Model name: model_name=MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.613315634429455
cohesive_energy=3.5402784386781683
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.74472228912698e-19, 2.4303577578809396e-19, 2.9282982339618e-19, 3.3400576288998e-19, 3.68277923267874e-19, 3.9739267706092194e-19, 4.2244591308677993e-19, 4.4418745001016e-19, 4.631524148268179e-19, 4.79744556048522e-19, 4.942762981189019e-19, 5.0699277406296e-19, 5.180958581365799e-19, 5.27750574533064e-19, 5.36094710442936e-19, 5.432452247604779e-19, 5.4930145243699795e-19, 5.54351513187366e-19, 5.584707093133799e-19, 5.61724730057034e-19, 5.641712537771519e-19, 5.658647544792899e-19, 5.668500931092e-19, 5.67170528436e-19, 5.66829264812958e-19, 5.65726967288766e-19, 5.637354617327039e-19, 5.60702541364542e-19, 5.564503645779059e-19, 5.50761035350572e-19, 5.433798075977339e-19, 5.339974612290299e-19, 5.22242291265372e-19, 5.076624838959719e-19, 4.89703686005466e-19, 4.676817681711359e-19, 4.40753985483498e-19, 4.0785969701084397e-19, 3.6765948308715e-19, 3.18447025597206e-19, 2.58019331669262e-19, 1.83498892068654e-19, 9.107316727711559e-20, -2.4398746870869e-20, -1.7002298440007997e-19, -3.5654037724719e-19, -6.016269391268039e-19, -9.36537931814994e-19, -1.421004102403914e-18, -2.1790243093053598e-18, -3.49252075739124e-18, -6.071015766851819e-18, -1.19204344834551e-17, -2.75082512821362e-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: 0.013667490438505828
Energy: 0.4636667838293792
Energy: 0.013812136260375038
Energy: 0.013825384693063167
Energy: 0.46313641684687124
Energy: 0.013949918120392474
Energy: 0.4636667838720348
Energy: 0.12371623277622498
Energy: 0.12441365307876291
Energy: 0.12383120193911812
Energy: 0.12362660780201623
Energy: 0.12390864825324013
Energy: 0.013812136260654062
Energy: 0.12440750609619217
Energy: 0.12441461034361773
Energy: 0.013832624719678274
Energy: 0.12370221399776275
Energy: 0.12453849377719203
Energy: 0.013825384692749267
Energy: 0.12383148697691415
Energy: 0.013832624719364372
Energy: 0.013927655210275601
Energy: 0.12386563882009947
Energy: 0.013954273256926721
Energy: 0.46313641670453476
Energy: 0.12362852213320111
Energy: 0.12370221399744885
Energy: 0.12386560561635176
Energy: 0.12358334233644097
Energy: 0.1238052205059279
Energy: 0.013949918120392474
Energy: 0.12390864714328743
Energy: 0.12453849373976811
Energy: 0.013954273257519642
Energy: 0.12380412547667123
Energy: 0.013860187440873408

minimum gb energy = 0.013667490438505828 eV
minimum distance =  2.55293892990902 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.3019180249694555
Energy: 0.8505117172059184
Energy: 0.9011113883363989
Energy: 0.8340138396389706
Energy: 1.2723232259266286
Energy: 0.8847783837260766
Energy: 1.153412364403777
Energy: 0.8368784842436314
Energy: 0.8348120120347361
Energy: 0.8300772328641033
Energy: 0.8278099220762278
Energy: 0.833670081254183
Energy: 1.312372213372491
Energy: 0.8498233825827305
Energy: 0.8330364866103882
Energy: 0.8381456092499482
Energy: 0.8496381843050668
Energy: 0.7985178350534206
Energy: 1.3153975132508526
Energy: 0.8168280866701041
Energy: 0.8261221595789916
Energy: 0.8409440226417197
Energy: 0.8573243949743029
Energy: 0.8215134607762155
Energy: 1.2031047863195814
Energy: 0.8380658028507715
Energy: 0.8346367809958977
Energy: 0.8284771443063226
Energy: 0.8374874706961603
Energy: 0.8325462147409615
Energy: 1.1776982812593118
Energy: 0.8482206341339792
Energy: 0.8473878164608794
Energy: 0.832310404396924
Energy: 0.8477286445416016
Energy: 0.831858803095304
Energy: 1.1781255330075668
Energy: 0.8017528632741826
Energy: 0.801259523503227
Energy: 0.8319822968960399
Energy: 0.7920151082187714
Energy: 0.8379075297339638
Energy: 1.07171911412357
Energy: 0.8442374542648451
Energy: 0.7515612248975707
Energy: 0.7919616586457444
Energy: 0.8469947995818551
Energy: 0.8013184739102999
Energy: 0.9596864311009469
Energy: 0.8326234019866813
Energy: 0.8319076872728861
Energy: 0.8465931043411459
Energy: 0.8329431551458917
Energy: 0.8310632336378427
Energy: 0.9567263700084543
Energy: 0.830475897265194
Energy: 0.8318390236011367
Energy: 0.8352483992610231
Energy: 0.8294421138172029
Energy: 0.8324878745258008
Energy: 0.9432573012498752
Energy: 0.8367612143005162
Energy: 0.8348161482179397
Energy: 0.830214722932557
Energy: 0.8333102138178001
Energy: 0.8250351781414464
Energy: 0.879949102067994
Energy: 0.83804831343586
Energy: 0.80487124082111
Energy: 0.8497318473347971
Energy: 0.8470093419846587
Energy: 0.8333272823682751
Energy: 0.8812482184109347
Energy: 0.831409731675414
Energy: 0.832695462974214
Energy: 0.8280346716635028
Energy: 0.8384635814896284
Energy: 0.8354853356838499
Energy: 0.956019831237365
Energy: 0.8429136289863
Energy: 0.8526024052985502
Energy: 0.8652751859117792
Energy: 0.8159281896383315
Energy: 0.8270481754430987
Energy: 0.908741601710848
Energy: 0.8295877120837117
Energy: 0.8319177475124134
Energy: 0.8253262598751572
Energy: 0.8292806831296607
Energy: 0.8333657767954278
Energy: 0.9022478160170416
Energy: 0.7938109655312598
Energy: 0.7934318091530274
Energy: 0.8682756584083045
Energy: 0.8376989471744068
Energy: 0.835157140716086
Energy: 1.1027138408591741
Energy: 0.8354240415933533
Energy: 0.7893626572941923
Energy: 0.8115980907299111
Energy: 0.8388541704800572
Energy: 0.8287639806893674
Energy: 1.0523377786100865
Energy: 0.7945587003721003
Energy: 0.8353440860790405
Energy: 0.8442262910262824
Energy: 0.7941694160088596
Energy: 0.8407007926938956
Energy: 1.051545136038437
Energy: 0.8410414653274041
Energy: 0.8411716923199263
Energy: 0.8383317124840436
Energy: 0.8425741331599108
Energy: 0.8391690765532315
Energy: 1.050242720985951
Energy: 0.8326186700484542
Energy: 0.8336018484056772
Energy: 0.7931749610312335
Energy: 0.8324099648381443
Energy: 0.8331443682916636
Energy: 1.2431686733275542
Energy: 0.811114491752171
Energy: 0.8157181437037518
Energy: 0.8346316882716343
Energy: 0.8619808488366879
Energy: 0.8153291288942521
Energy: 1.2461654269434959
Energy: 0.8665804758881313
Energy: 0.8288610108765199
Energy: 0.8261017530064801
Energy: 0.8686517968750166
Energy: 0.7937006787012959
Energy: 1.2802865824758465
Energy: 0.8382994330620023
Energy: 0.8330065839565945
Energy: 0.8306346285792305
Energy: 0.8246368125639442
Energy: 0.8320648792081874

minimum gb energy = 0.7515612248975707 eV
minimum distance =  2.37981659293294 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.5555666885425594
Energy: 0.8776528038793887
Energy: 0.9110758544451268
Energy: 0.9090625156336138
Energy: 0.8864501076981295
Energy: 0.9922179480327463
Energy: 0.9705794365791659
Energy: 0.8632275822447104
Energy: 0.8319750007837815
Energy: 0.871229644658066
Energy: 0.8661558550820423
Energy: 0.844180651652041
Energy: 0.9205672821883587
Energy: 0.8645351388385609
Energy: 0.8758144119394641
Energy: 0.9275385926915705
Energy: 0.8454928159339233
Energy: 0.8541377709410582
Energy: 0.9378603813819
Energy: 0.9658574621019814
Energy: 0.8862559121573129
Energy: 0.920197073149782
Energy: 0.951845274631193
Energy: 0.9191881312287448
Energy: 0.8602573044149995
Energy: 0.8346614788024278
Energy: 0.8557421076957723
Energy: 0.8392931702880775
Energy: 0.8591025085595491
Energy: 0.8618315076949372
Energy: 1.0004471547070926
Energy: 1.016639965439435
Energy: 0.9075504098943643
Energy: 0.9327196181054236
Energy: 0.9331436606172283
Energy: 0.9525618507358586
Energy: 1.2583493722492465
Energy: 0.9628607679943042
Energy: 0.9444549629733925
Energy: 0.8800685725596911
Energy: 0.9621085431834974
Energy: 0.942448840647197
Energy: 0.9438892180350273
Energy: 0.9033403782609454
Energy: 0.9031139984867121
Energy: 0.8586141366379295
Energy: 0.9168174760261176
Energy: 0.9170610919586797
Energy: 1.02487886840158
Energy: 0.9217214361467895
Energy: 0.9315530128149891
Energy: 0.9419856833270315
Energy: 0.9230083783751657
Energy: 0.9317099194310317
Energy: 0.9394551018206795
Energy: 0.9152638834725416
Energy: 0.9147941682383731
Energy: 0.920471804244487
Energy: 0.9316442906705481
Energy: 0.9383613902630866
Energy: 0.9815278459151084
Energy: 0.8636406165344088
Energy: 0.8923924902751912
Energy: 0.9192291968113603
Energy: 0.8261132897462307
Energy: 0.8526344531624325
Energy: 0.9607249659389013
Energy: 0.8628105263822062
Energy: 0.9241525753186799
Energy: 0.9445433972889563
Energy: 0.8414608965548553
Energy: 0.9033411020912725
Energy: 0.9470342280425521
Energy: 0.9293024352185292
Energy: 0.930628111848772
Energy: 0.947363136897709
Energy: 0.9381218149800613
Energy: 0.9345937459772379
Energy: 0.9671607365388313
Energy: 0.919004147814794
Energy: 0.9196479208839037
Energy: 0.9447339180910349
Energy: 0.9219561867959167
Energy: 0.9199633688925384
Energy: 1.0407551062719858
Energy: 0.9320557335401682
Energy: 0.9342377551721526
Energy: 1.0289712244882545
Energy: 0.9306917704610952
Energy: 0.9376011203685128
Energy: 1.02834832705455
Energy: 1.0110470998157026
Energy: 1.0092679222101395
Energy: 1.0261817171802086
Energy: 0.9410633890259952
Energy: 0.9389341541405171
Energy: 1.0265077310068556
Energy: 1.017480888854948
Energy: 1.0153422552936546
Energy: 1.0273996671930345
Energy: 0.949500123611427
Energy: 1.0188725282108857
Energy: 1.0933719575078773
Energy: 0.9380856299592238
Energy: 0.939095756634769
Energy: 0.9155775098759038
Energy: 0.9340893074267247
Energy: 0.9152128396145606
Energy: 0.944219495746064
Energy: 0.9992063852372529
Energy: 0.9983052969583583
Energy: 0.9222008994966818
Energy: 1.0194975544438936
Energy: 0.9990398309600528
Energy: 0.9315615580259643
Energy: 0.9911448866869093
Energy: 0.9901398294225787
Energy: 0.9993607499522936
Energy: 0.9875978454742282
Energy: 0.97848788566692
Energy: 1.3266999754872402
Energy: 0.9426111800210625
Energy: 0.859014987290704
Energy: 0.8276990932820553
Energy: 0.9475869597051604
Energy: 0.8527106502862482
Energy: 0.8536120778778852
Energy: 1.008356778575152
Energy: 0.984501838610731
Energy: 0.8431420198643332
Energy: 1.0102645657537634
Energy: 0.9195213006661662
Energy: 1.0054794244725043
Energy: 0.9869415834524631
Energy: 0.9962122155012144
Energy: 0.9953451031293366
Energy: 1.0219924899478965
Energy: 0.9964498467018718
Energy: 0.9452445684568392
Energy: 1.0715250522142898
Energy: 1.0406637693993586
Energy: 0.9029953121666201
Energy: 1.0284269022697965
Energy: 0.9378560751901741
Energy: 0.9753115572303414
Energy: 0.941258120856112
Energy: 1.007788847109993
Energy: 0.9998083853652875
Energy: 1.0036814774434608
Energy: 1.0046697126233648
Energy: 0.9901780942947581
Energy: 1.0244391256704222
Energy: 0.9643332735570573
Energy: 1.0177738107591492
Energy: 1.0258800729578395
Energy: 1.0048331033287439
Energy: 1.2806263709447365
Energy: 0.9485838621813312
Energy: 0.9523683006183374
Energy: 1.0247055015381323
Energy: 0.9588019789096428
Energy: 1.0218311378884426
Energy: 1.071180441137039
Energy: 0.9278988595013014
Energy: 0.9218969803275258
Energy: 0.9273773934667593
Energy: 0.907605149129522
Energy: 0.9398497926170535
Energy: 1.0116567683653017
Energy: 0.915593708373547
Energy: 0.914691871498816
Energy: 0.9473436206521383
Energy: 0.9151037164765302
Energy: 0.9273208218900072
Energy: 0.9373545933472249
Energy: 0.9365669079554936
Energy: 0.9242335684405888
Energy: 0.9355393917561974
Energy: 1.0290233343216797
Energy: 0.9232139870367116
Energy: 0.9576075724131912
Energy: 0.8529570877289703
Energy: 0.8527285920031915
Energy: 0.9567676314070374
Energy: 0.8736300387041204
Energy: 0.8878297704577666
Energy: 0.9628582049029072
Energy: 0.8446705774264193
Energy: 0.8438713964360401
Energy: 0.958762461495736
Energy: 0.8644636695462397
Energy: 0.929434139597177
Energy: 0.9443763988373158
Energy: 0.9382233426139259
Energy: 0.9288233679186539
Energy: 0.9436585372877434
Energy: 1.0231581882886427
Energy: 0.9045147773625102
Energy: 0.9450646284557223
Energy: 0.9028792874178818
Energy: 0.9195867760666587
Energy: 0.9446984861625595
Energy: 0.9025282892442088
Energy: 0.9200290075748694
Energy: 0.9594723174589689
Energy: 0.940494142790834
Energy: 0.9394132147976179
Energy: 0.8860724043543736
Energy: 0.9319907575983402
Energy: 0.9467054335791365
Energy: 1.033440012572082
Energy: 0.944953588737679
Energy: 0.9455242786237933
Energy: 1.0259172870483904
Energy: 1.0039910256076565
Energy: 0.9999273376612564
Energy: 1.0200565327321063
Energy: 0.8728026616872324
Energy: 0.869820792380304
Energy: 0.8775663655127979
Energy: 0.8578087558855477
Energy: 0.8634653851169628
Energy: 0.9904529775158263
Energy: 0.9224367581223899
Energy: 0.8637960059691926
Energy: 0.9209580115935457
Energy: 0.8668694499252436
Energy: 0.8607483271533656
Energy: 1.0924190257209248
Energy: 0.8418080142449957
Energy: 0.8659302461981083
Energy: 0.9158814945721779
Energy: 0.8654924677288685
Energy: 0.902923695193044
Energy: 0.8584703198699399
Energy: 0.8625849901682348
Energy: 0.8543626347462498
Energy: 0.8546055485040593
Energy: 0.8629918077284474
Energy: 0.853537186984791
Energy: 0.9292519473396821
Energy: 0.8909198717818348
Energy: 0.86467916065678
Energy: 0.8531288463310946
Energy: 0.8916609521234891
Energy: 0.9263889226076525

minimum gb energy = 0.8261132897462307 eV
minimum distance =  2.31573584288532 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.351706396879061
Energy: 0.8791762114773083
Energy: 0.8726175351246815
Energy: 0.858308778866701
Energy: 0.8837168719280037
Energy: 0.8591132198249098
Energy: 1.0308968600609345
Energy: 0.8813625818087809
Energy: 0.8348507627741847
Energy: 0.8401272757403107
Energy: 0.8814141125418509
Energy: 0.8647939183338761
Energy: 1.2041407707230147
Energy: 0.8757363319090568
Energy: 0.9001184289361124
Energy: 0.8725521462928335
Energy: 0.8987598274813381
Energy: 0.8688810298467632
Energy: 1.2017035291372677
Energy: 0.8629277352149386
Energy: 0.8478294942568653
Energy: 0.866892728341703
Energy: 0.8975293460467033
Energy: 0.8332823672772218
Energy: 1.0311709284162365
Energy: 0.8897743174253752
Energy: 0.8533895702333946
Energy: 0.8422676171099837
Energy: 0.8382680713272833
Energy: 0.8652267908597028
Energy: 1.0305920885569448
Energy: 0.8910992062945229
Energy: 0.8628971545346389
Energy: 0.8382962641157325
Energy: 0.8621643089836301
Energy: 0.8544137897832645
Energy: 1.03065922038526
Energy: 0.8392796773379404
Energy: 0.8229793281187218
Energy: 0.8386077935341597
Energy: 0.8384388196851027
Energy: 0.8231834516808108
Energy: 1.0481289840430363
Energy: 0.8470487154674019
Energy: 0.8469359732964421
Energy: 0.8981383389293367
Energy: 0.8471648544860597
Energy: 0.8576312582919788
Energy: 0.8982798527330419
Energy: 0.8637343038001545
Energy: 0.8433984009972698
Energy: 0.8984961773993112
Energy: 0.8680975435083641
Energy: 0.9014416449530566
Energy: 0.9042360191631837
Energy: 0.8637300598248927
Energy: 0.8650229051982722
Energy: 0.9042926817809722
Energy: 0.8633956916548727
Energy: 0.8684303683343509
Energy: 0.8984948304141607
Energy: 0.8405204024007168
Energy: 0.8407269714757388
Energy: 0.8987467151671054
Energy: 0.8441328294188221
Energy: 0.8676715816932485
Energy: 0.9294246848059626
Energy: 0.863583140995389
Energy: 0.8640813576045517
Energy: 0.878416861420101
Energy: 0.8608905568333056
Energy: 0.8728415101477106
Energy: 0.9280896409417084
Energy: 0.8818330401395236
Energy: 0.8742052228663867
Energy: 0.8972740889586314
Energy: 0.8856879322106097
Energy: 0.8871342104372394
Energy: 0.9291593344735699
Energy: 0.8349799682780331
Energy: 0.8347107401287588
Energy: 0.8667649521988171
Energy: 0.8695735113936561
Energy: 0.8350346486595762
Energy: 1.0935282542019893
Energy: 0.8673584990574211
Energy: 0.8374189520523394
Energy: 0.8208444186080307
Energy: 0.875320462466895
Energy: 0.8369477123316256
Energy: 1.0933015578499665
Energy: 0.8833506638439265
Energy: 0.901928497023507
Energy: 0.8208948783239152
Energy: 0.8983636482112831
Energy: 0.8774901467761995
Energy: 1.1148025463229936
Energy: 0.8977362666997898
Energy: 0.8824102797188986
Energy: 0.8631977876161147
Energy: 0.8982159180754125
Energy: 0.8687318729600028
Energy: 1.3115264116319152
Energy: 0.8612581119355756
Energy: 0.8171918499848144
Energy: 0.8472932503345717
Energy: 0.8611572649078945
Energy: 0.8212111835301174

minimum gb energy = 0.8171918499848144 eV
minimum distance =  2.3938413732661 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.2286725073585922
Energy: 0.8414518801153681
Energy: 0.8725370280803827
Energy: 0.858674611817937
Energy: 0.8621787635870672
Energy: 0.9287853407775596
Energy: 1.0883831498114436
Energy: 0.8454315936855288
Energy: 0.8508180644406389
Energy: 0.885852684090251
Energy: 0.8507400271492458
Energy: 0.8408358064038662
Energy: 1.294353834949609
Energy: 0.8524853994701667
Energy: 0.8619570803235812
Energy: 0.8948781688636507
Energy: 0.8458666524782393
Energy: 0.8550855850214905
Energy: 1.0217863509865421
Energy: 0.845321043073356
Energy: 0.8669657285229111
Energy: 0.9082710440162609
Energy: 0.8671976196484005
Energy: 0.8670938837452837
Energy: 1.0886943840599916
Energy: 0.8455995416294585
Energy: 0.8456175499957647
Energy: 0.8398491196977383
Energy: 0.8455198077884274
Energy: 0.8861225260451301
Energy: 1.0728773345796452
Energy: 0.8630471010626996
Energy: 0.9831679015081314
Energy: 0.986131153555961
Energy: 0.8629927937830029
Energy: 0.9655755954465622
Energy: 1.0729720394342366
Energy: 0.9443412662671135
Energy: 0.9668193998463668
Energy: 0.9819045254402783
Energy: 0.8395719425490397
Energy: 0.9664345112547154
Energy: 1.0726155904710912
Energy: 0.839884027206498
Energy: 0.8232538169588909
Energy: 0.8562443518668927
Energy: 0.8409107256841735
Energy: 0.8157406149871733
Energy: 0.9501720540452279
Energy: 0.835544498637984
Energy: 0.8083837019355647
Energy: 0.9496999064248371
Energy: 0.8407850151485526
Energy: 0.8158863048602684
Energy: 0.9515989049097837
Energy: 0.9337092849874633
Energy: 0.9324565002540395
Energy: 0.9501396946356957
Energy: 0.990492015303191
Energy: 0.9504156290185422
Energy: 0.9529099954777404
Energy: 0.9081258078466734
Energy: 0.9306377583530749
Energy: 0.9523660750828984
Energy: 0.908140994896184
Energy: 0.9531378112206247
Energy: 1.021587225864387
Energy: 0.9784892207588607
Energy: 0.9674426317516595
Energy: 0.9457927697340704
Energy: 0.9794787532049599
Energy: 0.9451769842804795
Energy: 0.8631713555791997
Energy: 0.9855664967092788
Energy: 0.9831434590245145
Energy: 0.8647170087438276
Energy: 0.9856743501530292
Energy: 0.9778226461458682
Energy: 1.021751695646716
Energy: 0.9826486469498219
Energy: 0.9824313021037377
Energy: 0.9600226011334146
Energy: 0.984154731186883
Energy: 0.9619748284973726
Energy: 1.1280408027091244
Energy: 0.9502693060531567
Energy: 0.950427538970068
Energy: 0.8415222994949688
Energy: 0.9501460187792844
Energy: 0.8159682533315092
Energy: 1.1274484737053774
Energy: 0.9493780608964498
Energy: 0.8156984509515988
Energy: 0.84083899592324
Energy: 0.9670939101060919
Energy: 0.8145327447970598
Energy: 1.1036747233499102
Energy: 0.9504082428217
Energy: 0.9504136114235006
Energy: 0.9963464308879786
Energy: 0.9507352023216815
Energy: 0.9327458583064763
Energy: 1.0229300743956475
Energy: 0.9506425807523525
Energy: 0.950951643486906
Energy: 0.9084800774958729
Energy: 0.9508453084225517
Energy: 0.9511941351856662
Energy: 1.0222163590930429
Energy: 0.950188583162514
Energy: 0.9502694878077912
Energy: 0.9082170194953205
Energy: 0.9524104747651524
Energy: 0.9253377827220964
Energy: 1.0917849392480816
Energy: 0.863032372585249
Energy: 0.9823912805259756
Energy: 1.0041186624055813
Energy: 0.8629955622978133
Energy: 0.982044687043152
Energy: 1.0903350255689037
Energy: 0.9616672978994726
Energy: 0.958038767856256
Energy: 0.9855318033229428
Energy: 0.9520533277533589
Energy: 0.9849556131996966
Energy: 1.090255137371442
Energy: 0.9552633214075363
Energy: 0.963747222736181
Energy: 0.9510803322699791
Energy: 0.9345679637710121
Energy: 0.9507589153660299
Energy: 1.0768403443935903
Energy: 0.837317932174863
Energy: 0.8246340606514697
Energy: 0.9710897707074598
Energy: 0.8370713395775414
Energy: 0.885482172255632
Energy: 0.9338269023469784
Energy: 0.9901437014645698
Energy: 0.8375045806307299
Energy: 0.9509313854155791
Energy: 0.857017140019119
Energy: 0.9337687653198835
Energy: 0.9336630523289173
Energy: 0.8756416699762033
Energy: 0.9334935879303677
Energy: 0.9506269158826667
Energy: 0.8906568889833937
Energy: 0.9336731952310995
Energy: 1.0488909829290887
Energy: 0.9101415058603789
Energy: 0.9091592948862829
Energy: 0.8669693899175049
Energy: 0.908285712582492
Energy: 0.9503354866042143
Energy: 1.0745243263893096
Energy: 0.8509966514328057
Energy: 0.8887101273038229
Energy: 0.850702210384283
Energy: 0.8506703313384376
Energy: 0.8890621869304202
Energy: 0.862647058786498
Energy: 0.8791129124637269
Energy: 0.8845738472244881
Energy: 0.8630598926843979
Energy: 0.8904825073413728
Energy: 0.8890354741356997
Energy: 1.0667890777056503
Energy: 0.8788841804351917
Energy: 0.8793634220588558
Energy: 0.8488292506387057
Energy: 0.8879311946124149
Energy: 0.8791765439839242
Energy: 1.2126320918265936
Energy: 0.9009907717686337
Energy: 0.8157243097855037
Energy: 0.8410132570331228
Energy: 0.9005254079266016
Energy: 0.8839090119646117

minimum gb energy = 0.8083837019355647 eV
minimum distance =  2.34513611035893 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.9631417088615633
Energy: 0.7654098571565952
Energy: 0.8058453208042121
Energy: 0.7893759833355124
Energy: 0.785380662186745
Energy: 0.869653124645513
Energy: 0.9492320582289125
Energy: 0.7779709865259165
Energy: 0.7757109675658848
Energy: 0.7627651908509686
Energy: 0.8231597585506757
Energy: 0.7490893898292529
Energy: 0.8673420705853877
Energy: 0.7772652990026692
Energy: 0.7763078604830137
Energy: 0.7512076079431094
Energy: 0.8232877986803995
Energy: 0.7766152369578325
Energy: 0.8694742990659008
Energy: 0.771553838365779
Energy: 0.7766417211673047
Energy: 0.7638627579192788
Energy: 0.7694548453709072
Energy: 0.7486258415478184
Energy: 0.9502048094301307
Energy: 0.7701643167301726
Energy: 0.7492929284048759
Energy: 0.7968628236033368
Energy: 0.7604519117490108
Energy: 0.748994713778386
Energy: 0.8215899767857889
Energy: 0.7583550850892855
Energy: 0.7599405658750866
Energy: 0.8219132428566518
Energy: 0.758854170822047
Energy: 0.7364520992092844
Energy: 0.82341590422974
Energy: 0.7620388161925279
Energy: 0.777505823084036
Energy: 0.8235560785511177
Energy: 0.7636846170151304
Energy: 0.7776400996861318
Energy: 0.7937894639416778
Energy: 0.7590037676670219
Energy: 0.7852791508876481
Energy: 0.844678817462803
Energy: 0.7584954920206546
Energy: 0.7963625759511086
Energy: 0.8687146451578621
Energy: 0.7580941075601332
Energy: 0.7491647814171079
Energy: 0.8222740313685674
Energy: 0.7617365247353484
Energy: 0.7767569101942283
Energy: 0.8685414712634211
Energy: 0.7932874219793556
Energy: 0.8030878145906696
Energy: 0.7918089294349773
Energy: 0.7647009620036718
Energy: 0.7779193532596843
Energy: 0.867988267954068
Energy: 0.7957309801858227
Energy: 0.7928006761191739
Energy: 0.778053551077694
Energy: 0.7979664384778553
Energy: 0.7927443193918718
Energy: 0.8679529954568638
Energy: 0.7760210447354221
Energy: 0.7762526216259933
Energy: 0.7624206017001757
Energy: 0.7773087495234592
Energy: 0.74901231679368

minimum gb energy = 0.7364520992092844 eV
minimum distance =  2.43065838079625 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.6364780234087843
Energy: 0.7781944409895476
Energy: 0.6859698903792295
Energy: 0.6802597849908752
Energy: 1.0660277629405148
Energy: 0.6823556884944987
Energy: 0.7320213172776481
Energy: 0.6943141632037885
Energy: 0.6847516475195199
Energy: 0.6762480595123829
Energy: 0.7036946504542603
Energy: 0.6783514617405384
Energy: 0.7289651471129637
Energy: 0.6951478482106619
Energy: 0.6945718117873433
Energy: 0.7036947123599112
Energy: 0.7050349091125311
Energy: 0.6953309006889321
Energy: 0.8624868508506044
Energy: 0.6704615237763756
Energy: 0.6712916416187159
Energy: 0.7006620535744366
Energy: 0.7046233387396633
Energy: 0.6750107464510243
Energy: 0.7795618258879142
Energy: 0.6858636951395704
Energy: 0.7011213781944031
Energy: 0.7165625112354628
Energy: 0.7065419883866543
Energy: 0.6869056292624062
Energy: 0.7270456666850572
Energy: 0.6759071291680266
Energy: 0.6643197603659399
Energy: 0.7117449329784009
Energy: 0.6838635426802243
Energy: 0.6669790920605083
Energy: 0.7177271935310402
Energy: 0.6712937718842286
Energy: 0.6711251310064652
Energy: 0.717818133857737
Energy: 0.67259790274454
Energy: 0.7167814058931483
Energy: 0.7087443981335706
Energy: 0.6724838349420271
Energy: 0.6757560336685153
Energy: 0.7072072612000289
Energy: 0.6816287346474051
Energy: 0.7006125344186654
Energy: 0.8527421860323173
Energy: 0.6973303590371667
Energy: 0.6814095761380551
Energy: 0.7255920132160372
Energy: 0.7080513483575048
Energy: 0.7077705207481144
Energy: 0.9406139258827172
Energy: 0.6784558372903512
Energy: 0.6788334314748212
Energy: 0.7052759097275286
Energy: 0.6776443471457588
Energy: 0.6828119011182349
Energy: 0.67212862545001
Energy: 0.7109680423945723
Energy: 0.6874621112890787
Energy: 0.7190407722907062
Energy: 0.7175060374476945
Energy: 0.6831081288164866
Energy: 0.864911413437088
Energy: 0.7176829498061958
Energy: 0.71127542738134
Energy: 0.6840867908376373
Energy: 0.7171856311948361
Energy: 0.687845194346037
Energy: 0.9815251576988155
Energy: 0.6825355786896885
Energy: 0.690373549135797
Energy: 0.6737199166309666
Energy: 0.6916405665456152
Energy: 0.6851438153882549
Energy: 0.8649288645093318
Energy: 0.6929367528859134
Energy: 0.6823649788147306
Energy: 0.6846773353041306
Energy: 0.7181192907553081
Energy: 0.6881236692513522
Energy: 0.7042026186547409
Energy: 0.678333018116392
Energy: 0.6758495572041876
Energy: 0.7033983120142732
Energy: 0.677447063188795
Energy: 0.7023820648046656
Energy: 0.7035281245160047
Energy: 0.6778332272572455
Energy: 0.6805220480909252
Energy: 0.7036388352774302
Energy: 0.6946789480175027
Energy: 0.6960502283963207
Energy: 0.7023615742375128
Energy: 0.6705214349412121
Energy: 0.6844926278677378
Energy: 0.7023327587567672
Energy: 0.6839592504955313
Energy: 0.6808129703832272
Energy: 0.764692649669406
Energy: 0.6783440208056666
Energy: 0.6858209866345558
Energy: 0.8147483427797628
Energy: 0.6786687485946955
Energy: 0.6967195602439991
Energy: 0.7296331178313509
Energy: 0.6773728344653248
Energy: 0.6755243054414297
Energy: 0.7032112009630395
Energy: 0.6788191695763213
Energy: 0.6824681313962165
Energy: 0.728312859986832
Energy: 0.6829720291123403
Energy: 0.6871868693959435
Energy: 0.6819514577659017
Energy: 0.6819351455004332
Energy: 0.6788613858637584
Energy: 0.7292892227806308
Energy: 0.6941573330971945
Energy: 0.6811867596752214
Energy: 0.6996603729356674
Energy: 0.6842301397034078
Energy: 0.6803012083836842
Energy: 0.7635429599013032
Energy: 0.6834416638361854
Energy: 0.6999750278798073
Energy: 0.6797934763321383
Energy: 0.6838897482861803
Energy: 0.6619340375720949
Energy: 0.7698564542588642
Energy: 0.6834104634984747
Energy: 0.6817348428437168
Energy: 0.6985029028782428
Energy: 0.6935632454120604
Energy: 0.6534548208809072
Energy: 0.7288976381995221
Energy: 0.6950044527452885
Energy: 0.6956588495600473
Energy: 0.7071472918027816
Energy: 0.7038870611025793
Energy: 0.6966045232560932
Energy: 0.9885290196269272
Energy: 0.7031875728604906
Energy: 0.6922676605173705
Energy: 0.6867752123624968
Energy: 0.7034073453402626
Energy: 0.7035126941885393
Energy: 0.7278856659536829
Energy: 0.6724398701547029
Energy: 0.687209910519406
Energy: 0.7169605477372948
Energy: 0.6725371242401237
Energy: 0.6893838108808518
Energy: 0.6703461119459025
Energy: 0.6969694221116601
Energy: 0.6884679209070137
Energy: 0.6704409153717266
Energy: 0.6872239994523162
Energy: 0.6846779882640944
Energy: 0.7176688849899214
Energy: 0.6710788046141543
Energy: 0.6723238454337053
Energy: 0.717670577341947
Energy: 0.6849655724881294
Energy: 0.6871397796000324
Energy: 0.7175138208894888
Energy: 0.6714026355447094
Energy: 0.6738576162878402
Energy: 0.7177447182606349
Energy: 0.7077020440187021
Energy: 0.684883675619424
Energy: 0.7139377046113226
Energy: 0.6795745054239067
Energy: 0.6771014335312409
Energy: 0.7181410043756421
Energy: 0.6817589626754871
Energy: 0.6771611702198138
Energy: 0.6721593639548032
Energy: 0.6714704468727943
Energy: 0.6715217760430193
Energy: 0.7073842799023262
Energy: 0.6992312302620269
Energy: 0.6840472545863857
Energy: 0.9390317811974432
Energy: 0.7008996414402422
Energy: 0.676743068022024
Energy: 0.6852104776586335
Energy: 0.7005192412294569
Energy: 0.6830423248771191
Energy: 0.8653723021512032
Energy: 0.7013084271373112
Energy: 0.7115192369883052
Energy: 0.7207629978578233
Energy: 0.7189955765054529
Energy: 0.6707404266062382
Energy: 0.8518635186025892
Energy: 0.7023949876348984
Energy: 0.6957758349557972
Energy: 0.6866380581559677
Energy: 0.7078529150027152
Energy: 0.673376562158857
Energy: 0.7205226473670796
Energy: 0.6879940782205995
Energy: 0.683861728033299
Energy: 0.7001079077703587
Energy: 0.717520921810774
Energy: 0.6894556415966316
Energy: 0.7240894705619624
Energy: 0.6830875430516157
Energy: 0.6749487659622904
Energy: 0.6933117566481594
Energy: 0.679905531078875
Energy: 0.6744666653624481
Energy: 0.7030420839438667
Energy: 0.7006642880878502
Energy: 0.6891999334419874
Energy: 0.7040162427790638
Energy: 0.6988504936342455
Energy: 0.694308557550714
Energy: 0.7024822019822294
Energy: 0.6775869416319075
Energy: 0.6770350682504073
Energy: 0.7023701642801311
Energy: 0.6775313531359511
Energy: 0.6778554681473975
Energy: 0.8712605262416948
Energy: 0.6767012575324002
Energy: 0.6778742677713068
Energy: 0.8712627869830503
Energy: 0.6755638295602086
Energy: 0.8651098678443322
Energy: 0.7288868497283595
Energy: 0.6775416917485649
Energy: 0.6783611626849338
Energy: 0.7029605894409557
Energy: 0.6770713587816153
Energy: 0.6762604794559703
Energy: 0.7273897537755621
Energy: 0.6732718166857753
Energy: 0.6777486391618166
Energy: 0.6833389103103611
Energy: 0.6846958451127161
Energy: 0.6841970893471075
Energy: 0.7315616874829802
Energy: 0.6845245717959632
Energy: 0.6858748652372876
Energy: 0.6974083455862935
Energy: 0.6822589382148554
Energy: 0.6868062024217623
Energy: 0.7632541805518878
Energy: 0.6822132457385075
Energy: 0.6818394187740617
Energy: 0.6969866833953094
Energy: 0.6940538643086475
Energy: 0.6533044534706899

minimum gb energy = 0.6533044534706899 eV
minimum distance =  2.35370300169954 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.6249114018451338
Energy: 0.5916209832871998
Energy: 0.3490325007835025
Energy: 0.3304560492913591
Energy: 0.6018161957655789
Energy: 0.6215408629161552
Energy: 0.8050909160626601
Energy: 0.5990228378367255
Energy: 0.6096601299685356
Energy: 0.5613166774757304
Energy: 0.5618720678734043
Energy: 0.5891773743379131
Energy: 0.7416520463625911
Energy: 0.863214781951931
Energy: 0.5774401726405982
Energy: 0.577024324911383
Energy: 0.5798518572486357
Energy: 0.8555004084744079
Energy: 0.7412803693787728
Energy: 0.776342140693585
Energy: 0.5767444281793178
Energy: 0.7279092256801719
Energy: 0.7402633272340695
Energy: 0.7497308706009572
Energy: 0.805573739011611
Energy: 0.47913234952004613
Energy: 0.48779835772970115
Energy: 0.5812358964425443
Energy: 0.3314531250811762
Energy: 0.7266036401855609
Energy: 0.7315524381032471
Energy: 0.47773326726490906
Energy: 0.47897012439353776
Energy: 0.7306759864556495
Energy: 0.3310178164317026
Energy: 0.3480273209178864
Energy: 0.7728207815133488
Energy: 0.7694015297417778
Energy: 0.7380389384250879
Energy: 0.7346952990551538
Energy: 0.7253862468169496
Energy: 0.5745570198431116
Energy: 0.8161261442207499
Energy: 0.8684696401551817
Energy: 0.8894472053009705
Energy: 0.7335142968213638
Energy: 0.8894689345942026
Energy: 0.7333988576015786
Energy: 0.9375999817652658
Energy: 0.8811947978382474
Energy: 0.8633151052535748
Energy: 0.8904426587205034
Energy: 0.8887563425646375
Energy: 0.8560157123130434
Energy: 0.32998296927575027
Energy: 0.7712025095172074
Energy: 0.35041224514194086
Energy: 0.33051580193080093
Energy: 0.904020950518388
Energy: 0.3353651000336179
Energy: 0.33004594522157565
Energy: 0.5922030132662907
Energy: 0.8880458690594287
Energy: 0.3306950637720821
Energy: 0.7712981561772393
Energy: 0.3340070707863172
Energy: 0.7744043538954152
Energy: 0.8862770464272968
Energy: 0.8784451673137973
Energy: 0.87826383946153
Energy: 0.8840787341206924
Energy: 0.8750251311646641
Energy: 0.8581494562810184
Energy: 0.7658221173497509
Energy: 0.7755595025738071
Energy: 0.7377705411711519
Energy: 0.9067794492284568
Energy: 0.7729273797120318
Energy: 0.7990250418943488
Energy: 0.7417041235310204
Energy: 0.7404406758581961
Energy: 0.7386597711940219
Energy: 0.7684604349903921
Energy: 0.7402171094614597
Energy: 0.5867651038301284
Energy: 0.3356082106369828
Energy: 0.33215631737670237
Energy: 0.8065184837548163
Energy: 0.4767999924292827
Energy: 0.47890151637692124
Energy: 0.7791251479925704
Energy: 0.7370824175178191
Energy: 0.7341239590830642
Energy: 0.7354132941432417
Energy: 0.4780753913960868
Energy: 0.7407860124713589
Energy: 0.7827045651224641
Energy: 0.7414247856136876
Energy: 0.73601767163859
Energy: 0.7878913108573187
Energy: 0.6465552071556525
Energy: 0.8195283401410819
Energy: 0.7428795095337827
Energy: 0.5769130215134874
Energy: 0.5781041701391754
Energy: 0.5613472253199211
Energy: 0.5813950979181156
Energy: 0.8660608906512378
Energy: 0.6256940137197942
Energy: 0.5614992054408253
Energy: 0.5744072909474714
Energy: 0.33087558528898603
Energy: 0.58282288112298
Energy: 0.5731139426736211

minimum gb energy = 0.32998296927575027 eV
minimum distance =  2.3461014266393 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.3567018306186907
Energy: 0.5467100214447995
Energy: 0.6816170132254321
Energy: 0.5903609817758813
Energy: 0.5449685028571173
Energy: 0.673028837654111
Energy: 0.5449145731505866
Energy: 0.5695302778076462
Energy: 0.5534613763816879
Energy: 0.5466297978593614
Energy: 0.5483988129330652
Energy: 0.546904664278605
Energy: 0.5518844767154123
Energy: 0.5479595528142897
Energy: 0.5505397220661605
Energy: 0.5511931506762748
Energy: 0.5474688963863479
Energy: 0.550481021538893
Energy: 0.5511742606736744
Energy: 0.5486552470692494
Energy: 0.5519352996544369
Energy: 0.5506291443331452
Energy: 0.5478063302868579
Energy: 0.5568753860226158
Energy: 0.5450349982078483
Energy: 0.6489894808973462
Energy: 0.6503948110026013
Energy: 0.5640592422915732
Energy: 0.6233816214720685
Energy: 0.5524344348475067
Energy: 0.5887415590313744
Energy: 0.6140835968555969
Energy: 0.6096944191819875
Energy: 0.5448570902178341
Energy: 0.7258175893848114
Energy: 0.6534808043888923
Energy: 0.5927000152219358
Energy: 0.5511221779435754
Energy: 0.5544944511564969
Energy: 0.5467251233769242
Energy: 0.5498637891234298
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Energy: 0.5597962981070745
Energy: 0.5506237411978421
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Energy: 0.5567028190838902
Energy: 0.556803559989203
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Energy: 0.5528626830925681
Energy: 0.6168963866391676
Energy: 0.572198998136797
Energy: 0.5491406346948505
Energy: 0.6072281849717928
Energy: 0.8182602806528079
Energy: 0.599703750721737
Energy: 0.6517391531265366
Energy: 0.5624051840482264
Energy: 0.5991266007118239
Energy: 0.6022108468719574
Energy: 0.6237610634045218
Energy: 0.5999720988603396
Energy: 0.5989633975326092
Energy: 0.6079420782143379
Energy: 0.5977096025559666
Energy: 0.59785185055475
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Energy: 0.5484855366967428
Energy: 0.6813562527384998
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Energy: 0.5563111759579996
Energy: 0.6717205877944727
Energy: 0.5429545804694317
Energy: 0.5341822982048181
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Energy: 0.5406899576049465
Energy: 0.5512217271823304
Energy: 0.6712710170321564
Energy: 0.6558912327568786
Energy: 0.6504529988462531
Energy: 0.6577207618331883
Energy: 0.6558380104464935
Energy: 0.6507474691134474
Energy: 0.6950006930533956
Energy: 0.5474293969643216
Energy: 0.5477827668577165
Energy: 0.6271559422435061
Energy: 0.7317018285551123
Energy: 0.6613260543791163
Energy: 0.8331610202615314
Energy: 0.6581188830058816
Energy: 0.6513429700428273
Energy: 0.6620429189505144
Energy: 0.6585934881976228
Energy: 0.6502406241722305
Energy: 0.9239147162135326
Energy: 0.6022469105700955
Energy: 0.5348745953045979
Energy: 0.8651619680490445
Energy: 0.6213109101452068
Energy: 0.5331783031858753
Energy: 0.6308953500800838
Energy: 0.6603796230703338
Energy: 0.6548831729309545
Energy: 0.5583144117178619
Energy: 0.662002878996223
Energy: 0.6480333158746723
Energy: 0.6285276148589376
Energy: 0.6116289872107873
Energy: 0.6083998900802414
Energy: 0.547857292622393
Energy: 0.568349360209152
Energy: 0.601723207753685
Energy: 0.7415069199223304
Energy: 0.5671658322447309
Energy: 0.5688867730339385
Energy: 0.5501954877284512
Energy: 0.5923808838580863
Energy: 0.5765454654156684
Energy: 0.8331339448514713
Energy: 0.6012997295582978
Energy: 0.5981320380789742
Energy: 0.598507842694239
Energy: 0.6528707437021045
Energy: 0.5959921877928197
Energy: 0.7863210836060471
Energy: 0.5685173777690723
Energy: 0.5368721388887474
Energy: 0.8166424244001447
Energy: 0.5655339837267449
Energy: 0.6562900004633734
Energy: 0.5541209410036819
Energy: 0.6015228484390023
Energy: 0.6018258598860851
Energy: 0.6001565677732935
Energy: 0.6051254224401031
Energy: 0.5992049741348366
Energy: 0.5543486569173341
Energy: 0.5530983947561311
Energy: 0.548399009117097
Energy: 0.5489747608373137
Energy: 0.5523941197199105
Energy: 0.5499223314309479
Energy: 0.5477553546571532
Energy: 0.5504321388523502
Energy: 0.5480685975796653
Energy: 0.5555886677248961
Energy: 0.5491769326672044
Energy: 0.5509688210643235
Energy: 0.626744790840414
Energy: 0.5475562699752624
Energy: 0.5507398443737687
Energy: 0.65559393277051
Energy: 0.5488212241457321
Energy: 0.6013444635188283

minimum gb energy = 0.5331783031858753 eV
minimum distance =  2.36164989448048 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.277962560955667
Energy: 0.6240115100679355
Energy: 0.6040760303306717
Energy: 1.0723691245279827
Energy: 0.6239095133260779
Energy: 1.07216086820883
Energy: 0.5982029412172533
Energy: 0.5974823412659364
Energy: 0.597346257968473
Energy: 0.5981090786175871
Energy: 0.5969577580820563
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Energy: 0.5991813076997259
Energy: 0.5964884561663886
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Energy: 0.6013159614243205
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Energy: 0.6066069572953523
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Energy: 0.7176934461889668
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Energy: 0.5992866432209586
Energy: 0.5992097100496493
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Energy: 0.6695724318728266
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Energy: 0.598707454633324
Energy: 0.5995811163157189
Energy: 0.5963724858724104
Energy: 0.5945569641075388
Energy: 0.6185842743481811
Energy: 0.596332594119812
Energy: 0.5955545918631724
Energy: 0.5803917350373766
Energy: 0.5956983936399184
Energy: 0.6043114761977043
Energy: 0.6684137462650557
Energy: 0.5994094270892719
Energy: 0.5975771575200535
Energy: 0.687505118990541
Energy: 0.5987637698783405
Energy: 0.5974590173981023
Energy: 0.9067811873346214
Energy: 0.5966886004957794
Energy: 0.5960932222827068
Energy: 0.8205907801059027
Energy: 0.6013767110619005
Energy: 0.6016638293774057
Energy: 0.6700570174741911
Energy: 0.6027093695906711
Energy: 0.6033977083863138
Energy: 0.601916436790419
Energy: 0.6023985192211031
Energy: 0.6028754087575859
Energy: 0.6663849421378985
Energy: 0.5780062880044881
Energy: 0.5770037982928459
Energy: 0.5991450285121774
Energy: 0.5787226444567348
Energy: 0.5985768599310154
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Energy: 0.6265454575310079
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Energy: 1.0603315016165866
Energy: 0.5922084943621436
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Energy: 0.5995640590802375
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Energy: 0.5981563479878474
Energy: 0.5778828301547907
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Energy: 0.5974863616353693
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Energy: 0.5947209761277452
Energy: 0.5987940927859047
Energy: 0.598834026902634
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Energy: 0.5966249845059941
Energy: 0.5977840778855806
Energy: 0.5968717431790018
Energy: 0.5984585142459657
Energy: 0.5980134923685448
Energy: 0.5970843558149
Energy: 0.5963778930942675
Energy: 0.5975060763726537
Energy: 0.597037233637578
Energy: 0.6666256374633751
Energy: 0.6000273370588641
Energy: 0.5996232608661377
Energy: 0.6159773316272726
Energy: 0.8227242445237676
Energy: 0.8220448371114757
Energy: 0.6693786609224223
Energy: 0.5977736628963728
Energy: 0.5970616675689288
Energy: 0.5998612968476351
Energy: 0.5978610684446647
Energy: 0.5983426422066485
Energy: 0.6185925886994178
Energy: 0.6226893525596661
Energy: 0.6238821524194633
Energy: 0.5797733105266762
Energy: 0.6224959754594268
Energy: 0.5778455587201263
Energy: 0.6701251050718834
Energy: 0.5980950932693596
Energy: 0.5984907909665416
Energy: 0.5993795808524598
Energy: 0.5982799168816513
Energy: 0.5981729935289167
Energy: 0.6699342543417642
Energy: 0.6027680310622127
Energy: 0.6028249880680365
Energy: 0.601134024569518
Energy: 0.602630361122888
Energy: 0.6057899901021384
Energy: 0.9065698885832438
Energy: 0.5982969161993443
Energy: 0.5965838307529735
Energy: 0.6014735250314239
Energy: 0.5962839034295057
Energy: 0.5976670734402076
Energy: 0.6663445348249646
Energy: 0.5793623435900944
Energy: 0.6029990397193086
Energy: 0.6928957622660378
Energy: 0.5814690184955996
Energy: 0.6050929639277295
Energy: 0.6086179604516527
Energy: 0.5787265943207974
Energy: 0.5777927605342893
Energy: 0.6000240402430741
Energy: 0.5791725047695203
Energy: 0.6075681614984612
Energy: 0.7138357500694577
Energy: 0.6039335508894007
Energy: 0.6052283907924249
Energy: 0.5963429094727634
Energy: 0.6915351418862894
Energy: 0.6031785371054936
Energy: 0.6108610657956314
Energy: 0.5968882839430655
Energy: 0.5940069988524375
Energy: 0.6103615291500731
Energy: 0.5961434163654242
Energy: 0.595993519649889
Energy: 0.6003110111226372
Energy: 0.5992296131268707
Energy: 0.5952201446585275
Energy: 0.5993587636843266
Energy: 0.5993283389129864
Energy: 0.5968965379823452
Energy: 0.7177996464087619
Energy: 0.6036152654174958
Energy: 0.5834820897701664
Energy: 0.594453903067767
Energy: 0.5988578003269309
Energy: 0.5804666401543681

minimum gb energy = 0.5770037982928459 eV
minimum distance =  2.37816889146741 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.8488689609809759
Energy: 0.716668230669365
Energy: 0.6680157338890096
Energy: 0.7174703966929119
Energy: 0.6855084369077331
Energy: 0.7143677386093982
Energy: 0.7527226062911868
Energy: 0.6584269032991138
Energy: 0.6636619133239955
Energy: 0.6725827889817763
Energy: 0.6613471107847106
Energy: 0.6588900067654362
Energy: 0.7638615133127236
Energy: 0.73735550467028
Energy: 0.6597142912927424
Energy: 0.7643628584433269
Energy: 0.6609148201994521
Energy: 0.7359036242856701
Energy: 0.7580963204502864
Energy: 0.6598465540612279
Energy: 0.7361670500563986
Energy: 0.7582578360783786
Energy: 0.6584746333160787
Energy: 0.6578013122571942
Energy: 0.8275642206598862
Energy: 0.7146032476859929
Energy: 0.7321098575982429
Energy: 0.6517628707472808
Energy: 0.7244500312356392
Energy: 0.6921271677357623
Energy: 0.8266760948401342
Energy: 0.7080556209570216
Energy: 0.7132532481213678
Energy: 0.759948488074338
Energy: 1.0469358162164881
Energy: 0.7061447169298318
Energy: 0.7944632247601364
Energy: 0.7016054763670329
Energy: 0.7002925697005983
Energy: 0.6681818996959591
Energy: 0.7071418486787231
Energy: 0.7578577846955538
Energy: 0.7532005739051547
Energy: 0.7091531728580458
Energy: 0.7242891252572297
Energy: 0.6901313648705467
Energy: 0.7274993105776626
Energy: 0.717680317979682
Energy: 0.7969334052959068
Energy: 0.7329138486883788
Energy: 0.7343362177059648
Energy: 0.7275499023577302
Energy: 0.736908709541491
Energy: 0.749979686083378
Energy: 0.8642711270169741
Energy: 0.7567110706109104
Energy: 0.759252282402895
Energy: 0.7486652429839807
Energy: 0.7563278780125228
Energy: 0.7551580077793789
Energy: 0.794798056349376
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Energy: 0.7452464686511674
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Energy: 0.7526226757251351
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Energy: 0.8009165822572322
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Energy: 0.7210125530273481
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Energy: 0.6380339789896992
Energy: 0.817549288316707
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Energy: 0.636120988452226
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Energy: 0.7716681789227285
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Energy: 0.743722243184412
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Energy: 0.6887664000412611
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Energy: 0.7569122894327791
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Energy: 0.7670544142531533
Energy: 0.7500590960420301
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Energy: 0.7319147198203694
Energy: 0.7522792915499902
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Energy: 1.037224589939467
Energy: 1.0471868432194844
Energy: 0.776325067862016
Energy: 1.0350496870682522
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Energy: 0.7696624582279283
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Energy: 0.8428374402817804
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Energy: 0.7299113102637946
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Energy: 0.6994063633508747
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Energy: 0.690699510537199
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Energy: 0.7224908467668063
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Energy: 0.6366529223581119
Energy: 1.3216405027827858
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Energy: 0.7300189161028031
Energy: 0.7302508821029429
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Energy: 0.689183544647486
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Energy: 0.687811103684384
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Energy: 0.7272815480173664
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Energy: 0.6672578688441685
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Energy: 0.694859655639599
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Energy: 0.6948032110730723
Energy: 0.759496115150675
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Energy: 0.6647311267518877
Energy: 0.6671562779775636
Energy: 0.663693015251049
Energy: 0.7582951298686881
Energy: 0.9034976979744922
Energy: 0.6605867075506889
Energy: 0.6370477593943568
Energy: 0.6359982746966387
Energy: 0.6642278674806514
Energy: 0.7075784258661352

minimum gb energy = 0.635944134370823 eV
minimum distance =  2.29373538949647 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.9306944354525568
Energy: 0.7294634202968876
Energy: 0.740766688847217
Energy: 0.7515739959242969
Energy: 0.7300299818642795
Energy: 0.7519595000164845
Energy: 0.7461188525240517
Energy: 0.7193812666484014
Energy: 0.7191161040814844
Energy: 0.7200972847612883
Energy: 0.7207973682334791
Energy: 0.7189104056151364
Energy: 0.7356229673325493
Energy: 0.7040850540171296
Energy: 0.7109798105966242
Energy: 0.7143329055354541
Energy: 0.6940815385049873
Energy: 0.7106730633551974
Energy: 0.7364246639440913
Energy: 0.7148932480925433
Energy: 0.7139399488516952
Energy: 0.7119052253507535
Energy: 0.7159564269960164
Energy: 0.7140400361066865
Energy: 0.745407542644299
Energy: 0.720667985573456
Energy: 0.7206872286565561
Energy: 0.7258070864075722
Energy: 0.7203843086911206
Energy: 0.7208923859752312
Energy: 0.7470280841186021
Energy: 0.7260639931736468
Energy: 0.7236408500129411
Energy: 0.7273799137169096
Energy: 0.7221146236103058
Energy: 0.7240767497425441
Energy: 0.7781881001328474
Energy: 0.7196685539590869
Energy: 0.7192906136090257
Energy: 0.6912641047139805
Energy: 0.7205867494496977
Energy: 0.7189010038953613

minimum gb energy = 0.6912641047139805 eV
minimum distance =  2.41852072516758 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.083608902466776
Energy: 0.8096360164909742
Energy: 0.7887249174730796
Energy: 0.9618553447142034
Energy: 1.4066009463022489
Energy: 0.7947761873852284
Energy: 0.8322068739217939
Energy: 0.8269421441926318
Energy: 0.8045592397173121
Energy: 0.8268967171619522
Energy: 0.8278542990718506
Energy: 0.8238621971559363
Energy: 0.8437428720176104
Energy: 0.8258382403459541
Energy: 0.8247286546799971
Energy: 0.8446568681576636
Energy: 0.8215293885585896
Energy: 0.8404528894704646
Energy: 0.8415420512549953
Energy: 0.8165520383674126
Energy: 0.8440047268444049
Energy: 0.8409037392909863
Energy: 0.8268969787571713
Energy: 0.8297481318540944
Energy: 0.8170036333823649
Energy: 0.8008171775509622
Energy: 0.8008930852712606
Energy: 0.8154063011243614
Energy: 0.8043253412843299
Energy: 0.8010259353470139
Energy: 0.8011830178973525
Energy: 0.8071481053018292
Energy: 0.8011153266167891
Energy: 0.8024104133605743
Energy: 0.7972309485948142
Energy: 0.8020781403683822
Energy: 0.8042541342636345
Energy: 0.7950793482802979
Energy: 0.7939550558204276
Energy: 0.803603431812717
Energy: 0.7935281177971248
Energy: 0.8059161330424879
Energy: 1.018872144431184
Energy: 0.8688202875089325
Energy: 0.9144879850224868
Energy: 0.8725580848375626
Energy: 0.9130308224486178
Energy: 0.8365997507109999
Energy: 0.8076269127859029
Energy: 0.8129596090703429
Energy: 0.813423416159199
Energy: 0.8032908326871846
Energy: 0.8095686249417218
Energy: 0.8274410789120689
Energy: 0.8425110887677537
Energy: 0.8540234933948416
Energy: 0.8537463196728952
Energy: 0.8676978248210396
Energy: 0.8527144929369076
Energy: 0.8395389020556404
Energy: 0.8685510507519069
Energy: 0.8154725687359329
Energy: 0.817568056859431
Energy: 0.8681853892658263
Energy: 0.796241535547654
Energy: 0.8284274664398916
Energy: 0.8403921245083954
Energy: 0.8017093387529239
Energy: 0.8017179396968619
Energy: 0.7952498146734873
Energy: 0.8034790637722985
Energy: 0.8009773751630224
Energy: 0.8265589084344784
Energy: 0.8031877987749622
Energy: 0.8031418087588688
Energy: 0.7901595340284359
Energy: 0.8037344343080794
Energy: 0.802608949673395
Energy: 0.8583937863703469
Energy: 0.8235186658686311
Energy: 0.8179049392616011
Energy: 0.8090824577669601
Energy: 0.8207738776275741
Energy: 0.8044519324449597
Energy: 0.8445936890243817
Energy: 0.8748958197950054
Energy: 0.8589548463517915
Energy: 0.8031674669670286
Energy: 0.8505114041133675
Energy: 0.8452737312895608
Energy: 0.8622598286972323
Energy: 0.8178898499852838
Energy: 0.8160944660650906
Energy: 0.8314938142915684
Energy: 0.8258308990276151
Energy: 0.815338989033051
Energy: 0.9050820279135672
Energy: 0.8359000570072614
Energy: 0.8467604630219059
Energy: 0.8123642939667578
Energy: 0.8364197914956697
Energy: 0.8045003705038973
Energy: 0.8291716872227374
Energy: 0.8301757264061955
Energy: 0.8204822601442727
Energy: 0.8199531977028998
Energy: 0.8126418737206943
Energy: 0.8432736789468681
Energy: 0.914970306157184
Energy: 0.8571927246154631
Energy: 0.8340035707378742
Energy: 0.8345432013461951
Energy: 0.8304000388232985
Energy: 0.8401910493079923
Energy: 0.87516053817076
Energy: 0.849738132757368
Energy: 0.8522572726387094
Energy: 0.8393758367410247
Energy: 0.8507393020013139
Energy: 0.8429843998969553
Energy: 0.8265088482132656
Energy: 0.8123391547951928
Energy: 0.8183790661373257
Energy: 0.8007069202366129
Energy: 0.8187316582732266
Energy: 0.8198659950184362
Energy: 0.8085208007346427
Energy: 0.8036020875316633
Energy: 0.8046174339991972
Energy: 0.8064222263437076
Energy: 0.802449690511977
Energy: 0.8069926153674839
Energy: 0.8154952974959624
Energy: 0.8174723845395299
Energy: 0.8134463583387433
Energy: 0.816727050170563
Energy: 0.8114188684980197
Energy: 0.8106276370930904
Energy: 0.8199101769017618
Energy: 0.8566526605450411
Energy: 0.8573263137277377
Energy: 0.8200072446520597
Energy: 0.8572046512506576
Energy: 0.8076916605627795
Energy: 0.8229773675309457
Energy: 0.8021121101156787
Energy: 0.8042155123422098
Energy: 0.8002125420066362
Energy: 0.8131479848582294
Energy: 0.8048973123457254
Energy: 0.9259161658172663
Energy: 0.8844886196724834
Energy: 0.8954087114504032
Energy: 0.8064891697912769
Energy: 0.7941499455907014
Energy: 0.8160302147394636
Energy: 0.7927414195236033
Energy: 0.8353853063625436
Energy: 0.819341467984367
Energy: 0.8371460081041763
Energy: 0.8359216015386118
Energy: 0.8114951525825579
Energy: 0.8265965679922632
Energy: 0.8037314670283023
Energy: 0.8054379453758109
Energy: 0.8055248177458326
Energy: 0.7977707685554458
Energy: 0.8056880480460702
Energy: 0.8332122693765972
Energy: 0.8304873710276641
Energy: 0.8296677869931749
Energy: 0.83394687416182
Energy: 0.8328008697689497
Energy: 0.8159289041791798
Energy: 0.8129663711395255
Energy: 0.8172422538766874
Energy: 0.8163193873033022
Energy: 0.814966071690958
Energy: 0.8555191432473748
Energy: 0.8170910741771947
Energy: 0.8051049050795458
Energy: 0.8060444309811022
Energy: 0.8100150606783302
Energy: 0.8039195865974289
Energy: 0.8102810305206852
Energy: 0.8101399566228741
Energy: 0.822270606752191
Energy: 0.8021083380187634
Energy: 0.803577946265352
Energy: 0.8013886467866951
Energy: 0.8014422362179585
Energy: 0.8042311693258126
Energy: 0.9564199605086613
Energy: 0.8278137262865229
Energy: 0.8244788059254436
Energy: 0.849264039509657
Energy: 0.8222207939777572
Energy: 0.8427797567983166
Energy: 0.9081330979501843
Energy: 0.8028619441820537
Energy: 0.801862666264809
Energy: 0.8200306433098616
Energy: 0.7994937275759909
Energy: 0.8020134126407817
Energy: 0.8315424349961628
Energy: 0.8299613620815703
Energy: 0.8296638323831699
Energy: 0.8049103254383987
Energy: 0.8184126152206769
Energy: 0.8097260455924781
Energy: 0.839643648922978
Energy: 0.8538613271224323
Energy: 0.8535704355444054
Energy: 0.8156417552909255
Energy: 0.8524685714088759
Energy: 0.8214454117410708
Energy: 0.8407188820987515
Energy: 0.8135413686882816
Energy: 0.8163413459622102
Energy: 0.8267686443078036
Energy: 0.7924788691017809
Energy: 0.7962167113730472
Energy: 0.8275296631420106
Energy: 0.8028285584253169
Energy: 0.805991603824929
Energy: 0.7959801969574295
Energy: 0.8021896042528277
Energy: 0.8440211347645413
Energy: 0.8618765369002023
Energy: 0.8121957898871414
Energy: 0.8100016954279466
Energy: 0.8244863825799181
Energy: 0.8095491516760837
Energy: 0.8103358955222125
Energy: 0.851093081589289
Energy: 0.8417816564524526
Energy: 0.8418318166702896
Energy: 0.8044493729611545
Energy: 0.8417000197552323
Energy: 0.8414137136462216
Energy: 0.8931422719380884
Energy: 0.8276644807735549
Energy: 0.828060313142058
Energy: 0.8181650644659465
Energy: 0.8222206397195699
Energy: 0.8275503292821901
Energy: 0.9954405983237851
Energy: 0.8076785076638118
Energy: 0.8073571913966616
Energy: 0.8516706174632416
Energy: 0.8284218884867248
Energy: 0.8353169005800573
Energy: 0.929005553708727
Energy: 0.8308743063379836
Energy: 0.8258605960878468
Energy: 0.8641336244004706
Energy: 0.826983664354293
Energy: 0.8312671247155649
Energy: 0.808466933343163
Energy: 0.8219273690614772
Energy: 0.8211033496921405
Energy: 0.802477132402881
Energy: 0.8336141272964691
Energy: 0.8204231504291422
Energy: 0.9414545791051477
Energy: 0.8358307386028394
Energy: 0.8727625936579065
Energy: 0.8751764300363114
Energy: 0.8378602839896272
Energy: 0.8680806847823613
Energy: 0.8077850425254157
Energy: 0.8159396236467356
Energy: 0.8015238286496381
Energy: 0.8032838685085831
Energy: 0.8201126001500264
Energy: 0.8030949445944252
Energy: 0.8041584905179
Energy: 0.7983928782603253
Energy: 0.8133629019819518
Energy: 0.7993836035204492
Energy: 0.8007988506413087
Energy: 0.8124996283265722
Energy: 0.8161214021808572
Energy: 0.8093374302149643
Energy: 0.811252030206327
Energy: 0.8163697546891171
Energy: 0.7962434126862935
Energy: 0.8153357613669674
Energy: 0.8380826020262454
Energy: 0.8407942973803958
Energy: 0.8319356251838358
Energy: 0.8389609554696793
Energy: 0.83907809987818
Energy: 0.8325001859595873
Energy: 0.8417721755925149
Energy: 0.8451041218338521
Energy: 0.8454775729905792
Energy: 0.8434733030513305
Energy: 0.8422731589344683
Energy: 0.8384704798149322
Energy: 0.8202592776574609
Energy: 0.80504062003699
Energy: 0.8326721227758823
Energy: 0.8175715847377988
Energy: 0.8388469728126525
Energy: 0.8418069257361922

minimum gb energy = 0.7887249174730796 eV
minimum distance =  2.3818912243007 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.4476084052488125
Energy: 0.8685475878418565
Energy: 0.8336306162749585
Energy: 0.8284354321525577
Energy: 0.921905723978488
Energy: 0.8951499230268785
Energy: 0.9007008638661254
Energy: 0.8076160071068076
Energy: 0.8128355928888222
Energy: 0.8007684568844979
Energy: 0.7761694761499577
Energy: 0.8137284656854834
Energy: 0.89849665316372
Energy: 0.8226875220712488
Energy: 0.8116615998896642
Energy: 0.8042228674030962
Energy: 0.8243157354622087
Energy: 0.7975563002045764
Energy: 0.8707431766690908
Energy: 0.8257514406301747
Energy: 0.7957491935696224
Energy: 0.7989666033114893
Energy: 0.8312908637581402
Energy: 0.8010402414180974
Energy: 0.8970046899118738
Energy: 0.8160118602234939
Energy: 0.9078027553833938
Energy: 0.9033698307323167
Energy: 0.9010591943955439
Energy: 0.8355146810076903
Energy: 0.9238558324232929
Energy: 0.8995982355240923
Energy: 0.8957062859637305
Energy: 0.8208803425941312
Energy: 0.8967449253941884
Energy: 0.899675089339723
Energy: 0.9584939381705703
Energy: 0.7905814983031478
Energy: 0.7984181067380487
Energy: 0.8106286919281888
Energy: 0.8037334549549975
Energy: 0.8732996996342308
Energy: 1.0029311394541598
Energy: 0.9280881861198148
Energy: 0.924902932393258
Energy: 0.8663448842838467
Energy: 0.9130529938135374
Energy: 0.9015039355990946
Energy: 0.9611955764878979
Energy: 0.8730934802477622
Energy: 0.881383582657727
Energy: 0.8978193853231891
Energy: 0.859432524098058
Energy: 0.9140823454982391
Energy: 0.8432246759622682
Energy: 0.8504168793916773
Energy: 0.8543513715078619
Energy: 0.8526577943245084
Energy: 0.8490477774036721
Energy: 0.8540047625930285
Energy: 0.9250844428086932
Energy: 0.7904769060168395
Energy: 0.8055356090643103
Energy: 0.9067422105489148
Energy: 0.7984987039743613
Energy: 0.8807505860541885
Energy: 0.8440964029635649
Energy: 0.8644789446817394
Energy: 0.8631706160821989
Energy: 0.8290822402301318
Energy: 0.8549927424555642
Energy: 0.8648387680709844
Energy: 0.8442790126355159
Energy: 0.8682898076874216
Energy: 0.8628693101615735
Energy: 0.8277430598652047
Energy: 0.8674030418077006
Energy: 0.822629369393497
Energy: 0.8949184392297522
Energy: 0.8786459711628098
Energy: 0.8786205675765739
Energy: 0.8544194302664071
Energy: 0.8677885269340893
Energy: 0.8780438274947566
Energy: 0.9769448947815494
Energy: 0.9453358611408625
Energy: 0.9038378067014605
Energy: 0.9085521819716309
Energy: 0.9289035046637452
Energy: 0.9080336925341431
Energy: 0.8957588414193595
Energy: 0.9058629318492599
Energy: 0.9064114814220405
Energy: 0.8672649202243572
Energy: 0.9042010078594236
Energy: 0.914169846308426
Energy: 0.9924022054741503
Energy: 0.8606991888756677
Energy: 0.8624042577117328
Energy: 0.9671261939776219
Energy: 0.8647808965245586
Energy: 0.8742590293213712
Energy: 0.8575044035520791
Energy: 0.8933126054747029
Energy: 0.8566446295379629
Energy: 0.8612117633576147
Energy: 0.8935935969140031
Energy: 0.869892238383732
Energy: 0.9051422671812984
Energy: 0.9051648456872906
Energy: 0.7960835570059664
Energy: 0.8002374906267743
Energy: 0.9119729426400892
Energy: 0.7961388159842852
Energy: 0.9007741379331475
Energy: 0.8916856376214854
Energy: 0.7956426222450558
Energy: 0.8008061395102682
Energy: 0.9141365881887751
Energy: 0.796171437422366
Energy: 0.8571222866161882
Energy: 0.8535992320200216
Energy: 0.8573743803802757
Energy: 0.860845026002368
Energy: 0.8537731365832338
Energy: 0.8657103280461587
Energy: 0.8835298114363166
Energy: 0.8237953281918516
Energy: 0.8439960865151898
Energy: 0.8720491918464457
Energy: 0.8234739073773423
Energy: 0.8426356559021232
Energy: 0.8929217938158608
Energy: 0.8810723249004379
Energy: 0.874018553846429
Energy: 0.8639145184200435
Energy: 0.8665426287040774
Energy: 0.8754218014005057
Energy: 0.9221768393118344
Energy: 0.9344031775782705
Energy: 0.8973510266506607
Energy: 0.9002991479287874
Energy: 0.8993941894606706
Energy: 0.9297840172736868
Energy: 0.9362835299850489
Energy: 0.877703514611544
Energy: 0.8975917484795335
Energy: 0.899217026982612
Energy: 0.876506883900031
Energy: 0.8988987317791192
Energy: 0.9344358328344867
Energy: 0.9213590759752353
Energy: 0.9063143504388348
Energy: 0.8554397056459384
Energy: 0.9182608604310288
Energy: 0.9168459838897832
Energy: 0.9316959986964035
Energy: 0.9182768258694287
Energy: 0.9148983924533384
Energy: 0.863182241545244
Energy: 0.9135979204999766
Energy: 0.8719956405817335
Energy: 0.9390462482663489
Energy: 0.8345698791609203
Energy: 0.8824662842235967
Energy: 0.9065419013859799
Energy: 0.8065665867931251
Energy: 0.8801438849742651
Energy: 0.820542945140974
Energy: 0.8560196900661596
Energy: 0.8559746598379617
Energy: 0.8207867360679942
Energy: 0.8652646377463145
Energy: 0.8563049374118941
Energy: 0.915153878645754
Energy: 0.8723304256766856
Energy: 0.8822083213518329
Energy: 0.8631295334169086
Energy: 0.8598290986979493
Energy: 0.8796929161312328
Energy: 0.8436434361522881
Energy: 0.8664516364431346
Energy: 0.8640405618334704
Energy: 0.8245342954129005
Energy: 0.8950878597252269
Energy: 0.8237286809943397
Energy: 0.9151014767249488
Energy: 0.8637612477794697
Energy: 0.7916551657490858
Energy: 0.7737005002581624
Energy: 0.799989557037725
Energy: 0.8702989849898256
Energy: 0.9579819038444204
Energy: 0.8132149378403138
Energy: 0.8319899464708068
Energy: 0.8244780435411491
Energy: 0.8893057471340254
Energy: 0.8980429693137244
Energy: 0.9573332226730158
Energy: 0.8827762469826497
Energy: 0.8240684959926479
Energy: 0.836801568159262
Energy: 0.8929428093532695
Energy: 0.8839832094795287
Energy: 0.8773992403813454
Energy: 0.8411646363495454
Energy: 0.7951112202103146
Energy: 0.8037250267167402
Energy: 0.8608389624303822
Energy: 0.8128017468094596
Energy: 0.9972581145497973
Energy: 0.8607330164899942
Energy: 0.8591729282464797
Energy: 0.865317878713918
Energy: 0.8604097524434797
Energy: 0.949447000006489
Energy: 0.9012879415458025
Energy: 0.8079390628091845
Energy: 0.8344043912461669
Energy: 0.7998877997098198
Energy: 0.8070104289901993
Energy: 0.8343194685612667
Energy: 1.0342339471556046
Energy: 0.8373422445838565
Energy: 0.8312564279621102
Energy: 0.8552032742710372
Energy: 0.8417588239545484
Energy: 0.8800727480134082

minimum gb energy = 0.7737005002581624 eV
minimum distance =  2.33560447798399 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.0976423406772726
Energy: 0.8080742369524734
Energy: 0.7777046490955366
Energy: 0.9074152067212761
Energy: 0.8096366822631577
Energy: 0.7969686160649169
Energy: 0.8059286313770534
Energy: 0.7785092461329878
Energy: 0.7783582613133742
Energy: 0.8100341622123616
Energy: 0.7654535881673479
Energy: 0.7692757084199947
Energy: 0.8265199816534041
Energy: 0.7940743647606908
Energy: 0.7937557014029555
Energy: 0.8306013856258019
Energy: 0.797023203321856
Energy: 0.80646631965607
Energy: 0.8120692098466792
Energy: 0.8043649654945451
Energy: 0.8125561004470759
Energy: 0.8121380533722302
Energy: 0.7937512358232873
Energy: 0.8143920036096995
Energy: 0.7731051572832006
Energy: 0.7674840878967639
Energy: 0.7657042723066478
Energy: 0.7736395747778417
Energy: 0.7663806037597669
Energy: 0.7595510046673096
Energy: 0.7728671915366532
Energy: 0.7669221534710223
Energy: 0.7681136787366667
Energy: 0.7660560436597508
Energy: 0.7722277847588725
Energy: 0.7648116940283805
Energy: 0.7743741638944359
Energy: 0.8007548145524876
Energy: 0.8004029922579098
Energy: 0.7725820827615161
Energy: 0.7965232316721311
Energy: 0.7700682220919611
Energy: 0.8463050058370801
Energy: 0.826154215504213
Energy: 0.8250690947332555
Energy: 0.7828487185381648
Energy: 0.8265326820710998
Energy: 0.8348259268865393
Energy: 0.7719160707129978
Energy: 0.810759822514235
Energy: 0.8102491117277402
Energy: 0.78162278137607
Energy: 0.8094297955566162
Energy: 0.8001946547770753
Energy: 0.7672543425767191
Energy: 0.8174926030662513
Energy: 0.81784024311031
Energy: 0.767652004610078
Energy: 0.8182747045758766
Energy: 0.8177761640355053
Energy: 0.7692952019857624
Energy: 0.8345224175050167
Energy: 0.8048302663568584
Energy: 0.7676301222955955
Energy: 0.7719754285534951
Energy: 0.7692384615437639
Energy: 0.8750548066881472
Energy: 0.8069622287998396
Energy: 0.807441572196844
Energy: 0.7593112819106491
Energy: 0.8078320498331539
Energy: 0.8083989539529636
Energy: 0.8771438616246446
Energy: 0.8118852322623817
Energy: 0.7863128664578846
Energy: 0.8385149272225517
Energy: 0.8119138397336652
Energy: 0.838825906956575
Energy: 0.7689078086143745
Energy: 0.7686131919332135
Energy: 0.7772298862542976
Energy: 0.7679375853629942
Energy: 0.7966017892595355
Energy: 0.7683588466507255
Energy: 0.76953001182065
Energy: 0.8033125258920754
Energy: 0.77187527706862
Energy: 0.7697213789757528
Energy: 0.758773806250228
Energy: 0.7720802740791171
Energy: 0.779124140543829
Energy: 0.7635550448781442
Energy: 0.783034062756306
Energy: 0.7778205125551396
Energy: 0.819062628726357
Energy: 0.7777394670008405
Energy: 0.78151208664215
Energy: 0.7827524459294344
Energy: 0.7831527887250834
Energy: 0.7820916929864045
Energy: 0.7776728966684627
Energy: 0.7830493158525433
Energy: 0.7813997058171066
Energy: 0.7957911513369043
Energy: 0.7820524769639827
Energy: 0.7846961325631474
Energy: 0.799586834678712
Energy: 0.7819102508590026
Energy: 0.7814122706622592
Energy: 0.7820708781460497
Energy: 0.7822887910247798
Energy: 0.8212603077863089
Energy: 0.7828846787729035
Energy: 0.8126653611874347
Energy: 0.9130336071948802
Energy: 0.7820886511342833
Energy: 0.7819912403866299
Energy: 0.8196019881507899
Energy: 0.7819934546465801
Energy: 0.8125437274435209
Energy: 0.7809992479711692
Energy: 0.7876507159163132
Energy: 0.7942489439440652
Energy: 0.7840991318392411
Energy: 0.7734681299796382
Energy: 0.7818838561184775
Energy: 0.8436131593964525
Energy: 0.789777176268518
Energy: 0.8604770782329074
Energy: 0.7798256670707241
Energy: 0.8049422013952521
Energy: 0.8597035808114196
Energy: 0.8350992028853381
Energy: 0.7895363065499257
Energy: 0.789272124455896
Energy: 0.8091539088188388
Energy: 0.7863147898326771
Energy: 0.7901409147277533
Energy: 0.8199899945544987
Energy: 0.782448993255136
Energy: 0.7824913024423712
Energy: 0.7829152181325753
Energy: 0.7816108730147946
Energy: 0.7824218933255798
Energy: 0.8537926706695157
Energy: 0.7816966072268855
Energy: 0.7823384721083178
Energy: 0.7801727528301677
Energy: 0.7812468263449298
Energy: 0.7766137344961118
Energy: 0.7994522167063504
Energy: 0.770523418599437
Energy: 0.7699682552631346
Energy: 0.7689376578514564
Energy: 0.7694059018595233
Energy: 0.7725098885692838
Energy: 0.7987483015186515
Energy: 0.772109976813187
Energy: 0.7720250324111344
Energy: 0.7647715523438079
Energy: 0.7705238277309341
Energy: 0.7714079360853846
Energy: 0.7984849441285085
Energy: 0.7694360929982653
Energy: 0.7902516997920088
Energy: 0.7642211549949175
Energy: 0.771757279410043
Energy: 0.7691120491335228
Energy: 0.8605594203337653
Energy: 0.815314504964597
Energy: 0.8154683619138647
Energy: 0.8603579761920839
Energy: 0.7921529100494453
Energy: 0.8151589301036882
Energy: 0.8059593429645514
Energy: 0.7679882897189331
Energy: 0.7681114641261698
Energy: 0.8110278176741624
Energy: 0.7701282248948458
Energy: 0.8011203447446712
Energy: 0.9482082456341573
Energy: 0.8119043728250595
Energy: 0.842091307526733
Energy: 0.7911786146817956
Energy: 0.7683608602969241
Energy: 0.8426570301846633

minimum gb energy = 0.758773806250228 eV
minimum distance =  2.39172407256586 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.9100660036500805
Energy: 0.7768709250616314
Energy: 0.7946049336312624
Energy: 0.7520431354070001
Energy: 0.7554210441697967
Energy: 0.8985804927020264
Energy: 0.8309431463389662
Energy: 0.7561164547050141
Energy: 0.7606608317029214
Energy: 0.7869855004272543
Energy: 0.786559976938209
Energy: 0.7593452529531143
Energy: 0.7803923715864338
Energy: 0.7408641854682936
Energy: 0.7366549094395075
Energy: 0.7777995718160482
Energy: 0.7395285770229398
Energy: 0.7395518712457699
Energy: 0.7757859670384996
Energy: 0.7348153586087431
Energy: 0.7360607120635123
Energy: 0.7754537213406292
Energy: 0.7342486734771214
Energy: 0.7609975107315314
Energy: 0.7632084169182296
Energy: 0.758832843401548
Energy: 0.7569901958600778
Energy: 0.764090961850986
Energy: 0.7393144317809797
Energy: 0.7569597047905313
Energy: 0.7330075082393667
Energy: 0.744085492085584
Energy: 0.7418535003463719
Energy: 0.7432275699142532
Energy: 0.7423817895540401
Energy: 0.7403849792514812
Energy: 0.76296251132065
Energy: 0.7584964080000232
Energy: 0.759812070713171
Energy: 0.7506833885367387
Energy: 0.7755630040345661
Energy: 0.7598158967902391
Energy: 0.767459661699717
Energy: 0.78525623459659
Energy: 0.7759449652774844
Energy: 0.7590057810953722
Energy: 0.7680192344565933
Energy: 0.8294122477256609
Energy: 0.7860820494025418
Energy: 0.7796294673648584
Energy: 0.7615180727245754
Energy: 0.7862310996549674
Energy: 0.7791802014789705
Energy: 0.7537409086624586
Energy: 0.8393593940958587
Energy: 0.7548056006143199
Energy: 0.7715777741417632
Energy: 0.8388094707751766
Energy: 0.7622640113847947
Energy: 0.779297428981435
Energy: 0.7773884692683471
Energy: 0.7630151687122966
Energy: 0.7618557520182978
Energy: 0.7803904418501869
Energy: 0.7599930437307575
Energy: 0.7581002225536333
Energy: 0.7430836695509405
Energy: 0.7888473996877052
Energy: 0.7854651433334513
Energy: 0.7390616338748205
Energy: 0.7895325614697764
Energy: 0.7849881366136813
Energy: 0.7380741899663247
Energy: 0.7948424215094635
Energy: 0.7992860775479612
Energy: 0.7386886293000535
Energy: 0.7946420802098966
Energy: 0.7993952192737248
Energy: 0.7762751815520544
Energy: 0.7628116974490499
Energy: 0.7603753443595339
Energy: 0.776789628577805
Energy: 0.7873944920087397
Energy: 0.7603452372989613
Energy: 0.7792660074932309
Energy: 0.750970531483667
Energy: 0.7492015757094196
Energy: 0.7810257516533966
Energy: 0.7618803116658491
Energy: 0.7495259529208775
Energy: 0.7759664116045412
Energy: 0.7637735795539639
Energy: 0.7595821636506315
Energy: 0.7753335324514359
Energy: 0.7554860174575506
Energy: 0.7603496147833618
Energy: 0.7639512912999796
Energy: 0.7377078026628129
Energy: 0.7400515810825519
Energy: 0.7438169909898594
Energy: 0.7384340917989284
Energy: 0.7553253093593729
Energy: 0.7641007521463324
Energy: 0.7453716693524067
Energy: 0.7385825797657273
Energy: 0.7427770987475887
Energy: 0.748637305215632
Energy: 0.7384608527514053
Energy: 0.7921698476172144
Energy: 0.7775563509208482
Energy: 0.7791227769014684
Energy: 0.7658349833877707
Energy: 0.7764270821172647
Energy: 0.7549671930501269
Energy: 0.7930320867456337
Energy: 0.7773818482791729
Energy: 0.778127640330068
Energy: 0.7667476054374017
Energy: 0.7775471617383252
Energy: 0.7744383296600319
Energy: 0.7861889895430445
Energy: 0.7647965351268711
Energy: 0.7601186981763586
Energy: 0.7866817220260521
Energy: 0.7789248483726723
Energy: 0.7618641275140074
Energy: 0.8880531155066588
Energy: 0.7672739122526553
Energy: 0.7603788841306458
Energy: 0.7568023866300317
Energy: 0.7814805420394908
Energy: 0.7743607637623843
Energy: 0.7765633589982937
Energy: 0.7565586162992866
Energy: 0.7608687471310117
Energy: 0.7814856256882043
Energy: 0.7871522044248105
Energy: 0.7607268501308497
Energy: 0.7381246850154869
Energy: 0.7911810132402548
Energy: 0.7992108532882001
Energy: 0.7386610380902926
Energy: 0.7916931660697797
Energy: 0.7991605925652181

minimum gb energy = 0.7330075082393667 eV
minimum distance =  2.35488477388086 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.718930507611715
Energy: 0.8260606293693571
Energy: 0.8825208291120106
Energy: 0.7515567568712067
Energy: 0.7887076904174264
Energy: 0.7506718243781945
Energy: 0.7766250798118252
Energy: 0.7811440786200929
Energy: 0.722192126096111
Energy: 0.8144029714980099
Energy: 0.8101199172422494
Energy: 0.7298264980445118
Energy: 0.7987031274766788
Energy: 0.7027864710922739
Energy: 0.7265842786424225
Energy: 0.7975522152558516
Energy: 0.7271639064495052
Energy: 0.7241496364183282
Energy: 0.7968071268940685
Energy: 0.7146312664705687
Energy: 0.7150870409308295
Energy: 0.7970849431579499
Energy: 0.6980977815507752
Energy: 0.7350736102292214
Energy: 0.7441099060066719
Energy: 0.6812144660446537
Energy: 0.6846007207332087
Energy: 0.7447950777597357
Energy: 0.6987318408148352
Energy: 0.6828103723484602
Energy: 0.732059542167211
Energy: 0.7112912489501626
Energy: 0.6984362593929945
Energy: 0.6755883826839034
Energy: 0.7132219424141221
Energy: 0.6654572864198569
Energy: 0.7227501710529387
Energy: 0.7264100664947089
Energy: 0.6638811684486104
Energy: 0.7007772063104797
Energy: 0.7272053846973038
Energy: 0.6635939432641629
Energy: 0.7356680080142691
Energy: 0.6634713297668513
Energy: 0.6617006193657613
Energy: 0.6646084495202902
Energy: 0.6643515581031776
Energy: 0.6728355364250869
Energy: 0.7369648653259347
Energy: 0.6642906262860644
Energy: 0.6638277820726763
Energy: 0.7245176155347273
Energy: 0.6638620637063204
Energy: 0.6635979700028429
Energy: 0.7293469019064184
Energy: 0.6873812695667461
Energy: 0.68622441998486
Energy: 0.7296224481679721
Energy: 0.6862417694071455
Energy: 0.6990758398713909
Energy: 0.728488147061434
Energy: 0.6837026310429029
Energy: 0.6836798185649496
Energy: 0.7126584519388881
Energy: 0.782666139755752
Energy: 0.6831121551055881
Energy: 0.8172300383177861
Energy: 0.7981053211151611
Energy: 0.7356208879190947
Energy: 0.7656691939153966
Energy: 0.7975702758963423
Energy: 0.7347658663948342
Energy: 0.7969449477047963
Energy: 0.7974580891365475
Energy: 0.7887693790710751
Energy: 0.7000455185867996
Energy: 0.7976167835000336
Energy: 0.7801805467864601
Energy: 0.8170901960220166
Energy: 0.8097992041577551
Energy: 0.7216665687933284
Energy: 0.8184228751619221
Energy: 0.8087318094431595
Energy: 0.7214921482288914
Energy: 0.7684136104288277
Energy: 0.8034735462836782
Energy: 0.7997000296265929
Energy: 0.7917202237202553
Energy: 0.8195087221826164
Energy: 0.7803168810929115
Energy: 0.8511841255480005
Energy: 0.806877260264085
Energy: 0.7255560258377719
Energy: 0.8110005579595837
Energy: 0.81518939474262
Energy: 0.7257451251877278
Energy: 0.8350111058680035
Energy: 0.7980360714781903
Energy: 0.7803653835039549
Energy: 0.7294590484925085
Energy: 0.797772552401064
Energy: 0.786421484854319

minimum gb energy = 0.6617006193657613 eV
minimum distance =  2.34410118106296 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.6693257592427528
Energy: 0.8100104534883709
Energy: 0.7324367660138923
Energy: 0.7362553272867493
Energy: 0.8165163622611412
Energy: 0.6772769305806488
Energy: 0.864615720698913
Energy: 0.737446752476643
Energy: 0.640208409766516
Energy: 0.8082299208117933
Energy: 0.7672244863453296
Energy: 0.6798458317040814
Energy: 0.7367023396227582
Energy: 0.6174311928860606
Energy: 0.6601338466522918
Energy: 0.7698600246200709
Energy: 0.6171069249368328
Energy: 0.6759762525547864
Energy: 0.8008218911167218
Energy: 0.6569021907413467
Energy: 0.66038588104822
Energy: 0.7999305078565979
Energy: 0.630951654419531
Energy: 0.6820405880573746
Energy: 0.7093643047083601
Energy: 0.6539868292722074
Energy: 0.6391107080670028
Energy: 0.7101916248728196
Energy: 0.6541704411732226
Energy: 0.6410349731684115
Energy: 0.6444474702720215
Energy: 0.6458404541564308
Energy: 0.6155264159380965
Energy: 0.6155540695097294
Energy: 0.6451857659460101
Energy: 0.6149711277845002
Energy: 0.6553608962436234
Energy: 0.7013669006921764
Energy: 0.6538951335072067
Energy: 0.6157530450194765
Energy: 0.7029704488442095
Energy: 0.6089365589658381
Energy: 0.675189060939917
Energy: 0.606301961800748
Energy: 0.6148315391345369
Energy: 0.6174060284599103
Energy: 0.6063100526008757
Energy: 0.6141011892537467
Energy: 0.6565982967400786
Energy: 0.6088507120659737
Energy: 0.6111361271492057
Energy: 0.6577918383901692
Energy: 0.6370907929389495
Energy: 0.6122385601735185
Energy: 0.6552599904473166
Energy: 0.6052734200952945
Energy: 0.6054284234311382
Energy: 0.6551827177427436
Energy: 0.6051989137624451
Energy: 0.6057711249439863
Energy: 0.6746973445966968
Energy: 0.606136642521154
Energy: 0.6056515809583333
Energy: 0.6046904526097833
Energy: 0.6555859236876067
Energy: 0.6054576748975584
Energy: 0.6581134944268463
Energy: 0.6570529729900251
Energy: 0.6118672751405432
Energy: 0.6595044484730542
Energy: 0.6604327319110423
Energy: 0.6129714830493478
Energy: 0.7045048231993056
Energy: 0.6153735314111709
Energy: 0.6149536508972403
Energy: 0.6156261937464477
Energy: 0.6159124407827596
Energy: 0.6145853614427206
Energy: 0.6997159708224066
Energy: 0.618023361528502
Energy: 0.6125839977564369
Energy: 0.701007630078017
Energy: 0.6240168546467804
Energy: 0.6067289947102573
Energy: 0.7005751038795277
Energy: 0.6219041412546742
Energy: 0.623356199372283
Energy: 0.6838603483896077
Energy: 0.6138152433539409
Energy: 0.6357930999663873
Energy: 0.7155918104134543
Energy: 0.6779422191148082
Energy: 0.6389529564230284
Energy: 0.6529689383463492
Energy: 0.713697429604664
Energy: 0.6376105527178082
Energy: 0.6564209389942914
Energy: 0.7962486764166703
Energy: 0.6480080119415266
Energy: 0.6404230035951181
Energy: 0.8036302319868733
Energy: 0.6476709443555129
Energy: 0.7120796782022765
Energy: 0.7717632589199013
Energy: 0.7610871079323293
Energy: 0.6975184272289097
Energy: 0.7700690901659928
Energy: 0.6475632150127679
Energy: 0.8050894975979976
Energy: 0.7362582171758887
Energy: 0.6803567468300946
Energy: 0.680979435950602
Energy: 0.6685501222455558
Energy: 0.6388204690205741
Energy: 1.1109662789555272
Energy: 0.6779337520297372
Energy: 0.6775801214443492
Energy: 0.7761287085307571
Energy: 0.6764016698501374
Energy: 0.7556160804907515
Energy: 0.8676114948864633
Energy: 0.7606272013991479
Energy: 0.6796290323119997
Energy: 0.779857898802285
Energy: 0.7929772070551373
Energy: 0.640485615555411
Energy: 0.6654689746422716
Energy: 0.7745550127678045
Energy: 0.7331412854563717
Energy: 0.6969055947495656
Energy: 0.7738977528948464
Energy: 0.6797370299537604
Energy: 0.6687864392694707
Energy: 0.7691771954923218
Energy: 0.63935996432247
Energy: 0.6500948357048993
Energy: 0.7810368475478967
Energy: 0.625363233275717
Energy: 0.937591257849718
Energy: 0.6651884144084778
Energy: 0.6390625869305478
Energy: 0.7816667241933907
Energy: 0.6241344768983493
Energy: 0.6453324818538185
Energy: 0.7826119637542596
Energy: 0.6169745977726651
Energy: 0.6762228491924063
Energy: 0.7829784200826744
Energy: 0.6175333405480478
Energy: 0.6789724604971842
Energy: 0.7116307303798645
Energy: 0.6513226996501527
Energy: 0.638611115947107
Energy: 0.7119312594039082
Energy: 0.6511502397055402
Energy: 0.6478034229127136
Energy: 0.6446592747539917
Energy: 0.6496164594878602
Energy: 0.6499081340229014
Energy: 0.6154593321229908
Energy: 0.666868783204609
Energy: 0.6363396718408403
Energy: 0.6516302471904819
Energy: 0.7016824809813511
Energy: 0.7012371867104181
Energy: 0.6450330644949822
Energy: 0.7019015071567847
Energy: 0.6543689064164347
Energy: 0.675520648655211
Energy: 0.6087599800030595
Energy: 0.6104138909445164
Energy: 0.6206584080620108
Energy: 0.7130533991197364
Energy: 0.6112685600607499
Energy: 0.6555636932756741
Energy: 0.6057929249968718
Energy: 0.6140185782028069
Energy: 0.6556892087288126
Energy: 0.6057191008261176
Energy: 0.6139875479866238
Energy: 0.6605075245674735
Energy: 0.6044158772614767
Energy: 0.6044646304767759
Energy: 0.6616086267001012
Energy: 0.6029838147201917
Energy: 0.6046855103596349
Energy: 0.6779163054785747
Energy: 0.6036871905001644
Energy: 0.6045966400896653
Energy: 0.6045737301642314
Energy: 0.6015389459821694
Energy: 0.6052132174286172
Energy: 0.664988119317732
Energy: 0.656135731567573
Energy: 0.6558602817604945
Energy: 0.6659338332519652
Energy: 0.6568240946947687
Energy: 0.6366867237015346
Energy: 0.6729757536860227
Energy: 0.6093514333637449
Energy: 0.6093379354275681
Energy: 0.6092367511153891
Energy: 0.6174757138337091
Energy: 0.6093577218692803
Energy: 0.7068347791500419
Energy: 0.6089070105099467
Energy: 0.6092377597111958
Energy: 0.7005275486142314
Energy: 0.6153854586094653
Energy: 0.6097877756968406
Energy: 0.7070007335436125
Energy: 0.6151591887997673
Energy: 0.6364879954654387
Energy: 0.7010693243704138
Energy: 0.6148067354518627
Energy: 0.635319137132007
Energy: 0.8957953218967106
Energy: 0.6379203388380186
Energy: 0.6393212522796541
Energy: 0.6490222063346613
Energy: 0.6956392551881665
Energy: 0.6372805863815947
Energy: 0.6614941796507622
Energy: 0.7748149941328067
Energy: 0.6790774328164133
Energy: 0.6468632506213978
Energy: 0.7975761899540856
Energy: 0.6791912772923128
Energy: 0.6553207241500743
Energy: 0.7409946433878088
Energy: 0.6769571197624138
Energy: 0.6469591459095809
Energy: 0.7467868243786329
Energy: 0.6603601290634531
Energy: 0.7003699275257802
Energy: 0.7689524976377374
Energy: 0.7384224995374811
Energy: 0.6835426568932604
Energy: 0.7676095003282866
Energy: 0.6873528896859807
Energy: 0.861321269480731
Energy: 0.6520797881639151
Energy: 0.7557836439525729
Energy: 0.7485923098443957
Energy: 0.651068654473624
Energy: 0.7572876827985369
Energy: 0.93753753189406
Energy: 0.716287336061024
Energy: 0.7113837774874381
Energy: 0.8009088693802372
Energy: 0.6686610636644053
Energy: 0.6470539339133105
Energy: 0.670404218467721
Energy: 0.7696314870531585
Energy: 0.7701018643636424
Energy: 0.6523667981614462
Energy: 0.7828951513377034
Energy: 0.6165663228993388

minimum gb energy = 0.6015389459821694 eV
minimum distance =  2.40638518623442 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.6046588273737934
Energy: 0.825421530504498
Energy: 0.6666953774868336
Energy: 0.6008507292436529
Energy: 0.8151551595640476
Energy: 0.6321307611216049
Energy: 0.8180438590918879
Energy: 0.608490292070723
Energy: 0.610664023147302
Energy: 0.7730795124260862
Energy: 0.7331693069433404
Energy: 0.6049531945163449
Energy: 0.8824610412768441
Energy: 0.5786084470928695
Energy: 0.5787458903161492
Energy: 0.7380465795424829
Energy: 0.5785717451556285
Energy: 0.636076296298842
Energy: 0.7783608497482661
Energy: 0.5785957294008017
Energy: 0.6672220439733609
Energy: 0.6574496059075926
Energy: 0.5872073958171055
Energy: 0.6748280846630568
Energy: 0.6649900120858999
Energy: 0.6094483829027201
Energy: 0.6116479368198264
Energy: 0.6649093018626492
Energy: 0.6084890208376208
Energy: 0.6006242371944183
Energy: 0.5917512686395143
Energy: 0.606454084277575
Energy: 0.5781073568695698
Energy: 0.5730176896883492
Energy: 0.6384288926084998
Energy: 0.5791439598946234
Energy: 0.6198515803419694
Energy: 0.6790359941412898
Energy: 0.6449782643367864
Energy: 0.5732573989960222
Energy: 0.6769226438543704
Energy: 0.5694069817741251
Energy: 0.6206065577138845
Energy: 0.5601613324169514
Energy: 0.5602159615339256
Energy: 0.584616882416046
Energy: 0.5592068450204112
Energy: 0.5699879265235269
Energy: 0.6225882427502581
Energy: 0.5743566663218193
Energy: 0.5766982636046043
Energy: 0.6241040920599434
Energy: 0.6484801119903447
Energy: 0.6208390898430923
Energy: 0.6198764447949583
Energy: 0.55893136661428
Energy: 0.5586831136978961
Energy: 0.6200285099103673
Energy: 0.564153205347451
Energy: 0.558282227214011
Energy: 0.6025682689374711
Energy: 0.5648398218471732
Energy: 0.5608617988341525
Energy: 0.5581570256222228
Energy: 0.5969783085454663
Energy: 0.5597802534513685
Energy: 0.6088006770068322
Energy: 0.6040796416798734
Energy: 0.5562391110386969
Energy: 0.5957422841789822
Energy: 0.6019053581423874
Energy: 0.5551811948126099
Energy: 0.5965193303037561
Energy: 0.5557280686226478
Energy: 0.5575758216369209
Energy: 0.5554345059060658
Energy: 0.5665212990187061
Energy: 0.5578455706322711
Energy: 0.5975535824214104
Energy: 0.5570236113809088
Energy: 0.556068992845781
Energy: 0.5990929881315158
Energy: 0.5923278988826584
Energy: 0.5967955048603882
Energy: 0.5971652288024519
Energy: 0.5586165850343199
Energy: 0.5566311553339576
Energy: 0.5985258880180404
Energy: 0.5606290320623926
Energy: 0.5614621523316083
Energy: 0.6316688661417126
Energy: 0.6364867360907144
Energy: 0.5570308208056748
Energy: 0.558757976162765
Energy: 0.6287912893017314
Energy: 0.5567262780343847
Energy: 0.5987491687520604
Energy: 0.6201696900914876
Energy: 0.5799170445655744
Energy: 0.5650312589567821
Energy: 0.6265076518343581
Energy: 0.5683083304906578
Energy: 0.5998350557233133
Energy: 0.5789237920288306
Energy: 0.5717663385644236
Energy: 0.6004142318011116
Energy: 0.5774041107250106
Energy: 0.5691022761771583
Energy: 0.672583789689275
Energy: 0.5831327050179411
Energy: 0.5723157454010395
Energy: 0.6741205428916134
Energy: 0.5687435004418644
Energy: 0.6592719556867271
Energy: 0.6734427174233091
Energy: 0.5839316403660522
Energy: 0.583353136066251
Energy: 0.6065919006598843
Energy: 0.5826542928863881
Energy: 0.607203701723958
Energy: 0.7615698615186964
Energy: 0.6490034123076238
Energy: 0.6467894349314138
Energy: 0.6215334821486693
Energy: 0.6708012468247817
Energy: 0.6063782947199113
Energy: 0.5975745248005143
Energy: 0.7061116664455721
Energy: 0.6097957763411659
Energy: 0.5718178432978466
Energy: 0.7731304480190682
Energy: 0.6072272194011965
Energy: 0.6247315251648741
Energy: 0.7277440494075191
Energy: 0.720439686995872
Energy: 0.6075555680056594
Energy: 0.7371370973115384
Energy: 0.604406481140244
Energy: 0.846291804455277
Energy: 0.6729898502127012
Energy: 0.5992323187505789
Energy: 0.6249096891496758
Energy: 0.6338933037375521
Energy: 0.6117969565568967
Energy: 0.7677288517751004
Energy: 0.6095565941296608
Energy: 0.6106992103075328
Energy: 0.7392703985858702
Energy: 0.609658390890618
Energy: 0.7092863951235007
Energy: 0.8222541868656518
Energy: 0.7013873981969871
Energy: 0.6563254690170096
Energy: 0.7328508791564281
Energy: 0.7337867665353048
Energy: 0.6848376038963003
Energy: 0.6029357267479476
Energy: 0.6955508028367421
Energy: 0.6319300980568272
Energy: 0.587634148625553
Energy: 0.7041414598490303
Energy: 0.6329297430961209

minimum gb energy = 0.5551811948126099 eV
minimum distance =  2.39929550197581 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.5154173395608922
Energy: 0.6695174115670883
Energy: 0.5914727674409602
Energy: 0.5119934936317203
Energy: 0.6792941416425512
Energy: 0.5346850139620123
Energy: 0.7501093058068039
Energy: 0.5159786447449131
Energy: 0.5059043066184169
Energy: 0.615301814283179
Energy: 0.5164159426835949
Energy: 0.5054408560930033
Energy: 0.7532689175657413
Energy: 0.4866392532664345
Energy: 0.5013026261013069
Energy: 0.6184370989732557
Energy: 0.4859154165532841
Energy: 0.5005869793997998
Energy: 0.6617445594588363
Energy: 0.5082906060442715
Energy: 0.50095869875112
Energy: 0.5651060555633795
Energy: 0.48919216597633836
Energy: 0.5779824888366607
Energy: 0.5301059067945
Energy: 0.5112961553054489
Energy: 0.5122550298263663
Energy: 0.5041147486428124
Energy: 0.5237277965653291
Energy: 0.5023334406648228
Energy: 0.4990812254505915
Energy: 0.5012360949832977
Energy: 0.49598006324371796
Energy: 0.4748898998809069
Energy: 0.5490434436113213
Energy: 0.48116332904025905
Energy: 0.6885597586473357
Energy: 0.5928612171819626
Energy: 0.5470913782001604
Energy: 0.48185322576034406
Energy: 0.5933702161934415
Energy: 0.4825548395072096
Energy: 0.6882203680083206
Energy: 0.4702479264323188
Energy: 0.4707413357024867
Energy: 0.48026780371265415
Energy: 0.4671152666537907
Energy: 0.4705884271335439
Energy: 0.5494809565474166
Energy: 0.503689191513892
Energy: 0.5197339019924491
Energy: 0.5510049032734197
Energy: 0.46243723050975455
Energy: 0.5470488107636399
Energy: 0.5358515706631519
Energy: 0.46649849771228985
Energy: 0.46705860218945616
Energy: 0.536335365477944
Energy: 0.4660840986990304
Energy: 0.4666454518326057
Energy: 0.49462692781419076
Energy: 0.4649814791153909
Energy: 0.46428067727726735
Energy: 0.4666794457917463
Energy: 0.5195965631907137
Energy: 0.46091684370400693
Energy: 0.6602283706478461
Energy: 0.5194948693341893
Energy: 0.5305942291416802
Energy: 0.4614149040484772
Energy: 0.519775142076645
Energy: 0.46130999414239243
Energy: 0.6605454628198071
Energy: 0.5092351716663162
Energy: 0.5147705287127511
Energy: 0.4609947130912257
Energy: 0.5074775053635664
Energy: 0.5127416447894947
Energy: 0.5037748971485269
Energy: 0.4631495087621468
Energy: 0.5102656855975004
Energy: 0.5052850548074743
Energy: 0.5082601549333308
Energy: 0.5037486215302271
Energy: 0.5039040013705047
Energy: 0.45926668814745886
Energy: 0.4592859245175127
Energy: 0.5037481971790261
Energy: 0.45992339862708626
Energy: 0.4586903476702577
Energy: 0.4990296604427239
Energy: 0.49628448061273045
Energy: 0.5049860305861972
Energy: 0.45671924663880054
Energy: 0.49651789805219326
Energy: 0.4590888753734216
Energy: 0.5070482465213624
Energy: 0.4964034532732654
Energy: 0.5054240506327141
Energy: 0.4617069298607611
Energy: 0.49636776090134216
Energy: 0.46246966846817705
Energy: 0.4965335744277633
Energy: 0.5063202830617308
Energy: 0.46269866170051654
Energy: 0.5085742271573458
Energy: 0.5052300435578985
Energy: 0.46213212429938855
Energy: 0.49670321371648446
Energy: 0.4853572163733403
Energy: 0.49601169704172143
Energy: 0.49741796422613604
Energy: 0.5494392723851096
Energy: 0.496492411986082
Energy: 0.4963439194748088
Energy: 0.5113075340491711
Energy: 0.4630976305025338
Energy: 0.509219139383502
Energy: 0.5046197896791846
Energy: 0.46257924420121765
Energy: 0.5221088051637768
Energy: 0.5036208095720145
Energy: 0.5051778869045226
Energy: 0.4631990537237901
Energy: 0.5035925622532212
Energy: 0.4624759886528222
Energy: 0.5005818228847944
Energy: 0.5035365024418739
Energy: 0.4857360029793554
Energy: 0.4584222534257325
Energy: 0.5040331982264701
Energy: 0.4572602232574208
Energy: 0.5206300023471625
Energy: 0.46097974772577793
Energy: 0.46098522779951157
Energy: 0.519639997707197
Energy: 0.4609255330299588
Energy: 0.4607128166161246
Energy: 0.5200111869045471
Energy: 0.4648209290373548
Energy: 0.5193787819596125
Energy: 0.5215015312422734
Energy: 0.48763878937934424
Energy: 0.5194954735137028
Energy: 0.6709420008901791
Energy: 0.48974731971175006
Energy: 0.466156202367097
Energy: 0.4660177723758887
Energy: 0.4903752662634036
Energy: 0.4652513776502223
Energy: 0.6720359693576946
Energy: 0.5468856078057065
Energy: 0.5181595754113074
Energy: 0.4661766131983394
Energy: 0.5468835968978417
Energy: 0.4656484775792476
Energy: 0.4971097763923596
Energy: 0.48127708125169
Energy: 0.47743908373906185
Energy: 0.4717506454984917
Energy: 0.5470563069511674
Energy: 0.4693348774865576
Energy: 0.5194237330460125
Energy: 0.48324843195650213
Energy: 0.4777082689334954
Energy: 0.49526313784340326
Energy: 0.48291993206685974
Energy: 0.4783794284475375
Energy: 0.5949907292367641
Energy: 0.5160698891325648
Energy: 0.5199322615743851
Energy: 0.5959762110482985
Energy: 0.4696498898210784
Energy: 0.5941546817251018
Energy: 0.7156007845789608
Energy: 0.47794903058306304
Energy: 0.4866923993399616
Energy: 0.5119416922594934
Energy: 0.47732544966868473
Energy: 0.4879405981815322
Energy: 0.7139765097910039
Energy: 0.5631204118950015
Energy: 0.5120026266109329
Energy: 0.5634416395032333
Energy: 0.562755476485557
Energy: 0.5073233209487145
Energy: 0.5064074394531091
Energy: 0.5722463149176873
Energy: 0.5157090989338858
Energy: 0.48665469572827297
Energy: 0.619817177213528
Energy: 0.5016272060974701
Energy: 0.5478403803059052
Energy: 0.6172256169839517
Energy: 0.5529232068861049
Energy: 0.5325074784152053
Energy: 0.6235540895719817
Energy: 0.5069620786565467
Energy: 0.7156965129802098
Energy: 0.5269490553655434
Energy: 0.5267941060913388
Energy: 0.5213086302365567
Energy: 0.4888605320724886
Energy: 0.5679221548027815
Energy: 0.7525641553775142
Energy: 0.5064542566266405
Energy: 0.5294174915755026
Energy: 0.5833426991163044
Energy: 0.5069105810811945
Energy: 0.5340599580369793
Energy: 0.7499757642803433
Energy: 0.5834795637258451
Energy: 0.552417610217151
Energy: 0.5519697943853692
Energy: 0.6237563865130419
Energy: 0.5060375993792731

minimum gb energy = 0.45671924663880054 eV
minimum distance =  2.40362309378829 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.02691273207666793
Energy: 0.041366347813123566
Energy: 0.027231608491317203
Energy: 0.02910766947553599
Energy: 0.04030696959367503
Energy: 0.02784275156578071
Energy: 0.027619147411154978
Energy: 0.07642343026777794
Energy: 0.07601750676105079
Energy: 0.027717105389295626
Energy: 0.07496888118107226
Energy: 0.07588741688518709
Energy: 0.04040426621338789
Energy: 0.02755451309137188
Energy: 0.02779766241361844
Energy: 0.040380458443967836
Energy: 0.0274532306190489
Energy: 0.06346685108609516
Energy: 0.07477073395955662
Energy: 0.027695088044036333
Energy: 0.02802523408764503
Energy: 0.07471393927658047
Energy: 0.027697917503288802
Energy: 0.06336715601152873
Energy: 0.0631142595277786
Energy: 0.04049925328767504
Energy: 0.0404189371908589
Energy: 0.06383680331742803
Energy: 0.040413735827764044
Energy: 0.040290750842972615
Energy: 0.02803715044811004
Energy: 0.0749079255932165
Energy: 0.027576017275638666
Energy: 0.029753414905482407
Energy: 0.07520865484670472
Energy: 0.027549025036151698
Energy: 0.027525086174205012
Energy: 0.07558883337049715
Energy: 0.07539259965616141
Energy: 0.02770605982830036
Energy: 0.07477160609101105
Energy: 0.07572992524535406
Energy: 0.04049522649095934
Energy: 0.027467262438863556
Energy: 0.027717438007113352
Energy: 0.040464667387086935
Energy: 0.027475131454362676
Energy: 0.06335907035493667
Energy: 0.07461600398452674
Energy: 0.027276054916747783
Energy: 0.063712212060496
Energy: 0.06258320597860698
Energy: 0.027537534095323012
Energy: 0.06467213628080926
Energy: 0.0272017677570193
Energy: 0.07464204782803502
Energy: 0.07478269612447075
Energy: 0.02732251756215604
Energy: 0.07467003431927832
Energy: 0.07549074020727994

minimum gb energy = 0.02691273207666793 eV
minimum distance =  2.53036525837419 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.5961491348659821
Energy: 0.5856351067120904
Energy: 0.6256519333682762
Energy: 0.5233479930246309
Energy: 0.5850212077249382
Energy: 0.5249473864669539
Energy: 0.6014807609204345
Energy: 0.5845319708513426
Energy: 0.5831054576595547
Energy: 0.5844119888458436
Energy: 0.5912329809011607
Energy: 0.5892049378872003
Energy: 0.598022723503105
Energy: 0.540238251192649
Energy: 0.5341362502253196
Energy: 0.5811545813399409
Energy: 0.5269055690330158
Energy: 0.5655414940860108
Energy: 0.5614871823609016
Energy: 0.5351396306814099
Energy: 0.5430900215811563
Energy: 0.5612483251124583
Energy: 0.5003220058782661
Energy: 0.579460650221889
Energy: 0.5132906291961117
Energy: 0.5839004273717268
Energy: 0.5891507600126931
Energy: 0.5132422854080417
Energy: 0.5906349620624273
Energy: 0.596912302221412
Energy: 0.5193935246974611
Energy: 0.5904739125315753
Energy: 0.5477506036704406
Energy: 0.47564577998323776
Energy: 0.5897505481106661
Energy: 0.5005759376791905
Energy: 0.5622277212182457
Energy: 0.5756430517308637
Energy: 0.57497256647473
Energy: 0.561507903780719
Energy: 0.5239080945979332
Energy: 0.567885385587785
Energy: 0.5589539284747592
Energy: 0.4844594088046531
Energy: 0.5125475537468658
Energy: 0.5588128165815018
Energy: 0.4571101575531749
Energy: 0.5134777538210218
Energy: 0.5908864858133942
Energy: 0.512779654059954
Energy: 0.5682335823088454
Energy: 0.5676574770430992
Energy: 0.4831388683324438
Energy: 0.5607427537636551
Energy: 0.5370377797632405
Energy: 0.5230755668602763
Energy: 0.5229655198467902
Energy: 0.5369010335542796
Energy: 0.5288100647763964
Energy: 0.5234357523996708
Energy: 0.5631488999596472
Energy: 0.5251385454380914
Energy: 0.5242673436693214
Energy: 0.4647140672791062
Energy: 0.5712145114022731
Energy: 0.48487604487775804
Energy: 0.49079824988701126
Energy: 0.5270919852692746
Energy: 0.5249966413835414
Energy: 0.4907583894453133
Energy: 0.5440327208604868
Energy: 0.49147720757418706
Energy: 0.4905604136570478
Energy: 0.45540209366948686
Energy: 0.49237422068663883
Energy: 0.49066225967717997
Energy: 0.45319431837541835
Energy: 0.4928799866434242
Energy: 0.5680397839007626
Energy: 0.4696480644228495
Energy: 0.4850278459903768
Energy: 0.49454359962334654
Energy: 0.46905743410039946
Energy: 0.48597557466099356
Energy: 0.5590584582685234
Energy: 0.4685645214300429
Energy: 0.46833903308138924
Energy: 0.5589850908413979
Energy: 0.47504946601246895
Energy: 0.46916672877049787
Energy: 0.5591779195139005
Energy: 0.4709218899214415
Energy: 0.5289541993251279
Energy: 0.5328701923702648
Energy: 0.5558877533847413
Energy: 0.5297512071200395
Energy: 0.4568274860917278
Energy: 0.47184916452222114
Energy: 0.45883942553895796
Energy: 0.4567827825552435
Energy: 0.47138548986441636
Energy: 0.4574022220964752
Energy: 0.45682004483437905
Energy: 0.45861208074890325
Energy: 0.5240132157386634
Energy: 0.4567718593580385
Energy: 0.4590296974702426
Energy: 0.459174782211065
Energy: 0.5526650908514328
Energy: 0.45936951078856403
Energy: 0.5154111807397024
Energy: 0.45800731355264485
Energy: 0.4597377507178589
Energy: 0.5153861950548864
Energy: 0.5569339242152476
Energy: 0.456870478067607
Energy: 0.45674523393442507
Energy: 0.5572515814985997
Energy: 0.4628878149164573
Energy: 0.4577994277641802
Energy: 0.5568463449582761
Energy: 0.5004381679942127
Energy: 0.531077887558025
Energy: 0.5557462355359886
Energy: 0.5261260093991811
Energy: 0.5286466837614038
Energy: 0.47052291165413046
Energy: 0.5011505692245599
Energy: 0.4723743582839574
Energy: 0.4688293461204124
Energy: 0.5327496257054504
Energy: 0.4691911472378687
Energy: 0.46828676825021437
Energy: 0.4930060688354814
Energy: 0.49415845033684136
Energy: 0.46825157542697043
Energy: 0.49465726285061284
Energy: 0.4939997321698519
Energy: 0.5603923196043935
Energy: 0.4918300496335762
Energy: 0.49233817103544053
Energy: 0.4580184591612932
Energy: 0.49277460385502103
Energy: 0.4768194051407078
Energy: 0.5782613928767948
Energy: 0.49093428910797393
Energy: 0.4907234625764098
Energy: 0.5788118038429788
Energy: 0.49230301490281325
Energy: 0.4915790598049298
Energy: 0.574310341325821
Energy: 0.47615470847998903
Energy: 0.5023875095008176
Energy: 0.5715433192638225
Energy: 0.4668549598286188
Energy: 0.5239272234878846
Energy: 0.5268828049070903
Energy: 0.4995339679851632
Energy: 0.502007099678967
Energy: 0.5246870026268634
Energy: 0.5758876693709192
Energy: 0.5234391686556806
Energy: 0.5007199753606454
Energy: 0.5671217356290419
Energy: 0.5655792346127645
Energy: 0.500600780833437
Energy: 0.5175030685303095
Energy: 0.5657461463672333
Energy: 0.5640132061225871
Energy: 0.5599344038759378
Energy: 0.5358450689850405
Energy: 0.4685536315693489
Energy: 0.5593548923742205
Energy: 0.49208084125362406
Energy: 0.5246903487699598
Energy: 0.569303305530994
Energy: 0.5692548469954961
Energy: 0.5229336379553785
Energy: 0.5621154379976889
Energy: 0.5673216529572569
Energy: 0.5646062999779504
Energy: 0.49198744858747945
Energy: 0.5230290759554143
Energy: 0.5672716599403713
Energy: 0.46028748046699297
Energy: 0.5235705951788497
Energy: 0.6008771258756321
Energy: 0.5194740533227648
Energy: 0.5913247455184407
Energy: 0.5836672242671529
Energy: 0.4917783230192653
Energy: 0.6179729364765232
Energy: 0.5239435356899089
Energy: 0.5622350652484707
Energy: 0.5613988267036948
Energy: 0.523621668076827
Energy: 0.5660586074622261
Energy: 0.5563351013576702

minimum gb energy = 0.45319431837541835 eV
minimum distance =  2.33258712123143 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.7255892340313558
Energy: 0.725593139343932
Energy: 0.7033766698625784
Energy: 0.6033882320291971
Energy: 0.728062528805398
Energy: 0.7044441721143964
Energy: 0.732608118966546
Energy: 0.7093958192821398
Energy: 0.7019983095410386
Energy: 0.7006564911498288
Energy: 0.7049804248275608
Energy: 0.7076488595184207
Energy: 0.7259128089862851
Energy: 0.6163273257396904
Energy: 0.6845349825478827
Energy: 0.6993701064422821
Energy: 0.6681159738267998
Energy: 0.6939514543273916
Energy: 0.7329482059934241
Energy: 0.6887421629864865
Energy: 0.7012297823733153
Energy: 0.7330867800242228
Energy: 0.6149243817019865
Energy: 0.7039618556858066
Energy: 0.6652107031890429
Energy: 0.7092375664426444
Energy: 0.7095645139270178
Energy: 0.6657285763780765
Energy: 0.7057317456735239
Energy: 0.7073938162359978
Energy: 0.6835249963541795
Energy: 0.7053966163092301
Energy: 0.662799876014503
Energy: 0.6225435186958096
Energy: 0.7048730631350256
Energy: 0.663701064847955
Energy: 0.6670437970106321
Energy: 0.6801452564994187
Energy: 0.6822091113008365
Energy: 0.6674317460898005
Energy: 0.6769047784678303
Energy: 0.6748163009091537
Energy: 0.6662598948773482
Energy: 0.5974087347639424
Energy: 0.6155790023884934
Energy: 0.6663685918751123
Energy: 0.5933201296071741
Energy: 0.6688817552358263
Energy: 0.7009190670830464
Energy: 0.6762712784160599
Energy: 0.6777897803777256
Energy: 0.698341544629946
Energy: 0.6205641534241247
Energy: 0.6828561126640081
Energy: 0.7006041912386759
Energy: 0.6266099010026694
Energy: 0.6223299893269648
Energy: 0.7013914868721484
Energy: 0.6252256709810337
Energy: 0.6230079280473408
Energy: 0.6956662705114521
Energy: 0.6912970040068205
Energy: 0.6221561366092692
Energy: 0.5949478195036579
Energy: 0.6891181626981944
Energy: 0.631055496420618
Energy: 0.5985092414455405
Energy: 0.62814587015871
Energy: 0.6307949091703619
Energy: 0.5942674900237763
Energy: 0.6239101504868706
Energy: 0.5934864355335179
Energy: 0.594211806325054
Energy: 0.6008941609726939
Energy: 0.6201377458169186
Energy: 0.5941830870608347
Energy: 0.5962260755833094
Energy: 0.5937468324373756
Energy: 0.6863785708613152
Energy: 0.5944943078804932
Energy: 0.5946653472878562
Energy: 0.5946183567224028
Energy: 0.6468313637886162
Energy: 0.5940124193646548
Energy: 0.6882354583249907
Energy: 0.597587632828027
Energy: 0.5941781103112783
Energy: 0.6894170823394092
Energy: 0.5963934665412713
Energy: 0.5944365075770784
Energy: 0.6889443221749462
Energy: 0.6444723669829129
Energy: 0.6785700877478958
Energy: 0.6487372277228907
Energy: 0.6498744475592132
Energy: 0.6220221411584704
Energy: 0.6239296238968465
Energy: 0.5914457350309869
Energy: 0.5994942955441572
Energy: 0.6224526972717104
Energy: 0.5869325969658877
Energy: 0.6218751554253777
Energy: 0.6217725848065189
Energy: 0.6797449207899678
Energy: 0.6772507736966087
Energy: 0.6219505432008293
Energy: 0.6770303556485117
Energy: 0.6206364522051019
Energy: 0.6798807710309582
Energy: 0.6984373733073049
Energy: 0.6380843293944934
Energy: 0.6030929290858451
Energy: 0.697953028023633
Energy: 0.638634598170102
Energy: 0.6754988708098179
Energy: 0.672140630687559
Energy: 0.6760461652548009
Energy: 0.6752214921418118
Energy: 0.6708322040793447
Energy: 0.6763436083682081
Energy: 0.7362058701116366
Energy: 0.6394064958107054
Energy: 0.702568677370706
Energy: 0.736843110627147
Energy: 0.6356690948713203
Energy: 0.7041997911445542
Energy: 0.7246277884575727
Energy: 0.6046378809309639
Energy: 0.6834769720202637
Energy: 0.706332964006512
Energy: 0.5993904315731674
Energy: 0.6881263962180746
Energy: 0.6900303989319214
Energy: 0.6691548633648837
Energy: 0.6720211552460982
Energy: 0.6905755696553783
Energy: 0.6678341029108694
Energy: 0.6794648168563004

minimum gb energy = 0.5869325969658877 eV
minimum distance =  2.32445440515525 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.8433946629699304
Energy: 0.855326680491156
Energy: 0.8367088358775772
Energy: 0.7922274927325297
Energy: 0.8554108786441599
Energy: 0.794031195551758
Energy: 0.8609950877824245
Energy: 0.8274066893298432
Energy: 0.7013488568007976
Energy: 0.7575238474522599
Energy: 0.8006876689212485
Energy: 0.7025109288900435
Energy: 0.825499159213181
Energy: 0.7364481848330984
Energy: 0.7698157693688251
Energy: 0.795028970840233
Energy: 0.7398230025405562
Energy: 0.7825414579248157
Energy: 0.7425541025549394
Energy: 0.7693338606746947
Energy: 0.7700980255488943
Energy: 0.7428142930030616
Energy: 0.7476939658450144
Energy: 0.7900825946688278
Energy: 0.7429481493109638
Energy: 0.8017264990900325
Energy: 0.7017348409080658
Energy: 0.7445537453906484
Energy: 0.7986436130268268
Energy: 0.7011529378226113
Energy: 0.7860122986157951
Energy: 0.7489699866020851
Energy: 0.8082647154333438
Energy: 0.6929609401199188
Energy: 0.7483744082695399
Energy: 0.7383829042098493
Energy: 0.7434552627288363
Energy: 0.7568114932739383
Energy: 0.7569262879655657
Energy: 0.7440762890146385
Energy: 0.7562633578235936
Energy: 0.7546389062892777
Energy: 0.7443513079997713
Energy: 0.6915492772342303
Energy: 0.6927870983091217
Energy: 0.7444555429245637
Energy: 0.6964590586266072
Energy: 0.7442548793815802
Energy: 0.7839083954815758
Energy: 0.755964133119094
Energy: 0.7494857404855645
Energy: 0.7511841426533873
Energy: 0.6943698374470086
Energy: 0.7490098680151551
Energy: 0.7830086837453504
Energy: 0.6931796340448295
Energy: 0.6929221320906437
Energy: 0.784087799534105
Energy: 0.6938801119458458
Energy: 0.6929168790683251
Energy: 0.7838423162273803
Energy: 0.693493548212058
Energy: 0.6926568451196718
Energy: 0.6950790499235847
Energy: 0.7390457755415545
Energy: 0.6929626703208305
Energy: 0.6923057359031823
Energy: 0.6919847262566615
Energy: 0.6927628759962604
Energy: 0.6923751699196816
Energy: 0.7106615599579339
Energy: 0.6923915687766347
Energy: 0.6920024553846138
Energy: 0.7486298310150333
Energy: 0.6926327906912608
Energy: 0.6920655795048715
Energy: 0.7564280377554958
Energy: 0.6920805778121292
Energy: 0.7824540628765672
Energy: 0.7561221275238005
Energy: 0.7273963850515835
Energy: 0.6782132749315087
Energy: 0.7829234437528547
Energy: 0.6766789463268449
Energy: 0.7848102302503935
Energy: 0.7476767129460494
Energy: 0.7433985458310337
Energy: 0.7879626403224644
Energy: 0.7458656773869727
Energy: 0.7488242603642942
Energy: 0.7015362250330881
Energy: 0.7680160896611551
Energy: 0.7619856947559003
Energy: 0.7010905235484169
Energy: 0.704786589030507
Energy: 0.7467937826307666
Energy: 0.8254642019639487
Energy: 0.7045865295062108
Energy: 0.7049542139475307
Energy: 0.7945871301600982
Energy: 0.7090706149008539
Energy: 0.7763588318339885
Energy: 0.8635192935306278
Energy: 0.7537045053476235
Energy: 0.7481178275028576
Energy: 0.75362363911371
Energy: 0.7465794840764978
Energy: 0.8084824325466332
Energy: 0.7838667663502003
Energy: 0.7945577746547139
Energy: 0.801757081197797
Energy: 0.7069710712717556
Energy: 0.7943715454780121
Energy: 0.7680883012753976
Energy: 0.7750464252551973
Energy: 0.8012600395628301
Energy: 0.7013589792916161
Energy: 0.7748589080873234
Energy: 0.7997469768631446
Energy: 0.7027000905031436
Energy: 0.8263100692338221
Energy: 0.7219615598548706
Energy: 0.7689310684962497
Energy: 0.7948203851222634
Energy: 0.761974163606539
Energy: 0.7838214118036934
Energy: 0.7943078196124727
Energy: 0.7365433348193792
Energy: 0.7694873151228925
Energy: 0.7937745258759232
Energy: 0.742590857894985
Energy: 0.7908847146701962
Energy: 0.7437471296022296
Energy: 0.7540780041136649
Energy: 0.7027246185122084
Energy: 0.7434909564097434
Energy: 0.8004855129503198
Energy: 0.7019528386474352
Energy: 0.7858243495404724
Energy: 0.6910635639411162
Energy: 0.6909676684016063
Energy: 0.6879467943876195
Energy: 0.6912104499134184
Energy: 0.7616219683777437
Energy: 0.7438248889844228
Energy: 0.75772491725231
Energy: 0.7583919843005288
Energy: 0.7444543236958159
Energy: 0.7571560416134965
Energy: 0.7495786368812976
Energy: 0.7494670176878591
Energy: 0.6915645721003189
Energy: 0.6925234758141486
Energy: 0.7502896466406563
Energy: 0.6961670778659702
Energy: 0.7441617865595702
Energy: 0.7821958127742864
Energy: 0.6928125626091454
Energy: 0.6931344070849584
Energy: 0.7839199026463795
Energy: 0.7400142388665215
Energy: 0.7087966905691118
Energy: 0.782684010906492
Energy: 0.6930684794523301
Energy: 0.692759702608154
Energy: 0.7836003114669324
Energy: 0.6945612995937733
Energy: 0.6928675456083914
Energy: 0.7831225212164905
Energy: 0.7436035899193933
Energy: 0.6936752520968082
Energy: 0.6964162813443647
Energy: 0.7390645301305956
Energy: 0.69313065585939
Energy: 0.6915985437390559
Energy: 0.6925578651892755
Energy: 0.6931920370970626
Energy: 0.6916007137249185
Energy: 0.704867413233282
Energy: 0.6920289014688079
Energy: 0.6930750874323895
Energy: 0.74978557729446
Energy: 0.6922343817953774
Energy: 0.692746655445621
Energy: 0.7525482446494295
Energy: 0.6922876014697336
Energy: 0.7824209927611229
Energy: 0.700360125243283
Energy: 0.7282172068396419
Energy: 0.6778207017632855
Energy: 0.7868457242225367
Energy: 0.6757807452477733
Energy: 0.790664664667161
Energy: 0.7479079321842705
Energy: 0.7442088425259732
Energy: 0.7842265849962601
Energy: 0.7463133720321247
Energy: 0.7287008984840468
Energy: 0.7009096726412465
Energy: 0.7680407901077996
Energy: 0.7580072955207644
Energy: 0.7516981879250064
Energy: 0.7050845745315686
Energy: 0.7591601367946045
Energy: 0.8246660251663577
Energy: 0.7042217363507792
Energy: 0.7053613850346792
Energy: 0.7941305663602779
Energy: 0.6775440538596356
Energy: 0.7768082255037487
Energy: 0.8631751399501625
Energy: 0.7502762733103757
Energy: 0.7520268331912596
Energy: 0.7516731627389062
Energy: 0.746611128677882
Energy: 0.7498237025393074
Energy: 0.7838202438228087
Energy: 0.7957747519517386
Energy: 0.8007760125557408
Energy: 0.7057208457594797
Energy: 0.7951870196135008
Energy: 0.775427170341782

minimum gb energy = 0.6757807452477733 eV
minimum distance =  2.33598800246908 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.9559117215048661
Energy: 0.9066255079038055
Energy: 0.9701741156135112
Energy: 0.8357445061379107
Energy: 0.9063710549843579
Energy: 0.9701035336338965
Energy: 0.9741497553596654
Energy: 0.8712531058063095
Energy: 0.8508621455101341
Energy: 0.8693476981232718
Energy: 0.8698667878512659
Energy: 0.8498428525897708
Energy: 0.9663643231824766
Energy: 0.8535769191255629
Energy: 0.8313217356619104
Energy: 0.8696151890458478
Energy: 0.849889564945377
Energy: 0.829176583066264
Energy: 0.8688307454863637
Energy: 0.8552163443238001
Energy: 0.8316369013477224
Energy: 0.8690949119057504
Energy: 0.8542270594068375
Energy: 0.8607768797127577
Energy: 0.8535188284767
Energy: 0.8699913558474613
Energy: 0.85117447985036
Energy: 0.8564304243716584
Energy: 0.8695999156165348
Energy: 0.8336215729387364
Energy: 0.8711448403700094
Energy: 0.8785892915544306
Energy: 0.8330241917766937
Energy: 0.8567640801050501
Energy: 0.8803139989228926
Energy: 0.8339655335499278
Energy: 0.8525852898647241
Energy: 0.8680335284046363
Energy: 0.8491815021545831
Energy: 0.8530249994597401
Energy: 0.8363439680854231
Energy: 0.8346725284247386
Energy: 0.8547523008999438
Energy: 0.835419938135149
Energy: 0.8331743949554821
Energy: 0.8563066992530648
Energy: 0.8600988090990056
Energy: 0.8552439907340463
Energy: 0.9017514953695448
Energy: 0.8363776411405598
Energy: 0.8328085364822612
Energy: 0.8169405180403914
Energy: 0.8502581682643439
Energy: 0.8326911350613965
Energy: 0.877603951290981
Energy: 0.8576624539334801
Energy: 0.8623908751514051
Energy: 0.835442154027221
Energy: 0.8543173565202132
Energy: 0.8333307969048457
Energy: 0.8788222288538303
Energy: 0.854299226678498
Energy: 0.8351448210848075
Energy: 0.872399507016454
Energy: 0.819159233759047
Energy: 0.8354858756837191
Energy: 0.966849983316808
Energy: 0.8166439238532345
Energy: 0.8167191256784536
Energy: 0.8703170085499919
Energy: 0.8159206447100636
Energy: 0.8865069309467764
Energy: 0.9722763843161789
Energy: 0.8603537265667085
Energy: 0.8492735375202174
Energy: 0.8700306123472853
Energy: 0.8573077462881491
Energy: 0.8496030105168002
Energy: 0.9150654894373282
Energy: 0.8689862777161917
Energy: 0.8168306690251174
Energy: 0.8182599557203174
Energy: 0.8686035502895812
Energy: 0.8168021793569935

minimum gb energy = 0.8159206447100636 eV
minimum distance =  2.34109813755608 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.4353516406477207
Energy: 1.008515231624348
Energy: 0.991510911343838
Energy: 0.9979238788400484
Energy: 0.991077106250927
Energy: 0.9947077052166443
Energy: 1.1044547971792458
Energy: 0.9890259787976678
Energy: 0.9754774998654815
Energy: 0.9792052277221077
Energy: 0.988321083876748
Energy: 0.9874166652267515
Energy: 1.099693397005667
Energy: 0.9686639851644878
Energy: 0.9700767838437366
Energy: 0.9688502089764857
Energy: 0.9680743487489674
Energy: 0.9702479088377726
Energy: 0.9941213188101742
Energy: 0.9653987250246615
Energy: 0.9684055517921646
Energy: 0.9827455697166989
Energy: 0.9638632078309585
Energy: 0.9692366128188474
Energy: 0.9858310812058689
Energy: 0.9758801618399654
Energy: 0.9750126363988115
Energy: 0.9607659860468842
Energy: 0.9763752857607226
Energy: 0.9729973961116891
Energy: 0.9942819791618991
Energy: 0.989793335059609
Energy: 0.9662471915199349
Energy: 0.9760333846619818
Energy: 0.9836318037097759
Energy: 0.9675269620541658
Energy: 0.9897339433271717
Energy: 0.9674642606610624
Energy: 0.9657729814709406
Energy: 0.9881211562129061
Energy: 0.9628381203608706
Energy: 0.9563460502398383
Energy: 0.9954732618940663
Energy: 0.9756993687013482
Energy: 0.9757714294476004
Energy: 0.9720522905084787
Energy: 0.9634139395760836
Energy: 0.9751521927503952
Energy: 0.9990766616099199
Energy: 0.9699131847142385
Energy: 0.9706826560949634
Energy: 0.9571861126106963
Energy: 0.9690004446708513
Energy: 0.9744095605047205
Energy: 0.9995051734677499
Energy: 0.9698380099898498
Energy: 0.9702157863516454
Energy: 0.9568862341466553
Energy: 0.9697008336951332
Energy: 0.9738771704092283
Energy: 1.0053092292583825
Energy: 0.973816492706574
Energy: 0.9737201367485409
Energy: 0.9876700292002583
Energy: 0.9865897507508793
Energy: 0.9735070295886071
Energy: 0.9866502370899847
Energy: 0.9527946867568284
Energy: 0.9946163513785128
Energy: 0.9870475095167661
Energy: 0.9484248767251332
Energy: 0.9849598313669186
Energy: 0.9857428126730091
Energy: 0.9686545165101793
Energy: 0.9704366650096589
Energy: 0.9863285833554719
Energy: 0.9662588443648402
Energy: 0.97631901004476
Energy: 0.9777905280090384
Energy: 0.969580133934549
Energy: 0.9693744464356017
Energy: 0.966467437628574
Energy: 0.9694406596449624
Energy: 0.9696012125826091
Energy: 1.0078486573803218
Energy: 0.9692224644582255
Energy: 0.967794434024756
Energy: 0.9913872889712794
Energy: 0.9688519420651098
Energy: 0.9678110125584696
Energy: 0.9668191538062314
Energy: 0.9693661458762312
Energy: 0.967994889412617
Energy: 0.9671020030502033
Energy: 0.9690792222710971
Energy: 0.9681873853554886
Energy: 0.9744170373478441
Energy: 0.969360233353585
Energy: 0.9697551068146103
Energy: 0.9622751774964297
Energy: 0.9697371275837338
Energy: 0.9585454220757299
Energy: 0.9931744141788397
Energy: 0.9851605483377147
Energy: 0.9872511057887576
Energy: 0.9785810169745357
Energy: 0.9953220886108693
Energy: 0.9757929512908433
Energy: 0.9770175301891946
Energy: 0.9702702798109385
Energy: 0.9705327989999805
Energy: 0.9773969321674685
Energy: 0.9697101386559341
Energy: 0.9700413483772317
Energy: 0.9830288000173544
Energy: 0.9720437948257701
Energy: 0.971870919404938
Energy: 0.9836109928392406
Energy: 0.9700193689731704
Energy: 0.9636754976450219
Energy: 1.0343440609864198
Energy: 0.9700978401167211
Energy: 0.9617847494199013
Energy: 0.9676157710939686
Energy: 0.9694884966663432
Energy: 0.9698652112603862
Energy: 1.030587397565986
Energy: 0.9685947545575793
Energy: 0.9694001302559723
Energy: 1.0309712260177728
Energy: 0.968184517897322
Energy: 0.9680890317832036
Energy: 0.9772493636240566
Energy: 0.9788664983975799
Energy: 0.9887662243039226
Energy: 0.9487593404109795
Energy: 0.9663591455183074
Energy: 0.9954367255028252
Energy: 1.0397062796321876
Energy: 0.9618044314489907
Energy: 0.9590256602361265
Energy: 0.9685534455611928
Energy: 0.9751332112541372
Energy: 0.9706899675948109
Energy: 1.0327930260882718
Energy: 0.9669409544659413
Energy: 0.9697416241380243
Energy: 1.034388822061706
Energy: 0.9774482091949597
Energy: 0.9674043190919304
Energy: 1.0194354634656575
Energy: 0.9587987685557827
Energy: 0.9683576477789126
Energy: 0.9691772150857262
Energy: 0.9631253523091277
Energy: 0.9688919719284769
Energy: 1.0114256209507686
Energy: 0.9662763946398697
Energy: 0.9675336083136094
Energy: 0.9689839849584009
Energy: 0.9666020004961797
Energy: 0.9682325973918128
Energy: 1.0117692177646145
Energy: 0.9676267277118001
Energy: 0.9683755369018184
Energy: 0.9684700876240969
Energy: 0.9698819723138639
Energy: 0.9674833510523229
Energy: 1.0112818493954971
Energy: 0.9514417217182337
Energy: 0.9601649945946339
Energy: 1.0445561377354144
Energy: 0.9695972027193791
Energy: 0.9582715658049183
Energy: 1.105847379340159
Energy: 0.968944730860766
Energy: 0.9763275367687821
Energy: 0.9663560456155228
Energy: 0.9873467633275083
Energy: 0.9695074212721593
Energy: 0.9897107646435462
Energy: 1.0004796929486466
Energy: 0.9751255282963431
Energy: 0.9439820035811404
Energy: 0.987122675435524
Energy: 1.0151658417061435

minimum gb energy = 0.9439820035811404 eV
minimum distance =  2.3016562913825 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.3173715236904884
Energy: 1.0128588499912283
Energy: 1.0794403825113124
Energy: 1.0523241522595785
Energy: 1.6364131706090188
Energy: 1.0816997896489322
Energy: 1.0654928060495064
Energy: 1.0142599517566775
Energy: 1.015589579023877
Energy: 1.0146680167116078
Energy: 1.0128693769870059
Energy: 1.0133757116355744
Energy: 1.0628756809550017
Energy: 1.0058170355640559
Energy: 1.0084662303798761
Energy: 1.0127844776886061
Energy: 1.0067085595662986
Energy: 1.0120701043082498
Energy: 1.0269884706962253
Energy: 1.0137783939307337
Energy: 1.012628521418252
Energy: 1.0133460747484846
Energy: 1.010486942446534
Energy: 1.0126007604056582
Energy: 1.0809088926904697
Energy: 1.014301951983277
Energy: 1.0119143665226509
Energy: 1.0183122407932133
Energy: 1.0171087019177678
Energy: 1.0114686155669377
Energy: 1.029104561563102
Energy: 1.0133590717572296
Energy: 1.012853695635513
Energy: 1.0126279585927187
Energy: 1.0418445811673587
Energy: 1.0122012192812515
Energy: 1.0506838235324496
Energy: 1.018746705814629
Energy: 1.0174742516578377
Energy: 1.0443386000945956
Energy: 1.02285263060377
Energy: 1.0121085255774906
Energy: 1.0646935344199455
Energy: 1.0159285663468847
Energy: 1.0135909188172127
Energy: 1.012884608314093
Energy: 1.0122390597614481
Energy: 1.013111481542111
Energy: 1.0209992624020923
Energy: 1.0151900525547708
Energy: 1.0049535406129833
Energy: 1.00507688191239
Energy: 1.0138188691203822
Energy: 1.004146386827275
Energy: 1.02005810691203
Energy: 1.015155664517323
Energy: 1.0048249820344308
Energy: 1.005033835028728
Energy: 1.0129553100307578
Energy: 1.0042027909050724
Energy: 1.0647691510027575
Energy: 1.0163983817298907
Energy: 1.0172551545958326
Energy: 1.0136813826960382
Energy: 1.0150760288467089
Energy: 1.0135271039867733
Energy: 1.0354442032229836
Energy: 1.006277725623351
Energy: 1.0060010474941476
Energy: 1.0229172984249666
Energy: 1.0059180220985988
Energy: 1.0152860846146947
Energy: 1.0278251001126577
Energy: 1.0120582780792537
Energy: 1.0129410989216723
Energy: 1.0147412556136532
Energy: 1.0130004195415008
Energy: 1.0118913630068351
Energy: 1.0283116351197004
Energy: 1.012821797975674
Energy: 1.0126061947849088
Energy: 1.0125006130346184
Energy: 1.050928925342627
Energy: 1.0127011205971046
Energy: 1.0598844935027831
Energy: 1.008601720615629
Energy: 1.0127159544874678
Energy: 1.016357512825892
Energy: 1.012416062886164
Energy: 1.0120667307306666
Energy: 1.061898443891929
Energy: 1.0083519269338588
Energy: 1.0067961415122197
Energy: 1.013411441194029
Energy: 1.0050916979619655
Energy: 1.0148614293646312
Energy: 1.021023035299252
Energy: 1.01372395406319
Energy: 1.0158094225759393
Energy: 1.0072273804491536
Energy: 1.0135223101252795
Energy: 1.0138811874258153

minimum gb energy = 1.004146386827275 eV
minimum distance =  2.35207462560521 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.6042255948715918
Energy: 1.0263987707841253
Energy: 1.0564610003331563
Energy: 1.0748302290561438
Energy: 1.0028190809709197
Energy: 1.0843932260934819
Energy: 1.1238190617703159
Energy: 1.012833974381595
Energy: 1.0344241022675769
Energy: 1.0283221107086802
Energy: 1.0131902700243
Energy: 1.0303637232157274
Energy: 1.0549124357404907
Energy: 1.030669628475228
Energy: 1.0157526384529505
Energy: 1.0474466138858436
Energy: 1.0309193317585095
Energy: 1.0123653104711434
Energy: 1.0347217494718688
Energy: 1.0356892064897965
Energy: 1.035118506276362
Energy: 1.0352917438397242
Energy: 1.038966188719806
Energy: 1.0343521945946472
Energy: 1.078754109753213
Energy: 1.0147853035306853
Energy: 1.0163101968691963
Energy: 1.0127020079585136
Energy: 1.0138762706898683
Energy: 1.0204020674589507
Energy: 1.038620536578795
Energy: 1.014708797027285
Energy: 1.0221275759380961
Energy: 1.0149161866610008
Energy: 1.0164175717940755
Energy: 1.023467336932992
Energy: 1.0335446414509906
Energy: 1.0021251061326986
Energy: 0.9847243004319209
Energy: 1.012109852177232
Energy: 0.981369991704355
Energy: 1.0606047599881256
Energy: 1.0697636027832027
Energy: 1.0323665939843478
Energy: 1.0183274098968018
Energy: 1.0135914216945108
Energy: 1.0285795791387007
Energy: 1.0159251726814749
Energy: 1.1048153878914335
Energy: 1.0137254044630815
Energy: 1.0143547976615601
Energy: 1.0471488716438284
Energy: 1.0133060326826222
Energy: 1.0145112946012707
Energy: 1.1054074694009663
Energy: 1.0137129629689627
Energy: 1.014631286910962
Energy: 1.0472883608622838
Energy: 1.0132602616303754
Energy: 1.0180852479361082
Energy: 1.0693806161225665
Energy: 1.0184924872435879
Energy: 1.019044912915667
Energy: 1.014992082874838
Energy: 1.0215298483310662
Energy: 1.0160950504338306
Energy: 1.0681655039434552
Energy: 1.034220708828155
Energy: 1.0301809927581727
Energy: 1.0131620409795685
Energy: 1.0381922586499464
Energy: 1.0220049422688158
Energy: 1.085407125113413
Energy: 1.037114307224902
Energy: 1.0119958543052994
Energy: 0.9868437548277528
Energy: 1.018197096671749
Energy: 1.0178300181137858
Energy: 1.1773699430482019
Energy: 1.0351420900610881
Energy: 1.0341440635254726
Energy: 1.0471569204913218
Energy: 1.0222571258530617
Energy: 1.036619103202939
Energy: 1.0662370751800858
Energy: 1.0190475301779285
Energy: 1.0185145274796223
Energy: 1.0161169889744863
Energy: 1.0270886921796707
Energy: 1.0207109046091387
Energy: 1.0535915822059516
Energy: 1.014391757821317
Energy: 1.0183420799780956
Energy: 1.014059140668936
Energy: 1.0145376688325882
Energy: 1.004829305097445
Energy: 1.056616542838217
Energy: 1.0374315990717022
Energy: 1.0350934372351641
Energy: 1.0383810272759115
Energy: 1.0409957449401177
Energy: 1.033783788350364
Energy: 1.163255317865757
Energy: 1.0195736701934681
Energy: 1.020785803332025
Energy: 1.026758255646074
Energy: 1.016288443364507
Energy: 1.0223967099545497
Energy: 1.0571655136417837
Energy: 1.0325650859685425
Energy: 1.0312144788832012
Energy: 1.020525003783554
Energy: 1.0394003740129767
Energy: 1.0303525210558455
Energy: 1.05574552232754
Energy: 1.0325548856231253
Energy: 1.0313914482556925
Energy: 1.0184913048478201
Energy: 1.0358880487381266
Energy: 1.0308365507802266
Energy: 1.0494139541631193
Energy: 1.0195799691967542
Energy: 1.0206127971515024
Energy: 1.028066438103138
Energy: 1.0174365518155077
Energy: 1.0210864041060481

minimum gb energy = 0.981369991704355 eV
minimum distance =  2.329000880917 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.4601282581349369
Energy: 1.446037781093555
Energy: 0.990312338211127
Energy: 0.9932480535996799
Energy: 1.4421403618235913
Energy: 1.0361262789401997
Energy: 1.2775163133309253
Energy: 1.001413597937805
Energy: 0.9953706782823104
Energy: 1.0334272202951458
Energy: 0.9797246964023331
Energy: 0.9955125611698077
Energy: 1.1268052397261699
Energy: 0.9796832886690856
Energy: 1.011100470200755
Energy: 0.9858691568961212
Energy: 1.0020161843291897
Energy: 0.9956445198743611
Energy: 1.1831801385563756
Energy: 0.9958521711745073
Energy: 0.9906213511317066
Energy: 0.9906683601990632
Energy: 0.9934643858341734
Energy: 1.000633246646119
Energy: 1.045862696899893
Energy: 1.0015548524532198
Energy: 1.0523125449829325
Energy: 1.0463324758177526
Energy: 1.0290877578240962
Energy: 1.0051129459597206
Energy: 1.1392210258803912
Energy: 1.064313004566782
Energy: 1.069431581197993
Energy: 0.9957233256940827
Energy: 1.0681274530424234
Energy: 1.061026746841109
Energy: 1.1385821122610678
Energy: 1.0191188717669035
Energy: 1.0419327018915465
Energy: 0.9843931687284347
Energy: 1.0093319671788783
Energy: 1.0201176562865724
Energy: 1.119041796264009
Energy: 1.0196463509389861
Energy: 1.084184278249256
Energy: 1.0816370547287022
Energy: 1.0430770506266505
Energy: 1.0871599725719987
Energy: 1.1143894663287193
Energy: 1.0648797769443588
Energy: 1.0662222420361542
Energy: 1.0585133557085564
Energy: 1.0638453192119048
Energy: 1.0668981844558398
Energy: 1.1170659825584963
Energy: 1.053870892325209
Energy: 1.05259830542203
Energy: 1.0601993769129112
Energy: 1.0291426048593446
Energy: 1.049137672272344
Energy: 1.1146080384221229
Energy: 1.0779994470233807
Energy: 1.018753708120221
Energy: 1.0057666804206165
Energy: 1.0296697247624595
Energy: 1.1109585737730279
Energy: 1.1042038033543524
Energy: 1.035916832674488
Energy: 1.027883617238242
Energy: 1.0290434465950768
Energy: 1.03140542574893
Energy: 1.0281576890293092
Energy: 1.1823807252316625
Energy: 1.0243845548799
Energy: 1.0239409905186372
Energy: 1.0870172253673782
Energy: 1.0220820622933668
Energy: 1.0286919781192718
Energy: 1.173069608333129
Energy: 1.0456116698261988
Energy: 1.028362769856136
Energy: 1.0785284839769347
Energy: 1.0322878176254782
Energy: 1.030234013481338
Energy: 1.1237940281251768
Energy: 1.0353007292630028
Energy: 1.0337698416084549
Energy: 1.0363803227355368
Energy: 1.0361453595354257
Energy: 1.0342701160043826
Energy: 1.0997208124857791
Energy: 1.0665146648692898
Energy: 1.0606075349238517
Energy: 1.0618491289320557
Energy: 1.066576620290755
Energy: 1.0674151077099827
Energy: 1.0472662724462198
Energy: 1.0542328425304874
Energy: 1.0643063312677177
Energy: 1.0317593689265878
Energy: 1.0537113775319
Energy: 1.061997389419865
Energy: 1.095727170799192
Energy: 1.0657470959372684
Energy: 1.061581170976325
Energy: 1.0619388767272542
Energy: 1.06432340539758
Energy: 1.0648471190251998
Energy: 1.0992961395208414
Energy: 1.026414733977196
Energy: 1.022983080022172
Energy: 1.0806739531683829
Energy: 1.0198551694023241
Energy: 1.0209846367897453
Energy: 1.1370845210518281
Energy: 1.0267686219065792
Energy: 1.0230715836279225
Energy: 0.9849778875104205
Energy: 1.0066686787434938
Energy: 1.0207871893769456
Energy: 1.0713532694390269
Energy: 1.0562217140764447
Energy: 1.0653094597698873
Energy: 1.0632088997033555
Energy: 1.0590917118992393
Energy: 1.0611004797343444
Energy: 1.0443394128549628
Energy: 0.997664129880867
Energy: 1.0138125745196436
Energy: 1.0111200793848232
Energy: 1.0217572130611405
Energy: 1.000237461214313
Energy: 1.1571196625296576
Energy: 1.0000594184592098
Energy: 0.9996874134690642
Energy: 1.0047839519314976
Energy: 1.014607556186751
Energy: 0.9996401984409504
Energy: 1.1113696742222148
Energy: 0.9901368136668542
Energy: 0.9949027763621556
Energy: 0.980678193299968
Energy: 0.9965546498423765
Energy: 0.9883607942503451
Energy: 1.1239888049160673
Energy: 1.0020936868849222
Energy: 0.9963637985736239
Energy: 1.0165651568923544
Energy: 1.0238335470450368
Energy: 1.0115130672520547

minimum gb energy = 0.9796832886690856 eV
minimum distance =  2.29049580373469 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.5660737859664444
Energy: 0.9921476414283655
Energy: 0.960604788533186
Energy: 0.9799433887011895
Energy: 0.9920016907121325
Energy: 0.9517376725151033
Energy: 1.0178362754534251
Energy: 0.9580910967622379
Energy: 0.9798697810778484
Energy: 0.9674219478141598
Energy: 0.9764093687024442
Energy: 0.9672759548823326
Energy: 1.020812308979257
Energy: 0.9681619197320082
Energy: 0.9682251356618418
Energy: 0.9687575093397933
Energy: 0.9678949219870685
Energy: 0.9680370754261042
Energy: 1.0028352759348917
Energy: 0.9868388083280256
Energy: 0.9868100168184796
Energy: 0.9812816916116575
Energy: 0.9680049510425552
Energy: 0.98376385482727
Energy: 1.0153751374237185
Energy: 0.9698565791587087
Energy: 0.9683338767973239
Energy: 0.9809729428213106
Energy: 0.968159477011405
Energy: 1.0827893896683345
Energy: 1.0086412279170376
Energy: 0.9896525177513749
Energy: 0.9835480148092851
Energy: 0.9806898715763948
Energy: 0.985281276625419
Energy: 0.982968800095651
Energy: 1.0000548848438444
Energy: 0.965037887108548
Energy: 0.9655501864436533
Energy: 0.9863872146816229
Energy: 0.9650656370032261
Energy: 0.978231526173173
Energy: 1.003658373403973
Energy: 0.9671911670281892
Energy: 0.9683511315490094
Energy: 0.9676329113951967
Energy: 0.9675466295588011
Energy: 0.9685263431706913
Energy: 1.0054818534699612
Energy: 0.968091894166828
Energy: 0.9692162865692622
Energy: 0.9677174168723572
Energy: 0.9689378981275797
Energy: 0.9692865633071632
Energy: 1.0068092893133118
Energy: 0.9787245489875968
Energy: 0.9695660870901589
Energy: 0.9850189594994375
Energy: 0.969613694526703
Energy: 0.9698797843467135
Energy: 1.0225671997358035
Energy: 0.949905544720504
Energy: 1.184049870794477
Energy: 0.9705468225755838
Energy: 0.9482601223369242
Energy: 1.1815746001836624
Energy: 1.0224408588571392
Energy: 0.9644141129109092
Energy: 0.9502826734482301
Energy: 0.9497691469864377
Energy: 0.9508039411604119
Energy: 0.9528614061142454
Energy: 1.0006520553015552
Energy: 0.9666869389011756
Energy: 0.9817430291044905
Energy: 0.9642584020525156
Energy: 0.9669618295821413
Energy: 0.967466975612815
Energy: 1.017398071104059
Energy: 0.9735017534918119
Energy: 0.9723082873488021
Energy: 0.9512825091212426
Energy: 0.9616391698779457
Energy: 0.9618754360522457
Energy: 1.0343833357774626
Energy: 0.9502198547789503
Energy: 0.9491756914108185
Energy: 0.9540740591040405
Energy: 0.9513065705625336
Energy: 0.9492706208148128
Energy: 1.023150392449912
Energy: 0.9517611827511416
Energy: 0.9528198008502561
Energy: 0.9528042152512187
Energy: 0.9499286908986765
Energy: 0.9511981480711234
Energy: 0.9896348954013482
Energy: 0.9835406764531128
Energy: 0.9822402549500386
Energy: 0.9521747264731997
Energy: 0.9852706935129456
Energy: 0.9823813771624305
Energy: 1.0032497989379425
Energy: 0.9534131020774023
Energy: 0.9526546982944357
Energy: 0.9531393265502622
Energy: 0.9523139193473997
Energy: 0.9515100269462405
Energy: 1.0168749297816346
Energy: 0.9784298480287643
Energy: 0.9757383393028543
Energy: 0.9695904349663693
Energy: 0.9742482260423084
Energy: 0.9829880078172655
Energy: 1.0161103707972063
Energy: 0.975510892345468
Energy: 0.9754573251038305
Energy: 0.9867307361750033
Energy: 0.9654106409468337
Energy: 0.9828666973035888
Energy: 0.9737884453602984
Energy: 0.9523160319196994
Energy: 0.9508187563579782
Energy: 0.9556718406398012
Energy: 0.9531637617742269
Energy: 0.950239003452054
Energy: 0.9768995800942651
Energy: 0.9503995436159247
Energy: 0.9558714261589496
Energy: 0.9500825082678823
Energy: 0.953029065601265
Energy: 0.9502475226130073
Energy: 1.0245389593105219
Energy: 0.9947314717011362
Energy: 0.991318777464389
Energy: 0.9649501969063302
Energy: 0.979727100518883
Energy: 0.9728778281078183
Energy: 0.9985397511863631
Energy: 0.9925550710059744
Energy: 0.9754012369878112
Energy: 0.9998946868725688
Energy: 0.9881179609468383
Energy: 0.9711248077721274
Energy: 0.999231538364271
Energy: 0.950790180118414
Energy: 0.9535437095477768
Energy: 0.9502933432659004
Energy: 0.9522471955244269
Energy: 0.9535006657188146
Energy: 1.0077469663043632
Energy: 0.9685846494096954
Energy: 0.9697961437891046
Energy: 0.9658158119013026
Energy: 0.9764128895682099
Energy: 0.9687865073739034
Energy: 1.0206170974690363
Energy: 0.9693795233967918
Energy: 0.9703793625323154
Energy: 0.9694686018551706
Energy: 0.9679437457101194
Energy: 0.970272847850521
Energy: 1.0213659573054241
Energy: 0.9681734478495455
Energy: 0.9675803179167578
Energy: 0.9685313825417609
Energy: 0.9882700037218392
Energy: 0.9670935793537171
Energy: 0.9989050463330577
Energy: 0.9989984865647534
Energy: 0.9981603731749034
Energy: 0.9787443777882362
Energy: 0.9733277470339112
Energy: 0.9726378886394923

minimum gb energy = 0.9482601223369242 eV
minimum distance =  2.34279038840114 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.4226283977433987
Energy: 0.9250415352760093
Energy: 0.9475982205526309
Energy: 1.3060414229646862
Energy: 0.9255992044815241
Energy: 1.2974018377240304
Energy: 1.061015059124477
Energy: 0.9268157135022371
Energy: 0.9275409491236921
Energy: 0.9231352153999783
Energy: 0.9260617932780797
Energy: 0.9314889998849922
Energy: 0.9770005633602885
Energy: 1.1251135867027564
Energy: 0.9250192845708983
Energy: 0.9218029674820108
Energy: 1.1284616746862677
Energy: 0.9292059935482446
Energy: 0.9663156489337826
Energy: 0.9228497225828162
Energy: 0.9276271453182836
Energy: 0.9095250568545787
Energy: 0.9081065933153817
Energy: 0.9260192542336787
Energy: 0.9615535863986888
Energy: 0.9222170483260174
Energy: 0.9235414155612104
Energy: 0.9431677657256703
Energy: 0.9226674133653808
Energy: 0.9408183440321214
Energy: 0.9480731346824404
Energy: 0.9235711681821474
Energy: 0.9239319880831768
Energy: 0.9361783180429747
Energy: 0.9223147441503816
Energy: 0.927457608857979
Energy: 0.9671750561309206
Energy: 1.1201118031210027
Energy: 1.1195824311545972
Energy: 0.9255877735558186
Energy: 1.1214545892256602
Energy: 0.9272029973969595
Energy: 0.9402513776367494
Energy: 0.9237095540533752
Energy: 0.9247371173647582
Energy: 0.9286343008616647
Energy: 0.9220233010989222
Energy: 0.9730993728521689
Energy: 0.9434594830456552
Energy: 0.9275512287609249
Energy: 0.9251335718781182
Energy: 0.9247427133730226
Energy: 0.9317321219093851
Energy: 0.923465924617753
Energy: 0.9487464162237532
Energy: 0.9428280437497655
Energy: 0.9514850040859887
Energy: 0.9246506528587822
Energy: 0.9404275790971226
Energy: 0.9299600907808439
Energy: 1.008565836943093
Energy: 1.3049777450321836
Energy: 1.3026112331944137
Energy: 0.9249563862134361
Energy: 1.3085088745743045
Energy: 1.3003437420140853
Energy: 0.9783677093539158
Energy: 0.9232692784442628
Energy: 0.9316168458183768
Energy: 0.9224087988534363
Energy: 0.9247114103920212
Energy: 0.9275286442158789
Energy: 0.9486633301007631
Energy: 0.9233757124713917
Energy: 0.9242068425011626
Energy: 1.12477838288727
Energy: 0.9235732885340578
Energy: 0.9250171150206092
Energy: 0.9473188126318053
Energy: 0.9222827437604885
Energy: 0.9274401307311921
Energy: 0.9271427368310771
Energy: 0.9174335709330913
Energy: 0.9262553492415414
Energy: 1.0111001733078038
Energy: 0.9237320522552496
Energy: 0.9235284422712299
Energy: 0.9240202181812768
Energy: 0.9262837585410943
Energy: 0.9250106556114222
Energy: 1.0656496462761011
Energy: 0.9270423586841732
Energy: 0.92340102778571
Energy: 0.9216087256296589
Energy: 0.9276871939290406
Energy: 0.9278764645644635
Energy: 0.9302139019115966
Energy: 0.9874911657030403
Energy: 0.9435073553745928
Energy: 1.296359459867812
Energy: 0.9884992809014848
Energy: 0.8915754251248204
Energy: 1.0213352987289335
Energy: 0.9262971366148365
Energy: 0.9133068452392565
Energy: 0.9403259564753164
Energy: 0.9378274029525874
Energy: 0.9023189615455917
Energy: 0.9787692575307937
Energy: 0.9242213706879682
Energy: 0.9239260972420555
Energy: 0.9227191234104841
Energy: 0.925648919436348
Energy: 0.9254980399814243
Energy: 0.9634365871467002
Energy: 0.9215671301263904
Energy: 0.9222590738234746
Energy: 0.9307413432341459
Energy: 0.9241232946023735
Energy: 0.9316487926152027
Energy: 0.9642035480648611
Energy: 0.9224173332031399
Energy: 0.923676751227125
Energy: 0.9437511288779085
Energy: 0.9223536068111952
Energy: 0.9405192831819992
Energy: 0.9506664059761932
Energy: 0.9297738430436885
Energy: 0.9311662506827222
Energy: 0.9380078285777513
Energy: 0.9292127032344596
Energy: 0.9317551607698212
Energy: 0.9678133438359203
Energy: 0.9208564654721308
Energy: 0.9228735038130603
Energy: 0.9268141091592453
Energy: 0.9214668991921446
Energy: 0.9239035692687079
Energy: 0.9418879316047649
Energy: 0.9257202636211026
Energy: 0.9246881777824926
Energy: 0.9554630315554041
Energy: 0.9262085434660633
Energy: 0.926041056515576
Energy: 0.9476320259306392
Energy: 0.9255573246432345
Energy: 0.9254318440121315
Energy: 0.928697488058341
Energy: 0.9232667362718228
Energy: 0.9214821206166558
Energy: 0.944419857472041
Energy: 0.9260510177058077
Energy: 0.9275093578706232
Energy: 0.9253014982944568
Energy: 0.9248822718862467
Energy: 0.9242139859102888
Energy: 0.9988937327951273
Energy: 0.9025057684729173
Energy: 0.902294692183584
Energy: 0.9230037503054672
Energy: 0.9040102278479364
Energy: 0.903432212131629
Energy: 1.004772177559907
Energy: 0.9021097867482941
Energy: 0.9011032268520294
Energy: 0.9247360712645226
Energy: 0.9046786778014895
Energy: 0.9312651187906968
Energy: 0.9529688184454888
Energy: 0.9221453778279639
Energy: 0.9226187997562183
Energy: 0.9218751113992613
Energy: 0.9205967042258386
Energy: 0.926107814776775
Energy: 0.9517815745225032
Energy: 0.9228323381050547
Energy: 0.923663002607038
Energy: 0.9234461718776817
Energy: 0.9191123621769131
Energy: 0.9277737660595828
Energy: 1.0043750650901353
Energy: 0.9287442938212633
Energy: 0.9278989839104446
Energy: 0.9248705478296585
Energy: 0.9237197228638597
Energy: 0.9281212339277262
Energy: 1.0017012283692768
Energy: 0.9238344741656064
Energy: 0.9218955596432449
Energy: 0.9231264836410665
Energy: 0.9398134043370744
Energy: 0.9245634528586287
Energy: 0.9278876942353991
Energy: 0.9298271271783339
Energy: 0.9008172069823133
Energy: 0.908034562904067
Energy: 0.9291474413659163
Energy: 0.9005829510909389

minimum gb energy = 0.8915754251248204 eV
minimum distance =  2.32573065709835 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.015463000272513653
Energy: 0.9440932939353147
Energy: 0.01613318876288105
Energy: 0.017390576025663983
Energy: 0.9450059565336653
Energy: 0.015920933663355098
Energy: 0.4467423158531058
Energy: 0.13037188859357163
Energy: 0.12852844535939456
Energy: 0.13073901771059723
Energy: 0.13023799835410052
Energy: 0.12838813680078626
Energy: 1.2724852489722518
Energy: 0.9461380909371508
Energy: 0.9448368868598284
Energy: 0.946694671298983
Energy: 0.9464368466258264
Energy: 0.9446274131956959
Energy: 0.016228251700069522
Energy: 0.13037188859357163
Energy: 0.12852844535939456
Energy: 0.13073901770973406
Energy: 0.13023799835368124
Energy: 0.12838813680164943

minimum gb energy = 0.015463000272513653 eV
minimum distance =  2.51884898490474 Angstroms
sigma value = 1