy: 0.669363506902753
Energy: 0.6635881309430629
Energy: 0.7113635498334463
Energy: 0.6704920435018722
Energy: 0.6692078563427781
Energy: 0.6692700353371345
Energy: 0.6637356013966373
Energy: 0.6752170535506022
Energy: 0.6722568233097611
Energy: 0.6713191579466803
Energy: 0.7094941692358554
Energy: 0.7153771530290475
Energy: 0.6739058794268884
Energy: 0.6797521524874591
Energy: 0.6736297232332042
Energy: 0.7120809085821589
Energy: 0.6918605024823181
Energy: 0.6717912214953596
Energy: 0.6640940804084756
Energy: 0.6774426092278573
Energy: 0.6772651901856087
Energy: 0.677005048610084
Energy: 0.714661858550037
Energy: 0.6636883670773795
Energy: 0.6721448009670797
Energy: 0.6630544284757764
Energy: 0.6769636745405494
Energy: 0.7143721329350853

minimum gb energy = 0.6630544284757764 eV
minimum distance =  2.5750356897323 Angstroms
sigma value = 15


========================================
theta = 110.02717248395857
========================================

Energy: 1.249952887832951
Energy: 0.700205787038751
Energy: 0.6890675236540078
Energy: 0.6589649870936931
Energy: 0.693314528750488
Energy: 0.6913472334995943
Energy: 0.6957251831630461
Energy: 0.694536602161363
Energy: 0.6564195345069082
Energy: 0.7031557210122956
Energy: 0.6568786904871193
Energy: 0.7021342359928945
Energy: 0.6902053852891863
Energy: 0.6899409526940176
Energy: 0.6904660987174682
Energy: 0.6513525248636199
Energy: 0.7057079291425659
Energy: 0.6911978967774144
Energy: 0.7044786110736083
Energy: 0.7157203802234171
Energy: 0.7369580566651593
Energy: 0.6798346058264996
Energy: 0.7068234553598984
Energy: 0.686447285775908
Energy: 0.6670371435496655
Energy: 0.7364564615177727
Energy: 0.6817762073216511
Energy: 0.6859372550335735
Energy: 0.6815214980760375
Energy: 0.750085064114525
Energy: 0.6821141740221321
Energy: 0.6571082411451641
Energy: 0.6892142596307759
Energy: 0.7361656165446105
Energy: 0.7540893138491757
Energy: 0.6860360175333353
Energy: 0.6534959250583258
Energy: 0.6878529954841022
Energy: 0.7352606310268833
Energy: 0.7395969586701008
Energy: 0.7188456786934566
Energy: 0.6899696985945644
Energy: 0.654499936647784
Energy: 0.6559187491289388
Energy: 0.6442122759913929
Energy: 0.7192081764012045
Energy: 0.684884195310709
Energy: 0.6824778892754417
Energy: 0.65653114882231
Energy: 0.7158097615852614
Energy: 0.6448976840745474
Energy: 0.6560076500632213
Energy: 0.6560640941849332
Energy: 0.7109552673706498
Energy: 0.773565128670718
Energy: 0.6853199740306594
Energy: 0.6558347376233026
Energy: 0.6557500330303737
Energy: 0.7300769759804334
Energy: 0.769147878190308
Energy: 0.6585591263928532
Energy: 0.6556625261068699
Energy: 0.6581050616791165
Energy: 0.7307078688712857
Energy: 0.7281155700718395
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Energy: 0.654471655655897
Energy: 0.657369233300486
Energy: 0.6668216806327666
Energy: 0.6898147248682021
Energy: 0.6556246705861277
Energy: 0.6564534803528151
Energy: 0.6597313622848331
Energy: 0.6541972238483271
Energy: 0.6957875446455174
Energy: 0.655102203184349
Energy: 0.6553986619007233
Energy: 0.6728293530229822
Energy: 0.6553220028559048
Energy: 0.7115524260156246
Energy: 0.6580775769180867
Energy: 0.7909401221904307
Energy: 0.7182308165123518
Energy: 0.6979205464465809
Energy: 0.6581173540308926
Energy: 0.6578602560607675
Energy: 0.7898978751083924
Energy: 0.7163504555510669
Energy: 0.7138551070924534
Energy: 0.6583738141122326
Energy: 0.6987704720029075
Energy: 0.6824743405518557
Energy: 0.6466849115972061
Energy: 0.6714900921570105
Energy: 0.6741092482955763
Energy: 0.6764264384790205
Energy: 0.6927417508634031
Energy: 0.6466466370863335
Energy: 0.6737307396411713
Energy: 0.6755912026739128
Energy: 0.6960569084828242
Energy: 0.6690984316673286
Energy: 0.6672303236574663
Energy: 0.6734430749272706
Energy: 0.6613898823185008
Energy: 0.7198847541159841
Energy: 0.6684846212671641
Energy: 0.6676493164462713
Energy: 0.6756699698519334
Energy: 0.6578342287122009
Energy: 0.7947202935274302
Energy: 0.7063670525460715
Energy: 0.6604697317949105
Energy: 0.6483543743276885
Energy: 0.6909227748420309
Energy: 0.7483974323177304
Energy: 0.7049215969738757
Energy: 0.6581209013154522
Energy: 0.6500919926598224
Energy: 0.7059359310038393
Energy: 0.6725366310901496
Energy: 0.6972653010115666
Energy: 0.7006854067282102
Energy: 0.6871304339377707
Energy: 0.724336087425471
Energy: 0.6647037955906259
Energy: 0.6974271698578529
Energy: 0.7016482244125709
Energy: 0.6866682387900744
Energy: 0.7157650072743462
Energy: 0.6819856744496281
Energy: 0.6918272064366576
Energy: 0.7163533312265208
Energy: 0.6870482821879323
Energy: 0.667570197017836
Energy: 0.6940436737576233
Energy: 0.6933252528152313
Energy: 0.7176760135453811
Energy: 0.6952165379805555
Energy: 0.6775845420649399
Energy: 0.6572848135560507
Energy: 0.6791182180780754
Energy: 0.7353925842394207
Energy: 0.7341922987111198
Energy: 0.6781206471653878
Energy: 0.6769087404497245
Energy: 0.6744103780048941
Energy: 0.7398143491185122
Energy: 0.7285736698240698
Energy: 0.671510391274497
Energy: 0.7383865141339362
Energy: 0.7398718503641318
Energy: 0.6488368536544511
Energy: 0.6840138263798738
Energy: 0.6592220864941607
Energy: 0.7261188086732505
Energy: 0.7408490450720572
Energy: 0.6494893442897676
Energy: 0.6835203415828852
Energy: 0.6472665171923052
Energy: 0.6497801209209781
Energy: 0.6562449756317302
Energy: 0.6657066385202041
Energy: 0.743765589041904
Energy: 0.7163453116614508
Energy: 0.6488219954052398
Energy: 0.6977127669441672
Energy: 0.723481861300555
Energy: 0.7450639157833102
Energy: 0.7323006314829262
Energy: 0.6712821087829258
Energy: 0.7650071218004812
Energy: 0.7710195887031035
Energy: 0.687593390078792
Energy: 0.6602129833123573
Energy: 0.7310920022066104
Energy: 0.7667064791083481
Energy: 0.6821492540315803
Energy: 0.6609627110334769
Energy: 0.656550189342635
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Energy: 0.6599732561902084
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Energy: 0.6559333413085535
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Energy: 0.6457661563040936
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Energy: 0.6451250896683522
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Energy: 0.6499553672624785
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Energy: 0.6803799251242615
Energy: 0.6446185940891851
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Energy: 0.6498194085383747
Energy: 0.6695067654077715
Energy: 0.684969663142758
Energy: 0.66683226669101
Energy: 0.6627327072026071
Energy: 0.6682753712471182
Energy: 0.6467279012165459
Energy: 0.7016481602042668
Energy: 0.6724816290611038
Energy: 0.662292874769889
Energy: 0.6620091080622721
Energy: 0.6470354322327934
Energy: 0.7433740890136801
Energy: 0.7141399545520802
Energy: 0.647068896154953
Energy: 0.6476376920208808
Energy: 0.674134359002385
Energy: 0.7510410511624733
Energy: 0.7125679390393188
Energy: 0.6476276022950881
Energy: 0.6477898396675866
Energy: 0.6871033493512163
Energy: 0.7080526275990399
Energy: 0.6646797305075871
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Energy: 0.6705220462322548
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Energy: 0.6689369280276914
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Energy: 0.6908586259846409
Energy: 0.7212810068602596
Energy: 0.6685151546164728
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Energy: 0.6912192467570152
Energy: 0.6949426220527083
Energy: 0.6552976960272721
Energy: 0.6695191414671542
Energy: 0.6805897705541835
Energy: 0.6782505004848655
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Energy: 0.7467609100452054
Energy: 0.7403615349109437
Energy: 0.7019131005535418
Energy: 0.6733127989995464
Energy: 0.6833240146895158
Energy: 0.7446251946007264
Energy: 0.6845051167059375
Energy: 0.6924793459333344
Energy: 0.7245531311397853
Energy: 0.7512541306261267
Energy: 0.6750505087933402
Energy: 0.7265664461041547
Energy: 0.6618872026181273
Energy: 0.754714718329426
Energy: 0.7522867693191844
Energy: 0.6751364528906351
Energy: 0.7191914953479616
Energy: 0.6470457870128823
Energy: 0.6528745283033478
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Energy: 0.6844765659009866
Energy: 0.7422657146013563
Energy: 0.7141611589967305
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Energy: 0.7265067749149403
Energy: 0.683448594386566
Energy: 0.7431402057406331
Energy: 0.7392135915042902
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Energy: 0.7643622727187537
Energy: 0.769756909009943
Energy: 0.688093227921019
Energy: 0.6569756115838159
Energy: 0.7426314947143242
Energy: 0.768072078431948
Energy: 0.7537705017939486
Energy: 0.6875885365239507
Energy: 0.6551933689441464
Energy: 0.6581725689319485
Energy: 0.7334557974219608
Energy: 0.6584984572644386
Energy: 0.6571682346621248
Energy: 0.6598312895870764
Energy: 0.6586693114024583
Energy: 0.7270683579567707
Energy: 0.6562962570810924
Energy: 0.6608235497937063
Energy: 0.6598011214242537
Energy: 0.6586060736985524
Energy: 0.71412091007357
Energy: 0.7019134667973501
Energy: 0.6558953935888241
Energy: 0.6542270080511198
Energy: 0.6915031636583372
Energy: 0.695148153195082
Energy: 0.7090098958095472
Energy: 0.6554841010870808
Energy: 0.6545870854819728
Energy: 0.6930386857782288
Energy: 0.6556367273484095
Energy: 0.6630385210922373
Energy: 0.7034384240639106
Energy: 0.6848953159327631
Energy: 0.7013759008989441
Energy: 0.6547889861639788
Energy: 0.6561217894762614
Energy: 0.7089636347045242
Energy: 0.696527203868864
Energy: 0.6567879026772723
Energy: 0.6574043400413947
Energy: 0.6807967919004632
Energy: 0.7901910834218266
Energy: 0.6581188318499456
Energy: 0.6521092976202167
Energy: 0.6520737808976655
Energy: 0.716291086532522
Energy: 0.790844038024375
Energy: 0.658406995427173
Energy: 0.6593860558891398
Energy: 0.6591444285209526
Energy: 0.6597797372025557
Energy: 0.6578946566923655
Energy: 0.6637482830569016
Energy: 0.6624632497210415
Energy: 0.6641898037481548
Energy: 0.6673207906992756
Energy: 0.6655509089430109
Energy: 0.6601556182716887
Energy: 0.658374052124679
Energy: 0.6548634927982897
Energy: 0.6586904394655766
Energy: 0.7610191636888514
Energy: 0.6766187297438979
Energy: 0.6616530459689776
Energy: 0.6564201884259926
Energy: 0.6596195475948372
Energy: 0.712774113270934
Energy: 0.6725546821794869
Energy: 0.7589583411197196
Energy: 0.7341815274603272
Energy: 0.7121670628828264
Energy: 0.6517422261279529
Energy: 0.645755105479255
Energy: 0.6675072268916378
Energy: 0.7169716872314058
Energy: 0.7294686147671094
Energy: 0.6578176761502714
Energy: 0.6477282661050207

minimum gb energy = 0.6431895412056252 eV
minimum distance =  2.55312607383878 Angstroms
sigma value = 437


========================================
theta = 117.03569178941228
========================================

Energy: 0.9292920864696215
Energy: 0.6582180932677751
Energy: 0.6765921682867138
Energy: 0.6727154452072738
Energy: 0.6123214535168453
Energy: 0.6243199798643433
Energy: 0.6798050733259121
Energy: 0.6759523595983853
Energy: 0.6738356755475547
Energy: 0.6710744712499699
Energy: 0.654151485354657
Energy: 0.6317124763584553
Energy: 0.6124444466850055
Energy: 0.7180376096730715
Energy: 0.6227208938274553
Energy: 0.6530931272833965
Energy: 0.6290277541432803
Energy: 0.6120439765543272
Energy: 0.6687158126531131
Energy: 0.6229638507471367
Energy: 0.6596029782473344
Energy: 0.6562788509885945
Energy: 0.6684046309223004
Energy: 0.6214804358706645
Energy: 0.6047679548818272
Energy: 0.6594795074594072
Energy: 0.6573413312883156
Energy: 0.6683788796444841
Energy: 0.6200243342335736
Energy: 0.6672398178815028
Energy: 0.6204164737122454
Energy: 0.6231739157935259
Energy: 0.6543496845227389
Energy: 0.666258022372237
Energy: 0.6635510917402259
Energy: 0.6210806218134831
Energy: 0.6137262273277624
Energy: 0.6535748326090703
Energy: 0.6653349404307433
Energy: 0.6657888696923994
Energy: 0.6150275238713523
Energy: 0.6557718815484377
Energy: 0.6198880406255336
Energy: 0.6151967582382102
Energy: 0.6166015803944962
Energy: 0.6145265021136095
Energy: 0.6563649805613683
Energy: 0.6188485233618678
Energy: 0.6148480859473421
Energy: 0.6100649124668072
Energy: 0.6277458946465017
Energy: 0.6251043039136546
Energy: 0.6035956081465531
Energy: 0.6473229879680756
Energy: 0.6157311549136045
Energy: 0.6295044615163763
Energy: 0.6253451409363465
Energy: 0.6037771857164059
Energy: 0.6473310592360502
Energy: 0.6163167352587238
Energy: 0.6488074424410295
Energy: 0.6577606998888645
Energy: 0.6442152639923726
Energy: 0.6182956915699656
Energy: 0.6176314617908953
Energy: 0.6473286109833698
Energy: 0.614819193133305
Energy: 0.6437875927108538
Energy: 0.6197896872235167
Energy: 0.6601169812231779
Energy: 0.6581867619700371
Energy: 0.6615841599427728
Energy: 0.620270151209717
Energy: 0.6162398603682753
Energy: 0.6664929723502316
Energy: 0.6572816892059636
Energy: 0.6611112147214614
Energy: 0.6252021439126099
Energy: 0.6162040008874933
Energy: 0.6572928750219249
Energy: 0.6194210137197833
Energy: 0.6696735300482389
Energy: 0.6214323339130647
Energy: 0.6689826455974538
Energy: 0.6198413445695002
Energy: 0.6191177922161061
Energy: 0.6770116219432561
Energy: 0.6201317774641566
Energy: 0.736401893020007
Energy: 0.6193725834673831
Energy: 0.6592477770697891
Energy: 0.6201022839752889
Energy: 0.6107227684887813
Energy: 0.6043063774238644
Energy: 0.6260792077336466
Energy: 0.6452963690009074
Energy: 0.6210299616003147
Energy: 0.6112505735812699
Energy: 0.6030039472335451
Energy: 0.6247599982360256
Energy: 0.6037817751404347
Energy: 0.6039090027680168
Energy: 0.6193234940844612
Energy: 0.6154082958068878
Energy: 0.6005072401175275
Energy: 0.6026839100241396
Energy: 0.6032835747638988
Energy: 0.6205962692353393
Energy: 0.6155495223636244
Energy: 0.6207939544798133
Energy: 0.6047029643307977
Energy: 0.603566047882354
Energy: 0.6059719156418183
Energy: 0.6538436674657474
Energy: 0.6074598017115592
Energy: 0.6043560837938023
Energy: 0.6033551833040354
Energy: 0.6060870756743755
Energy: 0.6554055628287361
Energy: 0.6060076589771676
Energy: 0.6069606554249104
Energy: 0.604543394770636
Energy: 0.6210121897577885
Energy: 0.6650161648091373
Energy: 0.6137383567881137
Energy: 0.604242646535171
Energy: 0.6038870567187251
Energy: 0.6095780772846376
Energy: 0.6635845333509743
Energy: 0.6106541908943106
Energy: 0.7210744020078889
Energy: 0.6098940128047623
Energy: 0.734738143903301
Energy: 0.6066964244836459
Energy: 0.6031619948201119
Energy: 0.6852141769172999
Energy: 0.6106018271465203
Energy: 0.7334189707602812
Energy: 0.6066321676996995
Energy: 0.6287142569051714

minimum gb energy = 0.6005072401175275 eV
minimum distance =  2.63255175102265 Angstroms
sigma value = 33