Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Au__MO_017524376569_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.056164935231209
cohesive_energy=3.8004338909439843
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.864281100211199e-20, 1.6092101894232597e-19, 2.1452664476269797e-19, 2.62213830097074e-19, 3.04448808345948e-19, 3.42330672680244e-19, 3.76466648044248e-19, 4.07282913422604e-19, 4.3511111937855e-19, 4.60215625056696e-19, 4.82814326479266e-19, 5.03097882665706e-19, 5.212457373990239e-19, 5.374773888780779e-19, 5.51985098298948e-19, 5.64717596009346e-19, 5.756188058270819e-19, 5.84796073586634e-19, 5.923743690654539e-19, 5.98441811978412e-19, 6.030672959207699e-19, 6.063101014279859e-19, 6.082214981523479e-19, 6.08849551392876e-19, 6.0816702414679195e-19, 6.059432029788e-19, 6.018768786817079e-19, 5.95604357159598e-19, 5.86686642014754e-19, 5.74595014957956e-19, 5.58699820572042e-19, 5.38238422779228e-19, 5.122126655365319e-19, 4.79329592300316e-19, 4.38049511325306e-19, 3.86478649830114e-19, 3.2220252762730196e-19, 2.4210491116374e-19, 1.421677016590194e-19, 1.7168123721627e-20, -1.396634995800774e-19, -3.3778850192285397e-19, -5.902979481477899e-19, -9.14751533945862e-19, -1.336083934272012e-18, -1.89039218869026e-18, -2.6317032954757196e-18, -3.6420999679414794e-18, -5.0516148617029795e-18, -7.07948982735678e-18, -1.010561696659062e-17, -1.484286875093646e-17, -2.2754272773731395e-17, -3.7211353412966994e-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: -6.54468499397482e-28 eV

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

Energy: 0.01317117804383685
Energy: 0.0758522132057644
Energy: 0.0765808557768261
Energy: 0.07642504968754701
Energy: 0.01557023963584842
Energy: 0.01421935472150328
Energy: 0.07563024534992316
Energy: 0.07686149722294354
Energy: 0.07614347858616703
Energy: 0.015069779387593456
Energy: 0.07533608905817328
Energy: 0.07694757110048023
Energy: 0.07590721838188777
Energy: 0.07609822990612294
Energy: 0.07699906770872561
Energy: 0.07557960194542944
Energy: 0.07669544322612092
Energy: 0.07493045995360267
Energy: 0.07602503768407783
Energy: 0.07639843638743105
Energy: 0.07699684515992176
Energy: 0.015724479229061124
Energy: 0.013450892814065911
Energy: 0.07531296714545607
Energy: 0.07576845342023707
Energy: 0.07689318740836897
Energy: 0.015012992659675055
Energy: 0.01356443112048973
Energy: 0.07508279999588556
Energy: 0.07617319968497918
Energy: 0.07575489577487379
Energy: 0.014171072571070214
Energy: 0.014109099622391007
Energy: 0.07624793269668245
Energy: 0.07531510097886994
Energy: 0.07641641710333497
Energy: 0.014337287288735007
Energy: 0.013715038721684426
Energy: 0.07458141053767588
Energy: 0.07516437232920613
Energy: 0.07556857387588939
Energy: 0.0759418124058694
Energy: 0.077504931448423
Energy: 0.014482281468221628
Energy: 0.013994023083338802
Energy: 0.07516764614291038
Energy: 0.07630661789557115
Energy: 0.07700069758212799
Energy: 0.015006365690991045
Energy: 0.0748601716768676
Energy: 0.07698577202744858
Energy: 0.07509239231666653
Energy: 0.07589649819895603
Energy: 0.014122231186926447
Energy: 0.01661449564906629
Energy: 0.07653544700028411
Energy: 0.07500275019974328
Energy: 0.07635377091802063
Energy: 0.014491655355745295
Energy: 0.017294693190107974
Energy: 0.0173211450681622
Energy: 0.07715287018402639
Energy: 0.07553966683755406
Energy: 0.07671116757965318
Energy: 0.0776106352591088
Energy: 0.017124383361129345
Energy: 0.07745375025659798
Energy: 0.07549263004336773
Energy: 0.07644762572189995
Energy: 0.07707987714207518

minimum gb energy = 0.01317117804383685 eV
minimum distance =  2.82993157546079 Angstroms
sigma value = 3


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

Energy: 0.7817634659502648
Energy: 0.5966085059558276
Energy: 0.6056685901399216
Energy: 0.599960871286576
Energy: 0.6028542854756959
Energy: 0.6249241367375292
Energy: 0.606601822589466
Energy: 0.5981041775969871
Energy: 0.6081955679813128
Energy: 0.5996041830563731
Energy: 0.5926657158055855
Energy: 0.5512482071113854
Energy: 0.5990344199740057
Energy: 0.5542594673943881
Energy: 0.4983846650712129
Energy: 0.5173954575301147
Energy: 0.617343237639899
Energy: 0.5924319812274917
Energy: 0.5644540894361777
Energy: 0.5798588575072409
Energy: 0.5515749263008767
Energy: 0.6305571109900842
Energy: 0.5396937423880013
Energy: 0.5898510023871212
Energy: 0.578218405820904
Energy: 0.49724582820565466
Energy: 0.6193941912879195
Energy: 0.5428650824435984
Energy: 0.587704079499538
Energy: 0.5930338299926946
Energy: 0.5738590890422277
Energy: 0.6073854327153694
Energy: 0.6398775598597095
Energy: 0.50259376541175
Energy: 0.5492928470699052
Energy: 0.49834699534641813
Energy: 0.6179178058498586
Energy: 0.6397678018174803
Energy: 0.5697462424648649
Energy: 0.5920370005454695
Energy: 0.5140233738173691
Energy: 0.601898872930807
Energy: 0.623022731343765
Energy: 0.5716706187829356
Energy: 0.5189527602140243
Energy: 0.5853233017193692
Energy: 0.6016416912103724
Energy: 0.6420015019835584
Energy: 0.6706192995747603
Energy: 0.5290980302325724
Energy: 0.632377966369924
Energy: 0.6115288887492975
Energy: 0.633816530114601
Energy: 0.5488382382545249
Energy: 0.6670762233161062
Energy: 0.6315906634488265
Energy: 0.6362241180642505
Energy: 0.6295833840311883
Energy: 0.5473656932653601
Energy: 0.6417766297808771
Energy: 0.6251860379948566
Energy: 0.5832036382631959
Energy: 0.6560774209368359
Energy: 0.5507613634351798
Energy: 0.6236146846032341
Energy: 0.6213810647013613
Energy: 0.6174491347232766
Energy: 0.617360884446214
Energy: 0.5129678087791085
Energy: 0.6320620372188743
Energy: 0.6253762776334414
Energy: 0.6198311715273861
Energy: 0.6115865038785688
Energy: 0.6270738577212562
Energy: 0.6203655828261718
Energy: 0.6192302752687677
Energy: 0.618316377545807
Energy: 0.6171208622165022
Energy: 0.6101900924988488
Energy: 0.6228088069122741
Energy: 0.5762232236514876
Energy: 0.5706713309741711
Energy: 0.5507537595500616
Energy: 0.5605428980424709
Energy: 0.6263634592729436
Energy: 0.5732547305981286
Energy: 0.5683123971015793
Energy: 0.5290146738798228
Energy: 0.5853509958907823
Energy: 0.6224620925253908
Energy: 0.6474923317158193
Energy: 0.5852569711554607
Energy: 0.5513780684403089
Energy: 0.5871523813591345
Energy: 0.6462154502498245
Energy: 0.5830419154354547
Energy: 0.5992499273945711
Energy: 0.5532189634878997
Energy: 0.5768819966190506
Energy: 0.5627837654674414
Energy: 0.6389215923853511
Energy: 0.5545872032475533
Energy: 0.6003384724286982
Energy: 0.5751038952279665
Energy: 0.5353939169698789
Energy: 0.6411343150841802
Energy: 0.5547810745830459
Energy: 0.600109151482331
Energy: 0.5447252085728329
Energy: 0.5611913375797525
Energy: 0.6646434403873966
Energy: 0.5480446367898664
Energy: 0.6543285292515968
Energy: 0.5165261481161485
Energy: 0.6647275728017337
Energy: 0.531761979052854
Energy: 0.5146273290565707
Energy: 0.516932156882043
Energy: 0.516353844033607
Energy: 0.6592843833037276
Energy: 0.6719062354456309
Energy: 0.638251517669163
Energy: 0.6548011992976532
Energy: 0.6356213347876939
Energy: 0.6330876379476017
Energy: 0.5976215605782697
Energy: 0.5757196033333664
Energy: 0.5981330499898357
Energy: 0.6365140550240758
Energy: 0.6364254028011657
Energy: 0.5954274637043876
Energy: 0.5809182019909668
Energy: 0.6317285352428907
Energy: 0.6224355338608826
Energy: 0.5177009998297745
Energy: 0.5277796727056139
Energy: 0.5171527972087904
Energy: 0.6222202184847092
Energy: 0.6265376399982013
Energy: 0.5136262569986072
Energy: 0.6296286251429158
Energy: 0.6143384047376976
Energy: 0.6254877534578005
Energy: 0.6234908224696651
Energy: 0.6210190700997784
Energy: 0.6385770795542614
Energy: 0.6176895671482158
Energy: 0.6188824425600757
Energy: 0.6207656035549156
Energy: 0.6112402246535025
Energy: 0.5777215006904823
Energy: 0.5781421027549003
Energy: 0.6217169505025838
Energy: 0.563853182398625
Energy: 0.5163487027693313
Energy: 0.5280235873376489
Energy: 0.6357030162282952
Energy: 0.6206828975151791
Energy: 0.5727065705744734
Energy: 0.5150206511977249
Energy: 0.5898455266701967
Energy: 0.681192433182296
Energy: 0.5371677086458067
Energy: 0.6020132882680049
Energy: 0.5455791793038992
Energy: 0.5130724821600053
Energy: 0.6584316841467049
Energy: 0.5380456148024367
Energy: 0.5976295560918982
Energy: 0.5732621557686155
Energy: 0.5887579729966336
Energy: 0.5251832787868711
Energy: 0.6585641912313279
Energy: 0.5130123255074664
Energy: 0.547806170745967
Energy: 0.5135491965135668
Energy: 0.5564157518495776
Energy: 0.6400282650406742
Energy: 0.5759989534307047
Energy: 0.5522228354459986
Energy: 0.5168238278712948
Energy: 0.6601339929600942
Energy: 0.6235445073809336
Energy: 0.6189283299568994
Energy: 0.5145163893991674
Energy: 0.5147337671114618
Energy: 0.6233387130530175
Energy: 0.6451419120264844
Energy: 0.6428147530536765
Energy: 0.5705250756414629
Energy: 0.6326384623580756
Energy: 0.632691654266448
Energy: 0.6406869202827188
Energy: 0.5492443203026808
Energy: 0.6647941957682105
Energy: 0.6326038359406302
Energy: 0.6328744974198891
Energy: 0.6300693159708746
Energy: 0.6140428147768229
Energy: 0.652697456807735
Energy: 0.6264560956225905
Energy: 0.6152497895106458
Energy: 0.6180044896976109
Energy: 0.5131051324406912
Energy: 0.6285604510276162
Energy: 0.6226114349142898
Energy: 0.6475340790098545
Energy: 0.5934755373502509
Energy: 0.549517717626341
Energy: 0.5757667037074286
Energy: 0.6271819254139386
Energy: 0.6175622913173168
Energy: 0.6277624174964938
Energy: 0.5755788488059251
Energy: 0.6195839166812949
Energy: 0.6219476141382502
Energy: 0.6184095588878273
Energy: 0.5650929959374835
Energy: 0.5751403692771561
Energy: 0.6197866717091708
Energy: 0.6350782224980113
Energy: 0.572019141116433
Energy: 0.5285746927114261
Energy: 0.545890601713353
Energy: 0.624733561439608
Energy: 0.5740579732861418
Energy: 0.5640377986524191
Energy: 0.5534918097907089
Energy: 0.6109358533224204
Energy: 0.6245047064353577
Energy: 0.5773350089150947
Energy: 0.5996830333646521
Energy: 0.5494614175874434
Energy: 0.5835278092430879
Energy: 0.6406120153553991
Energy: 0.5756915101285601
Energy: 0.5990353250536475
Energy: 0.551449231533967
Energy: 0.5615752661440185
Energy: 0.5707813885509435
Energy: 0.6249351312973422
Energy: 0.5522092471161796
Energy: 0.5503681279004229
Energy: 0.5747716991240165
Energy: 0.5349234384920496
Energy: 0.5320420072653931
Energy: 0.5570450859720248
Energy: 0.6087807963702815
Energy: 0.5497692623091013
Energy: 0.5632566819158971
Energy: 0.5692903135528762
Energy: 0.5473343018632378
Energy: 0.5659905738073493
Energy: 0.5641853663267815
Energy: 0.6445311931463577
Energy: 0.559052119475349
Energy: 0.4988070552243646
Energy: 0.5535598400223204
Energy: 0.5514352202862873
Energy: 0.661281415633062
Energy: 0.6893498734786115
Energy: 0.6068253344349848
Energy: 0.648835899944315
Energy: 0.6359920736989172
Energy: 0.6320720259777581
Energy: 0.5788888025128126
Energy: 0.5971163369717949
Energy: 0.572156210928496
Energy: 0.6366202972656065
Energy: 0.6324444709351824
Energy: 0.5554304111837657
Energy: 0.595904364370345
Energy: 0.6130672650875751
Energy: 0.6499930385062584
Energy: 0.49906442254600736
Energy: 0.5004886611050159
Energy: 0.4998631620778176
Energy: 0.6100458992339043
Energy: 0.5971115585423823
Energy: 0.6178755402520162
Energy: 0.545210967971129
Energy: 0.5957248738600774
Energy: 0.6181743632307724
Energy: 0.5973117074572978
Energy: 0.5906837390651763
Energy: 0.6272170561758543
Energy: 0.6050864489485324
Energy: 0.6066167673913004
Energy: 0.5906075180613414
Energy: 0.641931412782565

minimum gb energy = 0.49724582820565466 eV
minimum distance =  2.62791063158663 Angstroms
sigma value = 75


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

Energy: 0.9701050365738276
Energy: 0.5900585935978017
Energy: 0.5784592137577189
Energy: 0.5790311409719133
Energy: 0.5810047903213306
Energy: 0.5888864636221691
Energy: 0.5903724986018248
Energy: 0.5855580990850817
Energy: 0.5895617292636524
Energy: 0.5650193384796273
Energy: 0.6419754182065031
Energy: 0.5927805541901471
Energy: 0.574511737514996
Energy: 0.5771318520225993
Energy: 0.5688649533040218
Energy: 0.6108271673975817
Energy: 0.6040530913266943
Energy: 0.6143642636819387
Energy: 0.6179946313501242
Energy: 0.5818794760730598
Energy: 0.6576142472598169
Energy: 0.6595438293257332
Energy: 0.703418699487153
Energy: 0.5834201451389647
Energy: 0.56842843489418
Energy: 0.5875326216439262
Energy: 0.5592719433945753
Energy: 0.7049492023040616
Energy: 0.5937171033343207
Energy: 0.5687017828866312
Energy: 0.6001468562371514
Energy: 0.5964938834840897
Energy: 0.6126801385903667
Energy: 0.5936669089890058
Energy: 0.5828284477150834
Energy: 0.6014841558521666
Energy: 0.6111387264936473
Energy: 0.5948137461645621
Energy: 0.6196716308483587
Energy: 0.5681806295466545
Energy: 0.5994581723927898
Energy: 0.591925322413956
Energy: 0.5794284921253796
Energy: 0.6148163989792005
Energy: 0.5722701260962916
Energy: 0.5911837678201002
Energy: 0.5768167859286782
Energy: 0.6537517511848154
Energy: 0.5970720352306382
Energy: 0.5747970830959307
Energy: 0.5789554519657186
Energy: 0.5815387718330621
Energy: 0.5881955676492497
Energy: 0.5700367539234871
Energy: 0.5762529138627092
Energy: 0.5719136010766518
Energy: 0.5811246742002071
Energy: 0.5852056722874226
Energy: 0.5916772921677956
Energy: 0.5813240913906648
Energy: 0.5827478509868497
Energy: 0.6177448525394132
Energy: 0.5961840573382852
Energy: 0.5951567567645163
Energy: 0.5755551778855357
Energy: 0.5757466336627836
Energy: 0.6202189739850857
Energy: 0.5876972685351692
Energy: 0.5878308137545117
Energy: 0.5844236904670737
Energy: 0.5688074684648068
Energy: 0.6181966257703646
Energy: 0.6592846846579482
Energy: 0.7338581956061977
Energy: 0.6021690107104307
Energy: 0.6042779630359879
Energy: 0.6356932821518234
Energy: 0.5595362802068796
Energy: 0.7345007653283299
Energy: 0.5987798825396462
Energy: 0.5801133925197072
Energy: 0.6020432391676611
Energy: 0.6312087894876689
Energy: 0.5920703545490241
Energy: 0.6069302463511762
Energy: 0.5795942133109646
Energy: 0.6077249546360411
Energy: 0.5891103314842672
Energy: 0.5888406678137881
Energy: 0.6059290963855566
Energy: 0.6027196875909449
Energy: 0.5895574233390457
Energy: 0.5734696679429483
Energy: 0.6659536420325693
Energy: 0.6165632434932028
Energy: 0.5859276989329106
Energy: 0.5857867566505484
Energy: 0.5877485411373835
Energy: 0.5792919198056777
Energy: 0.6036179088708582
Energy: 0.5967309983380688
Energy: 0.571854374208757
Energy: 0.588110237144349
Energy: 0.5992219083235377
Energy: 0.6016752859986417
Energy: 0.5988252588957323
Energy: 0.5755628435106759
Energy: 0.5901318495043292
Energy: 0.6107008721246601
Energy: 0.6060251270980598
Energy: 0.6043690519502193
Energy: 0.5924221013682672
Energy: 0.6508220323656607
Energy: 0.5975349923771668
Energy: 0.6051452779802617
Energy: 0.5890330458258058
Energy: 0.5897758659241505
Energy: 0.6018235681848727
Energy: 0.6015186403327949
Energy: 0.5972850574018288
Energy: 0.6084225557692133
Energy: 0.6040576182502558
Energy: 0.661112382981864
Energy: 0.7514191845847493
Energy: 0.636490894214108
Energy: 0.598435453470868
Energy: 0.5961284701048963
Energy: 0.6387086721745303
Energy: 0.6560447428495109
Energy: 0.6411929137081279
Energy: 0.6197013564882102
Energy: 0.5945176363424375
Energy: 0.6073566570903834
Energy: 0.6057113294940629
Energy: 0.6123815795809078
Energy: 0.6150394578790178
Energy: 0.5984904563007979
Energy: 0.6454823162708363
Energy: 0.6068537491987114
Energy: 0.6150671290255489
Energy: 0.6295665101998027
Energy: 0.6000157187902287
Energy: 0.5896337089106877
Energy: 0.5779988335734689
Energy: 0.6739852856874439
Energy: 0.6105221969207454
Energy: 0.5888328719634011
Energy: 0.5853711641392356
Energy: 0.5747259390332266
Energy: 0.683522726623014
Energy: 0.5939981475520398
Energy: 0.5891542094799024
Energy: 0.5959767891749477
Energy: 0.5894646279411565
Energy: 0.5870818790299583
Energy: 0.5983453659170755
Energy: 0.5992104338644014
Energy: 0.5813884651572754
Energy: 0.5917083231483504
Energy: 0.5884042522575776
Energy: 0.606758424599973
Energy: 0.5751122614136334
Energy: 0.6040199164924088
Energy: 0.6381843030448126
Energy: 0.5935003627002263
Energy: 0.5969128250283372
Energy: 0.5794909391191703
Energy: 0.6215290483551764
Energy: 0.6061834696668238
Energy: 0.5946063886025883
Energy: 0.594889081736659
Energy: 0.5800652075079911
Energy: 0.6231318206848246
Energy: 0.6561621301725334
Energy: 0.6004963238699143
Energy: 0.635575950021482
Energy: 0.5799851598940461
Energy: 0.6477905103449191
Energy: 0.6490933879166522
Energy: 0.5591737662850198
Energy: 0.6006786889240592
Energy: 0.6202788150329964
Energy: 0.598329782880078
Energy: 0.6066847266602543
Energy: 0.5815617464724648
Energy: 0.6074532747459247
Energy: 0.6158235610049374
Energy: 0.6098303574529373
Energy: 0.6121687340334978
Energy: 0.5846359433514111
Energy: 0.5854620781103881
Energy: 0.5927494509531198
Energy: 0.577624510482907
Energy: 0.5915021237095027
Energy: 0.574911080225408
Energy: 0.577323451801413
Energy: 0.5852666234063213
Energy: 0.5751942746623605
Energy: 0.590914148738679
Energy: 0.5794093111709026
Energy: 0.5910077011848073
Energy: 0.5841713299775451
Energy: 0.5867045347286414
Energy: 0.6187861258940331
Energy: 0.5895854116320987
Energy: 0.5670122639348036
Energy: 0.580428419993171
Energy: 0.5799858446674985
Energy: 0.6052440209426807
Energy: 0.5929266913126041
Energy: 0.5902652637735866
Energy: 0.584648901522428
Energy: 0.5787240183848018
Energy: 0.623968195544214
Energy: 0.6146785816745706
Energy: 0.5920699986455609
Energy: 0.5875224343390635
Energy: 0.589071292684658
Energy: 0.6024255853068661
Energy: 0.6154625627477766
Energy: 0.5843394840125345
Energy: 0.586262756410882
Energy: 0.622100420474031
Energy: 0.6124148978191981
Energy: 0.6464122731414976
Energy: 0.5595266434588462
Energy: 0.5854481290912584
Energy: 0.6328094181129205
Energy: 0.6341154247069087
Energy: 0.6524201020848421
Energy: 0.5826121986015729
Energy: 0.6189459185750169
Energy: 0.6108456426827036
Energy: 0.5900162761343809
Energy: 0.6211180657421478
Energy: 0.5770964293760288
Energy: 0.5917721840059585
Energy: 0.6043711955228975
Energy: 0.5910464933454234
Energy: 0.638617560092845
Energy: 0.6532846794820442
Energy: 0.5921450424109589
Energy: 0.5944447964712597
Energy: 0.6727438576231173
Energy: 0.5842113361792807
Energy: 0.574057481515114
Energy: 0.5911005614743875
Energy: 0.5983305636125394
Energy: 0.6513315698383844
Energy: 0.585444424623797
Energy: 0.6036023510130962
Energy: 0.6003917795544773
Energy: 0.588692423835393
Energy: 0.57520500292889
Energy: 0.6145784469829744
Energy: 0.5970452263734523
Energy: 0.611610200767296
Energy: 0.6087664291289966
Energy: 0.5885083476991465
Energy: 0.6243741636868331
Energy: 0.6471157032406336
Energy: 0.5921011399477519
Energy: 0.5897390527218176
Energy: 0.578497008223981
Energy: 0.6189242812042595
Energy: 0.6162716523350014
Energy: 0.5897090236727643
Energy: 0.6077180962766858
Energy: 0.580421695354355
Energy: 0.6557611452270822
Energy: 0.6413720778005527
Energy: 0.5593972954824549
Energy: 0.5739363095160951
Energy: 0.5945957004252806
Energy: 0.6091783452372643
Energy: 0.6373798585102296
Energy: 0.559717935056527
Energy: 0.5666722758851955
Energy: 0.6071695685604844
Energy: 0.6173548768966921
Energy: 0.6073695849354636
Energy: 0.5821964971868367
Energy: 0.604939618011411
Energy: 0.5792833983576481
Energy: 0.5914136393475653
Energy: 0.6097446423749855
Energy: 0.5762215883292041
Energy: 0.5964641491255689
Energy: 0.6083251832586615
Energy: 0.6076019946363529
Energy: 0.6018259365396128
Energy: 0.5974359000093787
Energy: 0.5801018698770637
Energy: 0.5772100777385688
Energy: 0.5924413287649928
Energy: 0.580775749327758
Energy: 0.5926397982637358
Energy: 0.5724421000958242
Energy: 0.5858945643352348
Energy: 0.5912430475116401
Energy: 0.607054879602595
Energy: 0.6047248380069719
Energy: 0.5696903273370474
Energy: 0.5830968838099778
Energy: 0.5770814398361044
Energy: 0.6501902408982004
Energy: 0.5912954710714861
Energy: 0.5849169559400315
Energy: 0.5929272203183814
Energy: 0.5856306196710531
Energy: 0.6219025708541298
Energy: 0.6596770706944586
Energy: 0.7084802361848507
Energy: 0.5818598254080712
Energy: 0.568722717079082
Energy: 0.6338192376043965
Energy: 0.5601999918791064
Energy: 0.7074576772066208
Energy: 0.6026203283375963
Energy: 0.5805108147967525
Energy: 0.6353391177318025
Energy: 0.6511078545815456
Energy: 0.5939972793368608
Energy: 0.6056308697693995
Energy: 0.5824070295779517
Energy: 0.5896081957843464
Energy: 0.6161740612082541
Energy: 0.5935429627336855
Energy: 0.5963243080911533
Energy: 0.5683539905231446
Energy: 0.6030648510734203
Energy: 0.6316721570352956
Energy: 0.5981171140634151
Energy: 0.6188729002268928
Energy: 0.5938698652194385
Energy: 0.5905748630073027
Energy: 0.6195990284250996
Energy: 0.6570939477360878
Energy: 0.6009092928268418
Energy: 0.6137448986239602
Energy: 0.5735424865593473
Energy: 0.5851858615315289
Energy: 0.6021149918659294
Energy: 0.5926539218943402
Energy: 0.5884999586218851
Energy: 0.5738444529119504
Energy: 0.5868740410426166
Energy: 0.6028087964966636
Energy: 0.5967317170099251
Energy: 0.5889375885531397
Energy: 0.5835628827369497
Energy: 0.6430378671916211
Energy: 0.6017947868205643
Energy: 0.6038773559791316
Energy: 0.5830277248246144
Energy: 0.5767282835108316
Energy: 0.6467580840268589
Energy: 0.5949867774472676
Energy: 0.5976847465333471
Energy: 0.590443581023831
Energy: 0.5686220092843179
Energy: 0.6631262456464153
Energy: 0.6595928230995948
Energy: 0.7429990696694264
Energy: 0.5804925191581489
Energy: 0.5837451767692923
Energy: 0.6411933882635533
Energy: 0.6593575792497016
Energy: 0.7327040680418367
Energy: 0.6000943510408765
Energy: 0.5812001975149294
Energy: 0.6150622800450792
Energy: 0.595142763056149
Energy: 0.5941571365607151
Energy: 0.6158827020459647
Energy: 0.5793252747882045
Energy: 0.6176358716776948
Energy: 0.6016971206375473
Energy: 0.5889377368262613
Energy: 0.6181243669369758
Energy: 0.6048188893537852
Energy: 0.5912788392669053
Energy: 0.6068272956411648
Energy: 0.6607607901736173
Energy: 0.6005748053553194
Energy: 0.5947673681251657
Energy: 0.5829458731485565
Energy: 0.5843124119031116
Energy: 0.6663736630118469
Energy: 0.5975800075941865
Energy: 0.5864238370768213
Energy: 0.5796973563023865
Energy: 0.5904744195576721
Energy: 0.5860349928654865
Energy: 0.5990411574730512
Energy: 0.5794970815322857
Energy: 0.5757714901751787
Energy: 0.5874968815195043
Energy: 0.587276685335304
Energy: 0.6077193054927028
Energy: 0.5881350348426161
Energy: 0.5996440367526964
Energy: 0.6446510408286881
Energy: 0.6046934389850437
Energy: 0.5946758054835214
Energy: 0.5964229699795479
Energy: 0.5934988852299145
Energy: 0.6278503006470969
Energy: 0.6059311851759295
Energy: 0.5842659007596505
Energy: 0.5981022834315495
Energy: 0.6028162036219111
Energy: 0.6348900764157173
Energy: 0.6588650948452757
Energy: 0.6436827065719908
Energy: 0.6090983139426606
Energy: 0.5960408543251482
Energy: 0.6523869854909519
Energy: 0.6511825329948326
Energy: 0.6251756984541372
Energy: 0.6118768549530571
Energy: 0.601870369418476
Energy: 0.6065640395821229
Energy: 0.6041151300080688
Energy: 0.6075118784383732
Energy: 0.6069904916416045
Energy: 0.5934410249482406
Energy: 0.6183215953958324
Energy: 0.6049170262610394
Energy: 0.5904738751831773
Energy: 0.5975775831485398
Energy: 0.5962542796656964
Energy: 0.5892200698897595
Energy: 0.5747545860912364
Energy: 0.6686499084737146
Energy: 0.583458514311148
Energy: 0.6019662943879754
Energy: 0.5941721428199018
Energy: 0.5774601688312758
Energy: 0.6753300977408474
Energy: 0.6077442258495537
Energy: 0.5977077287487197
Energy: 0.5900440939643796
Energy: 0.5910084679272907
Energy: 0.5824337102901392
Energy: 0.6003029554160425
Energy: 0.5795095709653221
Energy: 0.5959408370726762
Energy: 0.595489444518165
Energy: 0.5957233131953354
Energy: 0.6028584233897051
Energy: 0.5836824927078176
Energy: 0.6021142862446057
Energy: 0.6535300116060734
Energy: 0.5955509051977126
Energy: 0.603766579967942
Energy: 0.5847549965899773
Energy: 0.6125011444291072
Energy: 0.6073545024081675
Energy: 0.5947124620340264
Energy: 0.6386070288393109
Energy: 0.5796685379872439
Energy: 0.6228588658006762
Energy: 0.6520876507667588
Energy: 0.6030569148452848
Energy: 0.6097090236976068
Energy: 0.5790857693645017
Energy: 0.6475903591062271
Energy: 0.631215307149321
Energy: 0.5593001165473683
Energy: 0.6134023827094011
Energy: 0.6054244555408538
Energy: 0.5971697739679476
Energy: 0.6131776114199784
Energy: 0.5804257145497238
Energy: 0.6113557940778448
Energy: 0.6112346223484508
Energy: 0.5930250113044305
Energy: 0.6148893481323895
Energy: 0.5824287886867856
Energy: 0.5964761749275533
Energy: 0.601786186740155
Energy: 0.57363133471286
Energy: 0.5832388877104704
Energy: 0.5750257186220212
Energy: 0.5988132491195358
Energy: 0.616576361668269
Energy: 0.5712115805294312
Energy: 0.5948276726144229
Energy: 0.5726007225590874
Energy: 0.590640957964303
Energy: 0.6040737546610963
Energy: 0.5762022185851907
Energy: 0.6099513935511381
Energy: 0.59239074788874
Energy: 0.5870370050916575
Energy: 0.6103525646604895
Energy: 0.5764354743726819
Energy: 0.6141928265655164
Energy: 0.5987539435272156
Energy: 0.590597530137439
Energy: 0.6114678315359509
Energy: 0.581006454286373
Energy: 0.6281497160914284
Energy: 0.6092781658226922
Energy: 0.5921095923215614
Energy: 0.5998148407481424
Energy: 0.5868655220066642
Energy: 0.6321330018792188
Energy: 0.6017849115733097
Energy: 0.5843719671511746
Energy: 0.6346759156953033
Energy: 0.6227624003317597
Energy: 0.6341161421579179
Energy: 0.6370981052734542
Energy: 0.5593724809001712
Energy: 0.6048464453432479
Energy: 0.6219738358056642
Energy: 0.630508564583658
Energy: 0.6222190959299959
Energy: 0.5821863223865699
Energy: 0.5938618550010821
Energy: 0.5874344818300082
Energy: 0.5917489878821465
Energy: 0.6302560758407172
Energy: 0.5756965150541131
Energy: 0.5895535690698895
Energy: 0.590273927980677
Energy: 0.6018081987805766
Energy: 0.5959894052208913
Energy: 0.588559606263052
Energy: 0.5843632889160053
Energy: 0.5786194838659349
Energy: 0.6592064496762747
Energy: 0.5877547000981457
Energy: 0.5727088388227071
Energy: 0.5738487328742217
Energy: 0.5826434297362053
Energy: 0.662152443225353
Energy: 0.593208529479319
Energy: 0.5995246884658447
Energy: 0.5635843286790948
Energy: 0.5845348445209828
Energy: 0.5743257946091413
Energy: 0.6020445011366109
Energy: 0.5930081574722231
Energy: 0.5686948953036671
Energy: 0.6121837606221405
Energy: 0.5790550495715244
Energy: 0.5913771990111094
Energy: 0.630445292217048
Energy: 0.5922304667900791
Energy: 0.5869410653295433
Energy: 0.571570467696201
Energy: 0.6137401858907338
Energy: 0.6010110273621139
Energy: 0.5894263465894332
Energy: 0.6154890274011627
Energy: 0.5870062946296072
Energy: 0.5978299837375203
Energy: 0.6232370739093321
Energy: 0.5596026344144357
Energy: 0.6176263535599656
Energy: 0.5992603453235936
Energy: 0.5746179615308791
Energy: 0.6210214315176267
Energy: 0.5595208734397269
Energy: 0.6108743045045343
Energy: 0.5945696196224776
Energy: 0.6416049050016389
Energy: 0.6216831221573645
Energy: 0.5797293791830053
Energy: 0.623200686139846
Energy: 0.5832588370449168
Energy: 0.5919179240229475
Energy: 0.6005256077333495
Energy: 0.5692515856023288
Energy: 0.5953392532948216
Energy: 0.573971454116791
Energy: 0.609854296127474

minimum gb energy = 0.5591737662850198 eV
minimum distance =  2.572987721202 Angstroms
sigma value = 105


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

Energy: 0.9436199675186763
Energy: 0.5857084401336968
Energy: 0.5931667989000298
Energy: 0.5846246872416215
Energy: 0.593182642769445
Energy: 0.5670627924466853
Energy: 0.5858634133093835
Energy: 0.5740199163231702
Energy: 0.5847414598169474
Energy: 0.593596530912711
Energy: 0.5733711250587054
Energy: 0.5699263578993191
Energy: 0.5766468303986696
Energy: 0.5739975904304461
Energy: 0.5709900464402584
Energy: 0.6074659552187981
Energy: 0.5701371348442662
Energy: 0.5741643242862005
Energy: 0.5744993076256573
Energy: 0.5707474174632113
Energy: 0.5748712404157207
Energy: 0.619705061203343
Energy: 0.6177105469068848
Energy: 0.5758517532611194
Energy: 0.5728428864390387
Energy: 0.5751075916259485
Energy: 0.5689558932739288
Energy: 0.6182512750052575
Energy: 0.5757098219956773
Energy: 0.5708165522268065
Energy: 0.574844856499654
Energy: 0.5737816896989979
Energy: 0.57009502972385
Energy: 0.5761427822608683
Energy: 0.5790551780812518
Energy: 0.5742228685332889
Energy: 0.5736847273866283
Energy: 0.5740718878424897
Energy: 0.5761100343045101
Energy: 0.5714836038548962
Energy: 0.5747829888785425
Energy: 0.588954679262812
Energy: 0.5754121891865056
Energy: 0.5725150569037143
Energy: 0.5841678797067797
Energy: 0.5748265134756472
Energy: 0.5895304482832455
Energy: 0.5750566778521133
Energy: 0.573373695044633
Energy: 0.5839358477932137
Energy: 0.5697329389582907
Energy: 0.5678637047484775
Energy: 0.5792836932762851
Energy: 0.5812514939198855
Energy: 0.5858537150888441
Energy: 0.6000427453766185
Energy: 0.5783215149735492
Energy: 0.5783245059023989
Energy: 0.5866260580256151
Energy: 0.5857577726931634
Energy: 0.5718638231740304
Energy: 0.5707449475050236
Energy: 0.5704587513945817
Energy: 0.5819223367799535
Energy: 0.5802381288146149
Energy: 0.6107742438805442
Energy: 0.6024101835567085
Energy: 0.5707644310134888
Energy: 0.5805706766232411
Energy: 0.5802151073409356
Energy: 0.5704318585425556
Energy: 0.5706886545054977
Energy: 0.5969827947664906
Energy: 0.5975873347371533
Energy: 0.5781454259340174
Energy: 0.6331652391269339
Energy: 0.5708157552170241
Energy: 0.6128262625953197
Energy: 0.5972021292586955
Energy: 0.589497580442744
Energy: 0.6058449645240258
Energy: 0.6022250773424159
Energy: 0.5910795909274119
Energy: 0.5709676676537703
Energy: 0.5704118706936492
Energy: 0.5696097306151019
Energy: 0.5982321380493355
Energy: 0.5927594870117686
Energy: 0.5710921096994684
Energy: 0.5701094032387584
Energy: 0.6018381689165934
Energy: 0.5783826680754093
Energy: 0.5712369474919414
Energy: 0.569914894735143
Energy: 0.573636285944897
Energy: 0.5724327020907687
Energy: 0.5785029396345374
Energy: 0.5714814672994821
Energy: 0.569868703459237
Energy: 0.5740371232065286
Energy: 0.5721456457895102
Energy: 0.5688743874241846
Energy: 0.567334457986953
Energy: 0.5736749694601871
Energy: 0.583931791710828
Energy: 0.5721327713813782
Energy: 0.5712823011808876
Energy: 0.5706527613416391
Energy: 0.5716642789416942
Energy: 0.5744550370407395
Energy: 0.5793806199310181
Energy: 0.5910497357498413
Energy: 0.5811875858386308
Energy: 0.5710107729849283
Energy: 0.5906601470735803
Energy: 0.5794784522066857
Energy: 0.5902194099472076
Energy: 0.5790002615062375
Energy: 0.5714294937539426
Energy: 0.5788448615019022
Energy: 0.5668311132503442
Energy: 0.5695914629292796
Energy: 0.5716384006207533
Energy: 0.5983043720331319
Energy: 0.5810433388410415
Energy: 0.5709857105628056
Energy: 0.569614220177853
Energy: 0.5719352904905903
Energy: 0.6146352666866958
Energy: 0.570757285830573
Energy: 0.5710185937798002
Energy: 0.5644413853222846
Energy: 0.5810404304200344
Energy: 0.5780156229526254
Energy: 0.5697625378003517
Energy: 0.611801814255787
Energy: 0.5644181901833858
Energy: 0.5796777225922848
Energy: 0.5752964735798368
Energy: 0.5696841967985242
Energy: 0.5698251449934199
Energy: 0.6071165188721344
Energy: 0.5686243559662137
Energy: 0.571841989560388
Energy: 0.5713912522173641
Energy: 0.6053601107901637
Energy: 0.5783176741824195
Energy: 0.5687972661894886
Energy: 0.5721781251919559
Energy: 0.5713398634920871
Energy: 0.6011552046306368
Energy: 0.5969398418167701
Energy: 0.5715020722740256
Energy: 0.5683297729512647
Energy: 0.6187638821679973
Energy: 0.5653697085907102
Energy: 0.5970442239078089
Energy: 0.5714124517791062
Energy: 0.5902356763953384
Energy: 0.6182564080626535
Energy: 0.5944262542376209
Energy: 0.5709301800422573
Energy: 0.578633713260615
Energy: 0.5880351250383895
Energy: 0.5796982231762497
Energy: 0.5938104577197049
Energy: 0.5710674839473846
Energy: 0.5801405812631261
Energy: 0.5811068988431788
Energy: 0.5772123907030663
Energy: 0.5857582297059075
Energy: 0.5914606539112369
Energy: 0.6329352105656953
Energy: 0.5859514921448536
Energy: 0.581701733073921
Energy: 0.5936287235763835
Energy: 0.6385498232256904
Energy: 0.6025696100453116
Energy: 0.5859333131812963
Energy: 0.5823109256818662
Energy: 0.5742712009934273
Energy: 0.6015514005660624
Energy: 0.5723709697002023
Energy: 0.5790843849876335
Energy: 0.5734700687412161
Energy: 0.5745669973146412
Energy: 0.6025691587081901
Energy: 0.5724217958370283
Energy: 0.5856575019479399
Energy: 0.5730795002503453
Energy: 0.5751440947617464
Energy: 0.5803967770682988
Energy: 0.575134556050445
Energy: 0.5689805923858869
Energy: 0.5756593023175898
Energy: 0.57584544257266
Energy: 0.581521063658467
Energy: 0.5749871977537296
Energy: 0.5688927735072365
Energy: 0.5757562878054091
Energy: 0.5756971689382073
Energy: 0.5643561460078718
Energy: 0.6023916364336208
Energy: 0.5818757568864856
Energy: 0.5759347995402304
Energy: 0.6052244726828125
Energy: 0.5717725792575701
Energy: 0.5753543911919715
Energy: 0.5939067219626929
Energy: 0.5756340280643117
Energy: 0.5729460615771221
Energy: 0.5852429984174898
Energy: 0.5746364456999895
Energy: 0.5800955836827377
Energy: 0.5745256490116264
Energy: 0.5733433285724436
Energy: 0.578455858371162
Energy: 0.5749596360613509
Energy: 0.6022777330670122
Energy: 0.5743057110738514
Energy: 0.582256469503019
Energy: 0.5855960344625026
Energy: 0.618129126174127
Energy: 0.5946960175159813
Energy: 0.5850171299362839
Energy: 0.5813991016065466
Energy: 0.5857922434390748
Energy: 0.6174443783233078
Energy: 0.621687309247746
Energy: 0.5849474409167863
Energy: 0.577434498381201
Energy: 0.5885770483885807
Energy: 0.5795594926758665
Energy: 0.5709666533854558
Energy: 0.5848883732673864
Energy: 0.5800243552485594
Energy: 0.5902869671015305
Energy: 0.5784319412192466
Energy: 0.5709175547579224
Energy: 0.5854229090564579
Energy: 0.6249692515759456
Energy: 0.5721345897113013
Energy: 0.5704819414959953
Energy: 0.5967246159544826
Energy: 0.5935237810456743
Energy: 0.599890805854867
Energy: 0.5660221307531221
Energy: 0.5704141976939461
Energy: 0.5967248773747679
Energy: 0.5792776222151141
Energy: 0.5716402384720509
Energy: 0.5716670955807831
Energy: 0.5697051074324031
Energy: 0.5780908844055473
Energy: 0.585255439356685
Energy: 0.571617086509522
Energy: 0.5712494940514596
Energy: 0.5698307611506838
Energy: 0.6072730885159532
Energy: 0.5704892458950901
Energy: 0.5696343462855158
Energy: 0.5748127749676777
Energy: 0.5809009581611098
Energy: 0.578776952049549
Energy: 0.5705886080945591
Energy: 0.5701167599487924
Energy: 0.5760172400865541
Energy: 0.580909419114578
Energy: 0.5795941845496968
Energy: 0.5711102410431422
Energy: 0.5820786787221373
Energy: 0.6029861216583281
Energy: 0.5734128454581389
Energy: 0.571309175929685
Energy: 0.5960921553999627
Energy: 0.5794852179734912
Energy: 0.6026402662248196
Energy: 0.5733572840655622
Energy: 0.5743510381242349
Energy: 0.595698644889096
Energy: 0.5903405527290193
Energy: 0.5715101861641326
Energy: 0.5804589210410127
Energy: 0.5903449305244983
Energy: 0.5800457680597715
Energy: 0.5900172142588698
Energy: 0.570971688074269
Energy: 0.5859697856517074
Energy: 0.5915333094921377
Energy: 0.5789940624285983
Energy: 0.5869573370955121
Energy: 0.570756905207406
Energy: 0.5653353824463366
Energy: 0.5700058375005804
Energy: 0.5711021000088045
Energy: 0.572278418174508
Energy: 0.570930549043639
Energy: 0.5651183413665869
Energy: 0.5699928558927987
Energy: 0.570947135058081
Energy: 0.5715842017644037
Energy: 0.5699169123865896
Energy: 0.5689906486958278
Energy: 0.5653432643118291
Energy: 0.6013656801510654
Energy: 0.5716180875466336
Energy: 0.5700553687136793
Energy: 0.5692415577904243
Energy: 0.5835637004453441
Energy: 0.6018696259243954
Energy: 0.5696865506333849
Energy: 0.5708757224103033
Energy: 0.5923933219643537
Energy: 0.6119315946017958
Energy: 0.5683395302791461
Energy: 0.5698578755356929
Energy: 0.5709926865916858
Energy: 0.590781011528604
Energy: 0.5774477451751512
Energy: 0.5906302422507789
Energy: 0.5895133357432781
Energy: 0.5653989510846094
Energy: 0.6183107982400231
Energy: 0.5708416865183714
Energy: 0.587036286037345
Energy: 0.5970522631595431
Energy: 0.6512196211790963
Energy: 0.6183806025928464
Energy: 0.5709113573128959
Energy: 0.5684181560986351
Energy: 0.5807994684263703
Energy: 0.5808907498143031
Energy: 0.5705222228298084
Energy: 0.5702982437983886
Energy: 0.5791686853196157
Energy: 0.5808462669763612
Energy: 0.6112969513557673
Energy: 0.5702995912247495
Energy: 0.5707755738407191
Energy: 0.5721701956224707
Energy: 0.5773200301963761
Energy: 0.580893381708227
Energy: 0.5779038788683546
Energy: 0.5645139698819845
Energy: 0.5652993333399695
Energy: 0.5781807418181343
Energy: 0.586306137576579
Energy: 0.5781674248014572
Energy: 0.5646676748593463
Energy: 0.5657482565925599
Energy: 0.5846056144831636
Energy: 0.5733004691338894
Energy: 0.5745258319733281
Energy: 0.5698088790740395
Energy: 0.571493150712006
Energy: 0.5844277984825687
Energy: 0.5727354700915639
Energy: 0.5747642859648662
Energy: 0.5699560675390044
Energy: 0.5721137502415635
Energy: 0.5680766816548394
Energy: 0.5753651922523807
Energy: 0.5740932118500582
Energy: 0.5736502154352824
Energy: 0.6078309971957837
Energy: 0.6017151619520552
Energy: 0.5754851377778849
Energy: 0.5699807409848064
Energy: 0.5734782011884539
Energy: 0.5753053645018037
Energy: 0.5690162413084452
Energy: 0.576260456723026
Energy: 0.6117148776234392
Energy: 0.6311785531307103
Energy: 0.5760420653849869
Energy: 0.5692601295201685
Energy: 0.5764687900545005
Energy: 0.6108719159338477
Energy: 0.6167992602028365
Energy: 0.5753512121353221
Energy: 0.5719703624784008
Energy: 0.5753528428048877
Energy: 0.5740614841771419
Energy: 0.5701613152022946
Energy: 0.5723040896526025
Energy: 0.5758414457392615
Energy: 0.5743867834727302
Energy: 0.5766444631608688
Energy: 0.5700679433249232
Energy: 0.5740407826386187
Energy: 0.5789523410202211
Energy: 0.5847464448215153
Energy: 0.5903755028305621
Energy: 0.5855364165739471
Energy: 0.5684962088183091
Energy: 0.57802068688533
Energy: 0.5816521025822955
Energy: 0.5928902737616609
Energy: 0.5847108961784614
Energy: 0.5682867010845436
Energy: 0.5703336452441464
Energy: 0.5776436100930122
Energy: 0.5800719797136202
Energy: 0.5751798989275364
Energy: 0.5875279874445928
Energy: 0.5701282189888613
Energy: 0.583007904050736
Energy: 0.5800590514445251
Energy: 0.5755836880037706
Energy: 0.5767465838688264
Energy: 0.5970106909972855
Energy: 0.6079107845529447
Energy: 0.6114172953967187
Energy: 0.565538468850921
Energy: 0.5696613063939853
Energy: 0.5709517200569666
Energy: 0.6125451597638235
Energy: 0.5774490696256668
Energy: 0.5657016079269387
Energy: 0.5700262149991312
Energy: 0.6082970627335381
Energy: 0.57212517040516
Energy: 0.5717483482309546
Energy: 0.571065406451065
Energy: 0.6056599077349236
Energy: 0.6084235870731274
Energy: 0.5717911572888856
Energy: 0.5713765149749543
Energy: 0.5795171527731644
Energy: 0.606064667827438
Energy: 0.568500879063539
Energy: 0.571148365741438
Energy: 0.5697250837852098
Energy: 0.5782313833793931
Energy: 0.5895610887906577
Energy: 0.5949107428117051
Energy: 0.5708041151356895
Energy: 0.5699858171142954
Energy: 0.5851910211507396
Energy: 0.589395840589169
Energy: 0.5680863897143201
Energy: 0.5846674799733691
Energy: 0.57161954919908
Energy: 0.6051889413612337
Energy: 0.5973434652331016
Energy: 0.5675933397861663
Energy: 0.5699252557450459
Energy: 0.5724466436888467
Energy: 0.6039436175518151
Energy: 0.6006856049250502
Energy: 0.5699866461537895
Energy: 0.5795818649396165
Energy: 0.6159588550974991
Energy: 0.5802651597617672
Energy: 0.5714674663710378
Energy: 0.5803066701305384
Energy: 0.5794818613899765
Energy: 0.6167796457341671
Energy: 0.5797454951131059
Energy: 0.5714704006322743
Energy: 0.5704844974934277
Energy: 0.5711506427580689
Energy: 0.598016178224789
Energy: 0.6058110812586807
Energy: 0.5648242454580911
Energy: 0.5704243760292387
Energy: 0.5795704970786273
Energy: 0.5971848013464028
Energy: 0.5720376623303809
Energy: 0.6053259792719229
Energy: 0.5715078154219526
Energy: 0.6016976789879158
Energy: 0.572850465620205
Energy: 0.5702793639056822
Energy: 0.5698580966361385
Energy: 0.5809099621965176
Energy: 0.6049661201030382
Energy: 0.5725030281599203
Energy: 0.5704235805210918
Energy: 0.5651511914504863
Energy: 0.589703484537106
Energy: 0.5829406744783434
Energy: 0.5697657355462632
Energy: 0.571833860943044
Energy: 0.6107598081822018
Energy: 0.5799291248359072
Energy: 0.570380417004837
Energy: 0.5699683968607362
Energy: 0.5721116528625775
Energy: 0.6092685241340873
Energy: 0.5707922306257233
Energy: 0.5693191071246393
Energy: 0.5977216085903734
Energy: 0.5652217268683065
Energy: 0.6180127183890392
Energy: 0.5726160518087084
Energy: 0.5680778274779208
Energy: 0.5971398099730617
Energy: 0.5651272476568274
Energy: 0.6188198548135192
Energy: 0.5707871577011082
Energy: 0.570494716920405
Energy: 0.5809112618884849
Energy: 0.6157234730442268
Energy: 0.5707627941105569
Energy: 0.5712729041952551
Energy: 0.5766284425712818
Energy: 0.5807409404126583
Energy: 0.6152874665912603
Energy: 0.5711868937276716
Energy: 0.6130334741891348
Energy: 0.5730583107536089
Energy: 0.5750901083269769
Energy: 0.5928382446688938
Energy: 0.5708092774210445
Energy: 0.5698874292051707
Energy: 0.5731177352471557
Energy: 0.591814307040564
Energy: 0.5778841068706155
Energy: 0.6018380085913165

minimum gb energy = 0.5643561460078718 eV
minimum distance =  2.6263246540837 Angstroms
sigma value = 165


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

Energy: 0.7538073098111602
Energy: 0.5763102479894566
Energy: 0.576193842066749
Energy: 0.5786941012990723
Energy: 0.5436447250902428
Energy: 0.7191485933456934
Energy: 0.5772808016450081
Energy: 0.5888963559094348
Energy: 0.5842338013921888
Energy: 0.5658044958396563
Energy: 0.5818124842872764
Energy: 0.5973562569760891
Energy: 0.5788551244321473
Energy: 0.5700796055727156
Energy: 0.5584605828030516
Energy: 0.5687668600952508
Energy: 0.5584768476404485
Energy: 0.5801036585313255
Energy: 0.5775747316585121
Energy: 0.6161768284605282
Energy: 0.5752641112872494
Energy: 0.5894708814975386
Energy: 0.5808249488238024
Energy: 0.5807222558692648
Energy: 0.556931962645423
Energy: 0.5547624713525136
Energy: 0.569192327175233
Energy: 0.5807092781640887
Energy: 0.5791828980975133
Energy: 0.5832051277142365
Energy: 0.5895443851164273
Energy: 0.5877438926519153
Energy: 0.5799451707774708
Energy: 0.5809725908595879
Energy: 0.5735410744831692
Energy: 0.5541480195739342
Energy: 0.5781920026176027
Energy: 0.5680804994621258
Energy: 0.5608502944939838
Energy: 0.5776097849353548
Energy: 0.6084458207855463
Energy: 0.5698468689942309
Energy: 0.5798800421101049
Energy: 0.5811624140023476
Energy: 0.5568646243042447
Energy: 0.575198198963399
Energy: 0.5588362014811282
Energy: 0.5751964490905492
Energy: 0.577879793322716
Energy: 0.5858552174410433
Energy: 0.5933775538473545
Energy: 0.6039422270746947
Energy: 0.6026615071591523
Energy: 0.5669774763401566
Energy: 0.5969977040310016
Energy: 0.5935622035351849
Energy: 0.5599875879045828
Energy: 0.5631159519528692
Energy: 0.5668313424110608
Energy: 0.5937988753142228
Energy: 0.5831894490695059
Energy: 0.589424548872654
Energy: 0.5904158186977166
Energy: 0.5991469028747954
Energy: 0.5952545679103578
Energy: 0.6010269918662552
Energy: 0.579266870445783
Energy: 0.5932902167097536
Energy: 0.6017229385620545
Energy: 0.5664427638195307
Energy: 0.5427366832619016
Energy: 0.5726564558642097
Energy: 0.5804275948082385
Energy: 0.5890582771794918
Energy: 0.5664686210660993
Energy: 0.5436239982263946
Energy: 0.5664439662088147
Energy: 0.5845856713512372
Energy: 0.5895613057383534
Energy: 0.5441165017228613
Energy: 0.5455554229802392
Energy: 0.5947632219820171
Energy: 0.594937771184143
Energy: 0.584978068074611
Energy: 0.5532246849154232
Energy: 0.5443148960768486
Energy: 0.5574833059033276
Energy: 0.6036018966543216
Energy: 0.580562804968168
Energy: 0.542109453781085
Energy: 0.5763364220888404
Energy: 0.5663563396397183
Energy: 0.5836669269270164
Energy: 0.5865155097866609
Energy: 0.5675210583350555
Energy: 0.5754484658536347
Energy: 0.5956117939256484
Energy: 0.5802070327458666
Energy: 0.5830348172877138
Energy: 0.5922376428485688
Energy: 0.5795957199680751
Energy: 0.5823540023954937
Energy: 0.5760380528921534
Energy: 0.6050919061374768
Energy: 0.5751909692698567
Energy: 0.5775577260886474
Energy: 0.5982312508065072
Energy: 0.5813405874444934
Energy: 0.5990254967821939
Energy: 0.5740230236993055
Energy: 0.6045278490990585
Energy: 0.6130370628713229
Energy: 0.5768672859774435
Energy: 0.5763688223955304
Energy: 0.5919115302397359
Energy: 0.580109552162547
Energy: 0.56387576794922
Energy: 0.5820451766758562
Energy: 0.5807155202689481
Energy: 0.5878344704098774
Energy: 0.5703921367138365
Energy: 0.5577860828281787
Energy: 0.5525732123106037
Energy: 0.5570491981673834
Energy: 0.5843403405800894
Energy: 0.5942849092298221
Energy: 0.5570954658575775
Energy: 0.5812413811645466
Energy: 0.589318614107606
Energy: 0.5857024265849213
Energy: 0.5762231921361075
Energy: 0.5714052920647728
Energy: 0.5857355561376382
Energy: 0.5740899252448485
Energy: 0.55243096826842
Energy: 0.5599297998234379
Energy: 0.5709068469973984
Energy: 0.5945679095786166
Energy: 0.5745453398559132
Energy: 0.5824775031614102
Energy: 0.5680434143331489
Energy: 0.5794106811931898
Energy: 0.5895559151515191
Energy: 0.5975627952902262
Energy: 0.5661867714644248
Energy: 0.5695425356633232
Energy: 0.5538130257576745
Energy: 0.5855082717820681
Energy: 0.5913111078647694
Energy: 0.5981726647753192

minimum gb energy = 0.542109453781085 eV
minimum distance =  2.65410589829609 Angstroms
sigma value = 41


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

Energy: 0.7523510303312078
Energy: 0.4990673913353105
Energy: 0.5222459452731116
Energy: 0.5047366881477325
Energy: 0.4940004172653736
Energy: 0.4902834200056556
Energy: 0.501251742175413
Energy: 0.5264730406170561
Energy: 0.5155332403232267
Energy: 0.5274069540609678
Energy: 0.5185811121867475
Energy: 0.5349438922740135
Energy: 0.5146695310510168
Energy: 0.5181917421146868
Energy: 0.4919315113496131
Energy: 0.4915976751113043
Energy: 0.503599738847739
Energy: 0.5230823087389137
Energy: 0.5253709540437121
Energy: 0.5319637525336212
Energy: 0.5134591569484152
Energy: 0.5323916807507943
Energy: 0.5004473814221149
Energy: 0.516300074598702
Energy: 0.5353499511950955
Energy: 0.48804377443244323
Energy: 0.533375642032804
Energy: 0.535965126022542
Energy: 0.5431724728189978
Energy: 0.5336459340815243
Energy: 0.5226547429629277
Energy: 0.5291002126070745
Energy: 0.5222919370470773
Energy: 0.4895056909292171
Energy: 0.5971006520939137
Energy: 0.5018593064424024
Energy: 0.5280876303236819
Energy: 0.49921528777257607
Energy: 0.4967659854064205
Energy: 0.5972254366931048
Energy: 0.5450109810925371
Energy: 0.5148720845110475
Energy: 0.5209877688982023
Energy: 0.523904483864667
Energy: 0.49015735189476867
Energy: 0.4965427647103676
Energy: 0.5140111128594266
Energy: 0.5156908390709355
Energy: 0.5131280012790799
Energy: 0.5397122816747008
Energy: 0.5416919201744885
Energy: 0.5497126898668637
Energy: 0.5416590936419252
Energy: 0.5124627566684519
Energy: 0.5035704261544889
Energy: 0.5377170299077576
Energy: 0.5204427593277601
Energy: 0.5346138547769775
Energy: 0.5026021580444417
Energy: 0.517987990223043
Energy: 0.5368654603686693
Energy: 0.5188609202394651
Energy: 0.5173262302862145
Energy: 0.50382111494541
Energy: 0.5272243602299255
Energy: 0.5152057674678061
Energy: 0.5182536063882806
Energy: 0.5174440052105932
Energy: 0.5050686699698239
Energy: 0.5264235908509316
Energy: 0.5701483273334307
Energy: 0.5173301884227535
Energy: 0.5185172512437944
Energy: 0.5185421765463709
Energy: 0.4885455722971269
Energy: 0.6586690125985457
Energy: 0.5175782163523607
Energy: 0.5222313414838133
Energy: 0.5420667502573959
Energy: 0.5142019906669215
Energy: 0.5706112899679291
Energy: 0.5184243113511109
Energy: 0.5742314708725788
Energy: 0.5310875484610333
Energy: 0.518320337245589
Energy: 0.5166435071101078
Energy: 0.5290633221705461
Energy: 0.5776453052656955
Energy: 0.5414213706159258
Energy: 0.5179371762030595
Energy: 0.5112111149637445
Energy: 0.5199492403015596
Energy: 0.5169974210060083
Energy: 0.5203311392298752
Energy: 0.5215942993959813
Energy: 0.5050196195757329
Energy: 0.5199235706941294
Energy: 0.5182699803885636
Energy: 0.5104295335155686
Energy: 0.5472669082582114
Energy: 0.5202718320393447
Energy: 0.5032273572853196
Energy: 0.5215701973940583
Energy: 0.531250399306701
Energy: 0.656201974991238
Energy: 0.5198828608749152
Energy: 0.5141803294351518
Energy: 0.5227835103787873
Energy: 0.523142792107772
Energy: 0.6527532805820344
Energy: 0.5280527437709064
Energy: 0.53695792749053
Energy: 0.5124592272192116
Energy: 0.5018423897147668
Energy: 0.5476019659215899
Energy: 0.5211568032089725
Energy: 0.5073297673828179
Energy: 0.5323650909180856
Energy: 0.509251077158208
Energy: 0.5475720300190334
Energy: 0.5114475697762114
Energy: 0.5659638810348554
Energy: 0.5113442347976748
Energy: 0.4934442431950122
Energy: 0.5055670182570794
Energy: 0.5061782690035215
Energy: 0.5329117947071045
Energy: 0.5153216044460791
Energy: 0.498370852693194
Energy: 0.5190268439094179
Energy: 0.5215663209844654
Energy: 0.5215182329079772
Energy: 0.5004274472282003
Energy: 0.4930972531835901
Energy: 0.5005863944535174
Energy: 0.49690401556613084
Energy: 0.5262594372641836
Energy: 0.4993921917595565
Energy: 0.4974819104478437
Energy: 0.5017755613120803
Energy: 0.5021274856379832
Energy: 0.5198823923893326
Energy: 0.5032239941317636
Energy: 0.501505769017839
Energy: 0.5047323852178887
Energy: 0.5046077962632795
Energy: 0.5219280880645248
Energy: 0.513395951781224
Energy: 0.5066679959070238
Energy: 0.5141073991558429
Energy: 0.5409463392875905
Energy: 0.5218045350543474
Energy: 0.5328691581130828
Energy: 0.501877686956651
Energy: 0.5319383433026089
Energy: 0.5410653575151956
Energy: 0.5293860600557624
Energy: 0.5337398988682224
Energy: 0.50138433972431
Energy: 0.5327552722777584
Energy: 0.5225503698453161
Energy: 0.5111028175157175
Energy: 0.5030303985648026
Energy: 0.5329538913195433
Energy: 0.5238799078860725
Energy: 0.5172434503307346
Energy: 0.5087468622938557
Energy: 0.5030334287133926
Energy: 0.5150610119382615
Energy: 0.5276032926778914
Energy: 0.51567547956766
Energy: 0.516040186871724
Energy: 0.5145935086822688
Energy: 0.5245766362840193
Energy: 0.5197934065107844
Energy: 0.5141913412833097
Energy: 0.5146997337693441
Energy: 0.564006971364068
Energy: 0.5384742123118674
Energy: 0.5515186582921197
Energy: 0.5106077173148126
Energy: 0.5075960820386938
Energy: 0.5035721059812476
Energy: 0.5210171246072567
Energy: 0.5494468922179362
Energy: 0.5367531620273458
Energy: 0.5126467894958947
Energy: 0.5038714065181605
Energy: 0.5289204269400463
Energy: 0.5489561862525195
Energy: 0.5215408403080698
Energy: 0.5174902475844226
Energy: 0.5176746917750059
Energy: 0.5358902409607679
Energy: 0.5186833646486934
Energy: 0.5212433665080897
Energy: 0.517806806237735
Energy: 0.5562019227580893
Energy: 0.5235132775429276
Energy: 0.5181972667519312
Energy: 0.5173491230637669
Energy: 0.5304960938932869
Energy: 0.5137602256659689
Energy: 0.5069964567888656
Energy: 0.5018962282458745
Energy: 0.518990447235583
Energy: 0.5297378718859568
Energy: 0.5279854851771445
Energy: 0.5207233383889813
Energy: 0.517735434859261
Energy: 0.5351723675779941
Energy: 0.6251278309699201
Energy: 0.5374888915539869
Energy: 0.5029991188429823
Energy: 0.5285530682400217
Energy: 0.5513163747294264
Energy: 0.626033504715953
Energy: 0.5367329186154101
Energy: 0.5685678354978109
Energy: 0.5288984175159046
Energy: 0.5188355642714376
Energy: 0.5263346824963138
Energy: 0.5402113915828323
Energy: 0.5068619514287497
Energy: 0.5162343113488543
Energy: 0.5181974985448567
Energy: 0.5213121457044672
Energy: 0.5254523784005506
Energy: 0.4973227170305468
Energy: 0.5175046920938992
Energy: 0.5247662688424554
Energy: 0.5369405536755618
Energy: 0.5236087686579312
Energy: 0.5228943425673189
Energy: 0.5107480668054579
Energy: 0.5230386805594164
Energy: 0.5379285200352115
Energy: 0.5234297780048671
Energy: 0.5227481688872423
Energy: 0.5186463211325957
Energy: 0.49360224739367614
Energy: 0.5320229258968383
Energy: 0.50636732712564
Energy: 0.5180797604819974
Energy: 0.5365281665525121
Energy: 0.49272519168699075
Energy: 0.5149813381554248
Energy: 0.5040866064008545
Energy: 0.5214974626727947
Energy: 0.5327797839470753
Energy: 0.5062505881993097
Energy: 0.5145236660733797
Energy: 0.4979634564721009
Energy: 0.5120464806184349
Energy: 0.5675071530238046
Energy: 0.506156983560246
Energy: 0.5034846363495106
Energy: 0.4929693056267235
Energy: 0.5009479746590572
Energy: 0.5632650959340463
Energy: 0.5112650122881448
Energy: 0.4969823633916029
Energy: 0.5177591681260089
Energy: 0.4913177548084649
Energy: 0.5166429865508915
Energy: 0.4984358667568282
Energy: 0.4920659653044278
Energy: 0.5041126998330083
Energy: 0.49984450040147843
Energy: 0.5213861053239184
Energy: 0.519043906620298
Energy: 0.5206327315221848
Energy: 0.5475304743632501
Energy: 0.4986870465875449
Energy: 0.5188846651443877
Energy: 0.5027742974085808
Energy: 0.5105696454252835
Energy: 0.5244994930591804
Energy: 0.49905166029593645
Energy: 0.524519719255466
Energy: 0.5104957074154185
Energy: 0.5491649726802398
Energy: 0.5296289431128334
Energy: 0.5129787179882618
Energy: 0.5200948158392863
Energy: 0.5044664205731493
Energy: 0.5027828870594101
Energy: 0.5355238222514223
Energy: 0.5140036641772465
Energy: 0.534503808823012
Energy: 0.5059833561682706
Energy: 0.5014451947297136
Energy: 0.5307049255195693
Energy: 0.5237901729554274
Energy: 0.5099212503752867
Energy: 0.5017310218239684
Energy: 0.5348288934636
Energy: 0.5269553453565075
Energy: 0.516145952800554
Energy: 0.5033969971574764
Energy: 0.5079749421205332
Energy: 0.5421981558147073
Energy: 0.5374577291516814
Energy: 0.5153827883592038
Energy: 0.5248673043730017
Energy: 0.4976066541313135
Energy: 0.5146234177760046
Energy: 0.5178066789776293
Energy: 0.5141383556320043
Energy: 0.5146175444909098
Energy: 0.597418733786772
Energy: 0.5373074088074306
Energy: 0.5158301627255263
Energy: 0.530029562335701
Energy: 0.5373463942211019
Energy: 0.5037339935288787
Energy: 0.5354504909744101
Energy: 0.5025362712247722
Energy: 0.5232948280952274
Energy: 0.524587138507371
Energy: 0.5626367581455523
Energy: 0.5247876889334906
Energy: 0.5219655860412671
Energy: 0.5224268231570596
Energy: 0.5177907611549214
Energy: 0.5587259992076976
Energy: 0.5270603250007916
Energy: 0.5194262774640084
Energy: 0.5199770967688861
Energy: 0.5171944916682958
Energy: 0.5419052215917854
Energy: 0.510986335915246
Energy: 0.5024208019383631
Energy: 0.5086887295623977
Energy: 0.5236431578865965
Energy: 0.5410517131150968
Energy: 0.5118366292657649
Energy: 0.5032813185604038
Energy: 0.5185018826359343
Energy: 0.5232249988450809
Energy: 0.5415666620458934
Energy: 0.5184287882493607
Energy: 0.5268672698997627
Energy: 0.5159273989190559
Energy: 0.510961908750702
Energy: 0.5394154662806951
Energy: 0.5182644739790483
Energy: 0.5272784670856423
Energy: 0.5284036927613603
Energy: 0.5138587648334921
Energy: 0.5367844437148329
Energy: 0.521079151800939
Energy: 0.5150157080057041
Energy: 0.5142032404280602
Energy: 0.5225817141827782
Energy: 0.5058825332382721
Energy: 0.5044295849937057
Energy: 0.5194241861209082
Energy: 0.5186999963890704
Energy: 0.5160313255619707
Energy: 0.5249010738625165
Energy: 0.5182513586588922
Energy: 0.49791768240268236
Energy: 0.4945729611487497
Energy: 0.53891312252603
Energy: 0.5233035850990754
Energy: 0.5044103131133278
Energy: 0.5400281683115606
Energy: 0.5248660760902197
Energy: 0.5412472205746993
Energy: 0.5204467060345165
Energy: 0.5546682446922931
Energy: 0.5285752929834845
Energy: 0.49604534473740963
Energy: 0.4934909217181452
Energy: 0.49238819187261595
Energy: 0.49748476748379367
Energy: 0.5160809847295696
Energy: 0.49749565526255807
Energy: 0.5316428541321762
Energy: 0.5329865002071374
Energy: 0.5238434370521674
Energy: 0.5425061672717449
Energy: 0.52496926991153
Energy: 0.49047798402661974
Energy: 0.5986208158216899
Energy: 0.4912240040425166
Energy: 0.561734343117178
Energy: 0.5167371744691484
Energy: 0.5236920740266537

minimum gb energy = 0.48804377443244323 eV
minimum distance =  2.6801593588592 Angstroms
sigma value = 185


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

Energy: 0.35755973506861466
Energy: 0.47510498871862067
Energy: 0.4617926963721825
Energy: 0.32253041110787883
Energy: 0.2740570193898006
Energy: 0.273140913639959
Energy: 0.3862170782577585
Energy: 0.37159862638810853
Energy: 0.47838934191261556
Energy: 0.3592234522765437
Energy: 0.3615609199541482
Energy: 0.48069490711544505
Energy: 0.4894003415674
Energy: 0.36446533405985
Energy: 0.3639835992841837
Energy: 0.3755169861326545
Energy: 0.3081968903698247
Energy: 0.4974093834197933
Energy: 0.4813050185524528
Energy: 0.36528983945833704
Energy: 0.3304170034145139
Energy: 0.39989702108300357
Energy: 0.5078243565391378
Energy: 0.3539435533081999
Energy: 0.2938528307951391
Energy: 0.3189160624850127
Energy: 0.397652003833373
Energy: 0.4932710469752383
Energy: 0.39252576949449597
Energy: 0.2551141792191952
Energy: 0.2538737986995093
Energy: 0.4829696956927274
Energy: 0.4661842778754591
Energy: 0.35717769862042503
Energy: 0.27251080788196064
Energy: 0.26926831273018215
Energy: 0.4569683416048694
Energy: 0.45135917763390526
Energy: 0.35230756570044214
Energy: 0.25729759064967567
Energy: 0.31930160596081364
Energy: 0.359182878360423
Energy: 0.38049019174778576
Energy: 0.348881459124255
Energy: 0.3582289409742158
Energy: 0.306563888709385
Energy: 0.3448102918511826
Energy: 0.3422263604272691
Energy: 0.3597280678862998
Energy: 0.3587210987982118
Energy: 0.34151421015944494
Energy: 0.48935447507439306
Energy: 0.3169066234016563
Energy: 0.2540061427270627
Energy: 0.2607529384865449
Energy: 0.4022782501578126
Energy: 0.3845839113254605
Energy: 0.33381389496971764
Energy: 0.19807893135836965
Energy: 0.21459005177019258
Energy: 0.340530436143549
Energy: 0.5031695043145876
Energy: 0.32863043921827956
Energy: 0.25437816486254416
Energy: 0.25434135402103236
Energy: 0.3366691326505516
Energy: 0.4016184669122179
Energy: 0.3829314342096552
Energy: 0.19823324858850064
Energy: 0.4035949378299494
Energy: 0.3375510122923583
Energy: 0.4331399404806705
Energy: 0.34961500617925734
Energy: 0.344505507716547
Energy: 0.37566552211648446
Energy: 0.33956709197794804
Energy: 0.40463863804622374
Energy: 0.38754406925568763
Energy: 0.367116417900863
Energy: 0.3748738783157058
Energy: 0.33584014732470746
Energy: 0.32900108572113507
Energy: 0.23488835721707868
Energy: 0.23538699902854868
Energy: 0.3452379219183402
Energy: 0.4954440828614545
Energy: 0.3813486965659792
Energy: 0.27670312095238614
Energy: 0.2732328694569077
Energy: 0.49441207562729395
Energy: 0.49910822304947094
Energy: 0.40375103671036955
Energy: 0.23085131493659822
Energy: 0.3531510718853649
Energy: 0.40357536822744905
Energy: 0.49401134803097074
Energy: 0.3752934440422422
Energy: 0.2663302104203309
Energy: 0.41564570912085463
Energy: 0.4635154733586
Energy: 0.3658347286257143
Energy: 0.38095688554107926
Energy: 0.25003589375453
Energy: 0.38041950635358707
Energy: 0.5001275260739623
Energy: 0.45699642207501845
Energy: 0.2603892920123235
Energy: 0.2660073198853782
Energy: 0.381824008645598
Energy: 0.46635424354496935
Energy: 0.3072772983091638
Energy: 0.2546421012299482
Energy: 0.25360506430969754
Energy: 0.37227894955189156
Energy: 0.5093131541844649
Energy: 0.41516720884763236
Energy: 0.2731518447771479
Energy: 0.2723389706617044
Energy: 0.40190065218657245
Energy: 0.5057747549325328
Energy: 0.3926938799106185
Energy: 0.3845228115332284
Energy: 0.38075817381350524
Energy: 0.38511130610822464
Energy: 0.44629676371529986
Energy: 0.3447468893286574
Energy: 0.3241719715379072
Energy: 0.380349733452716
Energy: 0.42278710140078735
Energy: 0.496240081499455
Energy: 0.2731186866448417
Energy: 0.27372981476726405
Energy: 0.34627120754886387
Energy: 0.4929745160066896
Energy: 0.4342108679453336
Energy: 0.252047773805859
Energy: 0.25224103383646324
Energy: 0.4144701145445667
Energy: 0.4466359070898447
Energy: 0.4323887635428533
Energy: 0.2604609621303387
Energy: 0.27337217992248003
Energy: 0.3285360986395642
Energy: 0.43557715542340203
Energy: 0.43353532597028543
Energy: 0.24316640961247563
Energy: 0.2520907172498046
Energy: 0.3301498242523724
Energy: 0.49431417274483336
Energy: 0.40870014455922987
Energy: 0.37748347290891937
Energy: 0.3635731008281228
Energy: 0.44393221404863653
Energy: 0.43438414512318074
Energy: 0.38098176613157175
Energy: 0.3774021097288692
Energy: 0.3887412030450283
Energy: 0.41489132624729724
Energy: 0.47250188048948966
Energy: 0.37898848359872966
Energy: 0.2686111695201684
Energy: 0.39389430695060745
Energy: 0.42675601426962617
Energy: 0.4485814385748151
Energy: 0.2727048763692032
Energy: 0.2748063816789739
Energy: 0.384643132544584
Energy: 0.45440757983263114
Energy: 0.47145727399722165
Energy: 0.2663278976514277
Energy: 0.27086089322058443
Energy: 0.38268577993395336
Energy: 0.5148301989389391
Energy: 0.36142600092829835
Energy: 0.35399542937740436
Energy: 0.27572123611901656
Energy: 0.3423862487208923
Energy: 0.4721891568885739
Energy: 0.46511164567148755
Energy: 0.3061371212086821
Energy: 0.35777957760713636
Energy: 0.4064386352918658
Energy: 0.4443119720098946
Energy: 0.4194800183132967
Energy: 0.2429898064763039
Energy: 0.4059817795830687
Energy: 0.33028265030767234
Energy: 0.4467540130163272
Energy: 0.4496228600648636
Energy: 0.26068786471327093
Energy: 0.27304550326215615
Energy: 0.4514555228925036
Energy: 0.4428540440234727
Energy: 0.32745160923569044
Energy: 0.25120087997749463
Energy: 0.2519398173053859
Energy: 0.42443989147428235
Energy: 0.5057703164220468
Energy: 0.273774580867099
Energy: 0.2721040274302658
Energy: 0.3861003684479421
Energy: 0.44107622981528016
Energy: 0.4094822245959319
Energy: 0.3757940837953237
Energy: 0.3770614301210969
Energy: 0.42296372650280795
Energy: 0.45637858468736825
Energy: 0.3787585095473774
Energy: 0.3724312002699254
Energy: 0.3881496843715991
Energy: 0.37769856923944484
Energy: 0.5281086358311248
Energy: 0.3451163367122133
Energy: 0.2746970179535104
Energy: 0.26071964638422246
Energy: 0.3230257573838886
Energy: 0.5176556480951339
Energy: 0.3776670868721664
Energy: 0.25496098097615655
Energy: 0.3774315323671632
Energy: 0.4067920390264563
Energy: 0.486179645063089
Energy: 0.40476738912698906
Energy: 0.27721852298446076
Energy: 0.272490799201043
Energy: 0.43917035358610645
Energy: 0.40013287966933164
Energy: 0.3912797810122639
Energy: 0.2570655688714617
Energy: 0.2536716296860682
Energy: 0.3806261617119139
Energy: 0.4729888035364167
Energy: 0.3750977513234746
Energy: 0.36937660556708424
Energy: 0.3751248920096208
Energy: 0.482368435543443
Energy: 0.30595137190717914
Energy: 0.4055369302175572
Energy: 0.3342937534964987
Energy: 0.3451272699343535
Energy: 0.4029791126938778
Energy: 0.47244382221461434
Energy: 0.2729528226664619
Energy: 0.2743227747673111
Energy: 0.3257415115326584
Energy: 0.4828139414355314
Energy: 0.36776926915453145
Energy: 0.2352949984100265
Energy: 0.2367436448829056
Energy: 0.3333588794656508
Energy: 0.5029010422013469
Energy: 0.3434293094250743
Energy: 0.26066541409276084
Energy: 0.27526024182441905
Energy: 0.4826578683314206
Energy: 0.4977834545082054
Energy: 0.37753233316343887
Energy: 0.23637555970183158
Energy: 0.23612519750261518
Energy: 0.3538530859441553
Energy: 0.34297986918934065
Energy: 0.31999256496356004
Energy: 0.3909124661242511
Energy: 0.369893829090333
Energy: 0.5064344926420253
Energy: 0.4330021238791509
Energy: 0.3240349257562613
Energy: 0.3702440257352386
Energy: 0.34412807451630056
Energy: 0.45154970596726757
Energy: 0.37874209331385195
Energy: 0.19784891127129695
Energy: 0.20213695960547756
Energy: 0.37839150489422224
Energy: 0.5055949189514188
Energy: 0.419289199634809
Energy: 0.25344377561576675
Energy: 0.2536638826680265
Energy: 0.4909131078699513
Energy: 0.32022359820262347
Energy: 0.3743257381122363
Energy: 0.38072370806903577
Energy: 0.19920609568014908
Energy: 0.3187375600472574
Energy: 0.499954176461582
Energy: 0.3513259476886775
Energy: 0.3488241593196388
Energy: 0.3129837437410815
Energy: 0.3185925919711273
Energy: 0.4251055304606494
Energy: 0.3282848769331791
Energy: 0.26852529450897816
Energy: 0.38700855690339964
Energy: 0.35277490247516136
Energy: 0.3703818682909416
Energy: 0.3174977563442501
Energy: 0.26318994482530256
Energy: 0.32470465518841835
Energy: 0.3938355100271758
Energy: 0.4239308810851208
Energy: 0.25566966127720797
Energy: 0.2560381764651026
Energy: 0.3970706908523777
Energy: 0.42595219188414907
Energy: 0.35524213729991405
Energy: 0.27038091948538917
Energy: 0.27306380887003506
Energy: 0.3064935043957302
Energy: 0.41047077728473474
Energy: 0.3365734065677702
Energy: 0.34965819325751873
Energy: 0.33639324597845277
Energy: 0.4115932885153052
Energy: 0.4984051403579774
Energy: 0.3621488647226994
Energy: 0.3076680955420114
Energy: 0.3199381471202221
Energy: 0.3598780089059769
Energy: 0.4673516864088751
Energy: 0.4016932190099767
Energy: 0.3603545196842776
Energy: 0.34097375928600254
Energy: 0.4756576967760433
Energy: 0.5015890019746274
Energy: 0.3629128753097892
Energy: 0.2741282001780218
Energy: 0.31669592094374166
Energy: 0.5038468881041116
Energy: 0.5190080260593899
Energy: 0.35944639618243046

minimum gb energy = 0.19784891127129695 eV
minimum distance =  2.69616313119071 Angstroms
sigma value = 33


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

Energy: 0.7737506708507599
Energy: 0.4523165940618281
Energy: 0.47094670348276785
Energy: 0.45954068730368197
Energy: 0.4325012159979272
Energy: 0.4320867746902536
Energy: 0.439290297443364
Energy: 0.45266915292975557
Energy: 0.47100368629546974
Energy: 0.4463585135583677
Energy: 0.4519877473520859
Energy: 0.4537358114644903
Energy: 0.45558499017329795
Energy: 0.4516211415302364
Energy: 0.4492889700242197
Energy: 0.4363585615852959
Energy: 0.47273615705723593
Energy: 0.46276816925997294
Energy: 0.4568536809622476
Energy: 0.454651771827356
Energy: 0.4573882907381043
Energy: 0.46334956527338284
Energy: 0.46322292026040385
Energy: 0.474482712366039
Energy: 0.43541203906195397
Energy: 0.44800974243583425
Energy: 0.46376286093407987
Energy: 0.46414127205263905
Energy: 0.4973512800995345
Energy: 0.4357561039255532
Energy: 0.48638446060282114
Energy: 0.4816876570547036
Energy: 0.4821862520088104
Energy: 0.45389868720967713
Energy: 0.44727222119855875
Energy: 0.4870120184262081
Energy: 0.47174050088304537
Energy: 0.48049191418988996
Energy: 0.46497205914049067
Energy: 0.43683862053557726
Energy: 0.45350997858517494
Energy: 0.4553243907618758
Energy: 0.47090079709589455
Energy: 0.4453799631557951
Energy: 0.4545326061501383
Energy: 0.4559485510155098
Energy: 0.46024938386029346
Energy: 0.47156138115983787
Energy: 0.4455089585233288
Energy: 0.4637396282024334
Energy: 0.45388155769907984
Energy: 0.45322649184726027
Energy: 0.48685088971480145
Energy: 0.47313000068507544
Energy: 0.4512206542583063
Energy: 0.4560659184338203
Energy: 0.4559075750821817
Energy: 0.49559937580621594
Energy: 0.45658378950604384
Energy: 0.4523937588124824
Energy: 0.47918916513044874
Energy: 0.46552218787217564
Energy: 0.4795982467056558
Energy: 0.46912347829562046
Energy: 0.48426462385966124
Energy: 0.4862979293930041
Energy: 0.46557101536546347
Energy: 0.47769168961180397
Energy: 0.47544465144010783
Energy: 0.47801593067192755
Energy: 0.44549479092397265
Energy: 0.4540148393685358
Energy: 0.44185261032489886
Energy: 0.44654516320768584
Energy: 0.44505312118862567
Energy: 0.4456856479707688
Energy: 0.4644914838381718
Energy: 0.44190419648567036
Energy: 0.44675229018115886
Energy: 0.44523804274426687
Energy: 0.4451708574072193
Energy: 0.46161301393038023
Energy: 0.4499754944084972
Energy: 0.4496626910832766
Energy: 0.4458247654592191
Energy: 0.4452895954597982
Energy: 0.4545875336272796
Energy: 0.44993254086734397
Energy: 0.44858800218675066
Energy: 0.4459173685112936
Energy: 0.5661459534019743
Energy: 0.45742943858284607
Energy: 0.4588331824569255
Energy: 0.4422083181913619
Energy: 0.4664217844427104
Energy: 0.4552443470070188
Energy: 0.45767910446999466
Energy: 0.49145849578683637
Energy: 0.4424578661101381
Energy: 0.45912701362405683
Energy: 0.44499174690128834
Energy: 0.4611655282948678
Energy: 0.45583676939962287
Energy: 0.44170259448885835
Energy: 0.4419513796280619
Energy: 0.444903569288933
Energy: 0.4593089731140138
Energy: 0.4586214685048041
Energy: 0.44368029966021266
Energy: 0.4421778969507269
Energy: 0.4701985081242669
Energy: 0.4511191678205262
Energy: 0.5096858522146178
Energy: 0.47474699189700237
Energy: 0.43558858347737517
Energy: 0.4712701695304565
Energy: 0.450528850704663
Energy: 0.5073558143883987
Energy: 0.47419473061951906
Energy: 0.4354257001859069
Energy: 0.4910492419845615
Energy: 0.4599156097662961
Energy: 0.4419543123749526
Energy: 0.4430319337688806
Energy: 0.4516206289606243
Energy: 0.521624048242212
Energy: 0.47435524172080934
Energy: 0.44211874905336507
Energy: 0.44257903634587215
Energy: 0.4404453678830559
Energy: 0.48028330811311115
Energy: 0.4593306686106104
Energy: 0.4422166911553647
Energy: 0.4419775547470121
Energy: 0.5036429066207906
Energy: 0.49035833715675764
Energy: 0.457884097907411
Energy: 0.4421871902867854
Energy: 0.4419581907709074
Energy: 0.503940949266205
Energy: 0.4633798336120981
Energy: 0.4481921202358842
Energy: 0.5190863774709075
Energy: 0.4737966893571721
Energy: 0.44690294254899626
Energy: 0.4588932878547606
Energy: 0.45452100965009934
Energy: 0.5197727876555066
Energy: 0.4680260786455032
Energy: 0.4504955589178851
Energy: 0.4653293540191385
Energy: 0.44469129632484694
Energy: 0.44505747668330753
Energy: 0.44811574845801605
Energy: 0.45023315797107133
Energy: 0.5109994377863015
Energy: 0.44720107524465424
Energy: 0.4462052663377936
Energy: 0.4565288612144177
Energy: 0.4986868692484494
Energy: 0.48167884900708086
Energy: 0.4467716191269845
Energy: 0.4455329247399189
Energy: 0.4615817578791402
Energy: 0.5041311100478066
Energy: 0.474448629635223
Energy: 0.4476523330355501
Energy: 0.441141694557947
Energy: 0.44215614246269963
Energy: 0.496243895325669
Energy: 0.4528873361831937
Energy: 0.46119197335461753
Energy: 0.44656062979671546
Energy: 0.4467724104512542
Energy: 0.4539528734715858
Energy: 0.4535672285380308
Energy: 0.44969631347987665
Energy: 0.4473228131558238
Energy: 0.44741504590486775
Energy: 0.4485527614457441
Energy: 0.4530654424789496
Energy: 0.4523085216160523
Energy: 0.461771819085313
Energy: 0.44604000584716896
Energy: 0.47846676608216265
Energy: 0.45507758826361594
Energy: 0.4448632576665294
Energy: 0.4981800321051466
Energy: 0.4397147919255561
Energy: 0.47245627331959006
Energy: 0.45474614567992183
Energy: 0.46853841666609597
Energy: 0.48188470329294003
Energy: 0.45572441905346495
Energy: 0.4706269282803373
Energy: 0.4554139102686536
Energy: 0.45572364584885194
Energy: 0.43884384585646824
Energy: 0.4529677698073373
Energy: 0.5198848524941001
Energy: 0.4752959406624415
Energy: 0.43789583084309464
Energy: 0.4884404643598572
Energy: 0.4729757031056381
Energy: 0.4578607580540052
Energy: 0.4677568965184311
Energy: 0.42846286298891123
Energy: 0.48711245220458077
Energy: 0.46878939475045006
Energy: 0.47543430871638637
Energy: 0.45678152519558207
Energy: 0.4658792602958015
Energy: 0.4511081769110444
Energy: 0.4645750221528473
Energy: 0.4708369719234994
Energy: 0.45682880021668504
Energy: 0.46119066594915376
Energy: 0.44458057513357163
Energy: 0.45996271818845014
Energy: 0.46761874938252984
Energy: 0.4801648052714361
Energy: 0.4474015310217482
Energy: 0.4761876206217302
Energy: 0.464936675959499
Energy: 0.468544141112421
Energy: 0.48710797954174234
Energy: 0.4473843205556507
Energy: 0.4871746648478963
Energy: 0.46508035846868573
Energy: 0.47323807300187304
Energy: 0.46713539994804465
Energy: 0.43613835110261134
Energy: 0.4571688406986778
Energy: 0.48931846632522763
Energy: 0.4812091432842612
Energy: 0.451548797884588
Energy: 0.43594704884015933
Energy: 0.4666650152112046
Energy: 0.4826806431773689
Energy: 0.4645374957953616
Energy: 0.4467700661980919
Energy: 0.45514272949859313
Energy: 0.45467479311617814
Energy: 0.45862200722450075
Energy: 0.45243846923871284
Energy: 0.4463307026933276
Energy: 0.4563038251657396
Energy: 0.4560872824699239
Energy: 0.47451421779851
Energy: 0.4523320379022098
Energy: 0.4351559914148939
Energy: 0.4577653028814476
Energy: 0.4551866897510389
Energy: 0.46871506899230186
Energy: 0.4475576595641968
Energy: 0.44661229445035217
Energy: 0.46356581719349127
Energy: 0.4560939592072195
Energy: 0.4550274900446125
Energy: 0.4472761410542757
Energy: 0.4355943196032208
Energy: 0.447940115580122
Energy: 0.4673030245119988
Energy: 0.4653776280429907
Energy: 0.4678483299824369
Energy: 0.4353792348882964
Energy: 0.44745259013147076
Energy: 0.4674832585383554
Energy: 0.46743227188109104
Energy: 0.4751902944986054
Energy: 0.4465564466127855
Energy: 0.44581452115351994
Energy: 0.44638118884566735
Energy: 0.461477801519956
Energy: 0.4348613449346096
Energy: 0.4462008705204767
Energy: 0.4457831064888992
Energy: 0.44676588439190823
Energy: 0.4876576219351649
Energy: 0.43498338249669627
Energy: 0.4479447393091799
Energy: 0.4462565074305668
Energy: 0.45289249517663627
Energy: 0.45949178632059445
Energy: 0.4502349149635329
Energy: 0.4548245634623369
Energy: 0.44600946594503704
Energy: 0.45331411183790726
Energy: 0.45449342096972645
Energy: 0.46122618097327484
Energy: 0.4421762173452537
Energy: 0.4543618422757066
Energy: 0.48607757205418184
Energy: 0.5042103692804608
Energy: 0.44231843464827264
Energy: 0.4421447364214606
Energy: 0.45525035767641375
Energy: 0.4838562978659447
Energy: 0.5129969784567049
Energy: 0.4419199738288046
Energy: 0.44187768879754064
Energy: 0.44226823726351383
Energy: 0.5056589830438936
Energy: 0.4389170966626091
Energy: 0.45594116724967576
Energy: 0.4417787160679564
Energy: 0.4424698074619162
Energy: 0.4534543457236137
Energy: 0.43847246741234347
Energy: 0.45937004483734606
Energy: 0.4555891751508783
Energy: 0.4515837305889401
Energy: 0.4736337507539564
Energy: 0.44995897285912484
Energy: 0.48852009576149047
Energy: 0.48328968557958846
Energy: 0.4543313615857603
Energy: 0.4741117644939451
Energy: 0.4501021021497573
Energy: 0.4758544835414282
Energy: 0.4439571311163705
Energy: 0.4361902472983413
Energy: 0.4513231767079208
Energy: 0.4427070976000477
Energy: 0.44332001478729427
Energy: 0.44300587647996126
Energy: 0.43702459353653406
Energy: 0.4510717068544357
Energy: 0.44268677624167835
Energy: 0.4437833476988347
Energy: 0.44209849309316196
Energy: 0.45002800174283525
Energy: 0.4794617535578631
Energy: 0.45992548383845316
Energy: 0.4424601806768341
Energy: 0.4422500584476426
Energy: 0.4398863217620013
Energy: 0.4992801415279489
Energy: 0.46840987724846234
Energy: 0.4424655317420183
Energy: 0.4656179533436694
Energy: 0.45633182430824565
Energy: 0.4452885207727213
Energy: 0.44648784478067904
Energy: 0.44702888338646735
Energy: 0.4535994954950568
Energy: 0.45726732664345615
Energy: 0.4521899703162999
Energy: 0.4458897513355058
Energy: 0.44648680506910166
Energy: 0.4346331466653993
Energy: 0.46458806704843714
Energy: 0.4499447339787907
Energy: 0.44614092247338133
Energy: 0.44630794034016863
Energy: 0.44218076881006313
Energy: 0.46041634305853646
Energy: 0.4481467051032829
Energy: 0.4458465114136875
Energy: 0.4459353218219843
Energy: 0.46553955798024776
Energy: 0.4610832247676132
Energy: 0.46577722127346305
Energy: 0.44069445930032536
Energy: 0.43434712948888643
Energy: 0.4548843658354767
Energy: 0.46771810970966315
Energy: 0.4685299387232342
Energy: 0.44791724357860224
Energy: 0.4345361830609934
Energy: 0.5279142519054582
Energy: 0.48298087622476676
Energy: 0.453705586864238
Energy: 0.45109247230550537
Energy: 0.4464439345150306
Energy: 0.4783024973126187
Energy: 0.4904042042862156
Energy: 0.4531750462292749
Energy: 0.45014801514051866
Energy: 0.4362802481638454
Energy: 0.4459262140674431
Energy: 0.4772341062619949
Energy: 0.4466557815030432
Energy: 0.4449664894115087
Energy: 0.44100085266708444
Energy: 0.4499791181989851
Energy: 0.4698127036948484
Energy: 0.45237377762789643
Energy: 0.4520219156604787
Energy: 0.4454443780814322
Energy: 0.4665466967923697
Energy: 0.4814544140042147
Energy: 0.46698360436957526
Energy: 0.46690493641822317
Energy: 0.42995270827164844
Energy: 0.46295565866163396
Energy: 0.46654983086617485
Energy: 0.46438760826658176
Energy: 0.4331692866165556
Energy: 0.4436370590703873
Energy: 0.46501201879064885
Energy: 0.4615211969630198
Energy: 0.454169748200636
Energy: 0.42973468709946167
Energy: 0.4887795412910989
Energy: 0.46117431277676785
Energy: 0.47248531162057633
Energy: 0.4573160330372898
Energy: 0.47507119363000233
Energy: 0.4648666969605569
Energy: 0.46708462295546926
Energy: 0.4617074912550996
Energy: 0.4599322180004657
Energy: 0.44238643463259203
Energy: 0.4444650606506248
Energy: 0.46683583027267195
Energy: 0.4597112872646561
Energy: 0.4649824565442359
Energy: 0.450426024287129
Energy: 0.45128834204013807
Energy: 0.46440170454950697
Energy: 0.4613951298586418
Energy: 0.5490973202692124
Energy: 0.4463737028693923
Energy: 0.47740323709723176
Energy: 0.4640798500978868
Energy: 0.46382902016891253
Energy: 0.5496997870526521
Energy: 0.44636713680267454
Energy: 0.48325641213891535
Energy: 0.4720204014356328
Energy: 0.4583427859844356
Energy: 0.4734855663300851
Energy: 0.47969881818729565
Energy: 0.4743923071091303
Energy: 0.47251884943432926
Energy: 0.4640924365026331
Energy: 0.47157621152756923
Energy: 0.47608970840542614
Energy: 0.4762960806224977
Energy: 0.471198050677293
Energy: 0.48998880733920397
Energy: 0.4588908335990033
Energy: 0.456213048585929
Energy: 0.4584723497853998
Energy: 0.48524397212178283
Energy: 0.4465921263131728
Energy: 0.4554765662854746
Energy: 0.4550256567084411
Energy: 0.45478651696347355
Energy: 0.4582753638925911
Energy: 0.44884708336467605
Energy: 0.44692102064376
Energy: 0.4694735120119061
Energy: 0.4564148127355576
Energy: 0.45861234333118306
Energy: 0.4490790738782279
Energy: 0.44669518117184465
Energy: 0.4662756734952888
Energy: 0.4551379995647096
Energy: 0.4816349258091663
Energy: 0.43694506958257634
Energy: 0.44553480645006815
Energy: 0.4466004057503142
Energy: 0.466568833328014
Energy: 0.4812015340414426
Energy: 0.4459806769917103
Energy: 0.4454919890015861
Energy: 0.44653164632838793
Energy: 0.4808443622693734
Energy: 0.4942424049831216
Energy: 0.4679974543899439
Energy: 0.44603138837657913
Energy: 0.44546568881257087
Energy: 0.4978547342444844
Energy: 0.491246964775454
Energy: 0.44802494572760787
Energy: 0.44572744819718135
Energy: 0.44536021298180434
Energy: 0.48047004422920797
Energy: 0.45520533183835393
Energy: 0.4379601720790431
Energy: 0.5123602631736468
Energy: 0.4556181025169672
Energy: 0.46148330955572175
Energy: 0.44829945292290335
Energy: 0.46101803317110485
Energy: 0.4849538151464725
Energy: 0.4561869308906451
Energy: 0.45760706205099305
Energy: 0.4461698170023999
Energy: 0.44195930776054954
Energy: 0.44199659274113734
Energy: 0.45272856939544814
Energy: 0.48417149109968255
Energy: 0.44864636001588676
Energy: 0.4418044477040134
Energy: 0.441964691020403
Energy: 0.45266653448840216
Energy: 0.44894183854009306
Energy: 0.43828343007327397
Energy: 0.4576770002917028
Energy: 0.4417783516345194
Energy: 0.4981516924200361
Energy: 0.5221382093262775
Energy: 0.4499915774887191
Energy: 0.4612226556545626
Energy: 0.44158268894229347
Energy: 0.4478080694852308
Energy: 0.5050428462495629
Energy: 0.4374889681041538
Energy: 0.4432660622176117
Energy: 0.4531192037247458
Energy: 0.4523939455416086
Energy: 0.47397078151091304
Energy: 0.4375120183746141
Energy: 0.4431678851365804
Energy: 0.45309824726278075
Energy: 0.447879878720073
Energy: 0.4723255130148057
Energy: 0.442315529441747
Energy: 0.443912049029252
Energy: 0.44332244400727344
Energy: 0.44979453410727593
Energy: 0.4456954088659043
Energy: 0.44211228725537605
Energy: 0.44186821942633386
Energy: 0.4427343248370118
Energy: 0.460113285455234
Energy: 0.44372116706542364
Energy: 0.46083220903680633
Energy: 0.4433783549563891
Energy: 0.47951122717283273
Energy: 0.444152841629135
Energy: 0.4601743648251222
Energy: 0.4688062241135473
Energy: 0.45469989353326934
Energy: 0.47153962246913195
Energy: 0.4583694445085985
Energy: 0.46830657463244724
Energy: 0.44421795059690034
Energy: 0.44919898043171447
Energy: 0.4839378519704217
Energy: 0.47284202869808095
Energy: 0.445567444498026
Energy: 0.4459662382345796
Energy: 0.44913500633607345
Energy: 0.5497763522783955
Energy: 0.4455676133750649
Energy: 0.4438542713175383
Energy: 0.44358592956468607
Energy: 0.4452621857320836
Energy: 0.4417556312037918
Energy: 0.47505565174393766
Energy: 0.44591759214668947
Energy: 0.44541319742737934
Energy: 0.43266232433584956
Energy: 0.441662478164959
Energy: 0.4527080957822756
Energy: 0.4442261279561514
Energy: 0.4944076363419654
Energy: 0.44690489636604336
Energy: 0.4551303476620374
Energy: 0.46515516915932487
Energy: 0.4960724296421945
Energy: 0.4629729447737231
Energy: 0.44596698854482447
Energy: 0.43303476261860147
Energy: 0.4674161215198952
Energy: 0.4921103324475998
Energy: 0.45122083885071373
Energy: 0.43619003019705205
Energy: 0.45678079819045414
Energy: 0.45268639635081415
Energy: 0.45263438285552515
Energy: 0.4487749136591402
Energy: 0.4685066142995469
Energy: 0.5131278774385466
Energy: 0.45156470836041823
Energy: 0.45247378113550113
Energy: 0.452161607034534
Energy: 0.4441753650541284
Energy: 0.46662020034618956
Energy: 0.47581078795088866
Energy: 0.43940591773841947
Energy: 0.43645715803005847
Energy: 0.44635971767033455
Energy: 0.4709972897102469
Energy: 0.4402339980520194
Energy: 0.45137008086414904
Energy: 0.43515286533112846
Energy: 0.4399518158006901
Energy: 0.4710273347963632
Energy: 0.45412574452811816
Energy: 0.4308930271849069
Energy: 0.4281261143263547
Energy: 0.43985398951387594
Energy: 0.4518808083689683
Energy: 0.4794594090791568
Energy: 0.4690386949616292

minimum gb energy = 0.4281261143263547 eV
minimum distance =  2.65410813403816 Angstroms
sigma value = 219


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

Energy: 0.7975677356425925
Energy: 0.571450263097652
Energy: 0.5758420326647864
Energy: 0.582856651988793
Energy: 0.555084471711223
Energy: 0.5549100713728229
Energy: 0.5705583160503828
Energy: 0.5902194825422461
Energy: 0.5702458566830242
Energy: 0.5647019917370343
Energy: 0.5553170997117147
Energy: 0.5780687827646399
Energy: 0.583134770049991
Energy: 0.5763027827984779
Energy: 0.5566306955965057
Energy: 0.5553201513080931
Energy: 0.5785419888679867
Energy: 0.5809169847573727
Energy: 0.5761665347218682
Energy: 0.556356085843381
Energy: 0.5762414971440245
Energy: 0.5754619466129921
Energy: 0.5795043832919864
Energy: 0.6030878882917111
Energy: 0.5516172206972555
Energy: 0.5764098667450408
Energy: 0.5756454089310595
Energy: 0.5804023292410448
Energy: 0.5565255481829507
Energy: 0.5523135291487159
Energy: 0.6331087511662873
Energy: 0.5907017339139431
Energy: 0.5759629318795648
Energy: 0.5555821499556526
Energy: 0.5520507383650136
Energy: 0.5864471901490462
Energy: 0.5909274568638552
Energy: 0.5761228451447403
Energy: 0.5572456672059174
Energy: 0.5528684795512796
Energy: 0.5550370009274368
Energy: 0.5565547125947861
Energy: 0.5874101925306691
Energy: 0.5553535403781837
Energy: 0.5679889108209392
Energy: 0.5551757821920823
Energy: 0.5889161473003756
Energy: 0.5876110779404417
Energy: 0.5555105443273954
Energy: 0.5746203803809098
Energy: 0.5555665412811596
Energy: 0.5572882119959088
Energy: 0.5980859222621969
Energy: 0.5849165925659479
Energy: 0.5571218905538236
Energy: 0.555426946092491
Energy: 0.5554540178646614
Energy: 0.5994783625444818
Energy: 0.5853784089289321
Energy: 0.5561219484203206
Energy: 0.5565345277731273
Energy: 0.5555932129712804
Energy: 0.5558590923787526
Energy: 0.5558239289006757
Energy: 0.5564670017497978
Energy: 0.5553144138050959
Energy: 0.5545466794440935
Energy: 0.5743384027474149
Energy: 0.5886945028836397
Energy: 0.5568784984617322
Energy: 0.5568808974572412
Energy: 0.5545837488833577
Energy: 0.5765261127836968
Energy: 0.5566147378411312
Energy: 0.5546528778950919
Energy: 0.5573643697363176
Energy: 0.5548324236213297
Energy: 0.5775728576513202
Energy: 0.5566781902233029
Energy: 0.5556265336230088
Energy: 0.5475034256039356
Energy: 0.5637752958346897
Energy: 0.5764264385339898
Energy: 0.5751904038764003
Energy: 0.5558421071622764
Energy: 0.5483719163015008
Energy: 0.5563563383424728
Energy: 0.5766120176247285
Energy: 0.5757728423082721
Energy: 0.5554441892156894

minimum gb energy = 0.5475034256039356 eV
minimum distance =  2.63814665665103 Angstroms
sigma value = 15


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

Energy: 0.947528811363099
Energy: 0.6613412892659952
Energy: 0.663587186382712
Energy: 0.6573619699958536
Energy: 0.6432179734998293
Energy: 0.6510616133173598
Energy: 0.6643971632991668
Energy: 0.6800736959714104
Energy: 0.6565671526216201
Energy: 0.6698815970427248
Energy: 0.6681500840848352
Energy: 0.647862553342735
Energy: 0.6767528373677394
Energy: 0.6740283074390814
Energy: 0.6585698551002148
Energy: 0.6703136987926156
Energy: 0.648621751355868
Energy: 0.6752670378061831
Energy: 0.6749521757828586
Energy: 0.6519033529965783
Energy: 0.6546259675042263
Energy: 0.6586520791489439
Energy: 0.6618357966919669
Energy: 0.671060711692474
Energy: 0.6400968438496479
Energy: 0.6417901898036346
Energy: 0.6577995414042771
Energy: 0.6647656096091648
Energy: 0.6874966683475147
Energy: 0.6520736089612009
Energy: 0.6864697778301567
Energy: 0.6567323709136089
Energy: 0.6463816223770226
Energy: 0.6538509736197274
Energy: 0.6861651632979363
Energy: 0.6859797081196549
Energy: 0.6562248999220643
Energy: 0.6469079742132662
Energy: 0.666297092546755
Energy: 0.6616984271592975
Energy: 0.6642422631707036
Energy: 0.6508041751571813
Energy: 0.660660841438329
Energy: 0.6790710583911707
Energy: 0.6539875055425529
Energy: 0.6613343668303755
Energy: 0.6517058122401457
Energy: 0.6551905829620074
Energy: 0.6736787581034127
Energy: 0.6560986414159325
Energy: 0.6563854545245652
Energy: 0.6693662231500589
Energy: 0.6902127652653554
Energy: 0.6763373233952182
Energy: 0.6573875348839505
Energy: 0.6567749683140306
Energy: 0.6657567309415277
Energy: 0.6823938301959147
Energy: 0.6753845869425
Energy: 0.6556385393710086
Energy: 0.6545030303947593
Energy: 0.6687004305318122
Energy: 0.6618230151308173
Energy: 0.6586147458569473
Energy: 0.673503315721185
Energy: 0.6855512405275875
Energy: 0.6686953870198473
Energy: 0.6603714225721267
Energy: 0.6604714527428202
Energy: 0.6683563165813738
Energy: 0.658626133835595
Energy: 0.6386610231150819
Energy: 0.6859264771668769
Energy: 0.6897408314366984
Energy: 0.6720651174027847
Energy: 0.6663307223233865
Energy: 0.6449226287554686
Energy: 0.6744588322955767
Energy: 0.6886345897216447
Energy: 0.6737222526494342
Energy: 0.641967019348088
Energy: 0.6767674777045525
Energy: 0.6720124232146231
Energy: 0.6587169225630172
Energy: 0.6800481536168173
Energy: 0.6530413844341748
Energy: 0.6749935362800611
Energy: 0.6733368288684775
Energy: 0.6599235301004037
Energy: 0.6862396435890706
Energy: 0.7136632829174051
Energy: 0.6539609437103395
Energy: 0.6699128033251301
Energy: 0.6615527317280895
Energy: 0.6558126314409283
Energy: 0.6716390811224693
Energy: 0.6531521485557724
Energy: 0.6692714077590691
Energy: 0.6601759413463436
Energy: 0.656307634153364
Energy: 0.6473115508701368
Energy: 0.6552585343463615
Energy: 0.6354252855492539
Energy: 0.6355141983303337
Energy: 0.6819007038298023
Energy: 0.6466969444448698
Energy: 0.6565129246820793
Energy: 0.6358698132738951
Energy: 0.6358417033363716
Energy: 0.6806823599869735
Energy: 0.6545509550346595
Energy: 0.6464777618841796
Energy: 0.6629372280129662
Energy: 0.6564687193482104
Energy: 0.6629462131883299
Energy: 0.6529140446838149
Energy: 0.6460456897159543
Energy: 0.6642227718863642
Energy: 0.6566033033942936
Energy: 0.6648918910876702
Energy: 0.6583731321161479
Energy: 0.6856313334954458
Energy: 0.6793764564949831
Energy: 0.6527180220306471
Energy: 0.6499677019656376
Energy: 0.6593672313105795
Energy: 0.6640453050220585
Energy: 0.6774993147764676
Energy: 0.6501760720867886
Energy: 0.652289487643995
Energy: 0.6504104157898634
Energy: 0.6753483765745446
Energy: 0.6446629333363534
Energy: 0.6613077235026897
Energy: 0.6365607322139758
Energy: 0.6515609990694652
Energy: 0.6750715023611845
Energy: 0.6638024119762808
Energy: 0.6617921707665734
Energy: 0.6702519000810031
Energy: 0.6585761002319442
Energy: 0.6623245500952978
Energy: 0.6726042493607586
Energy: 0.6799553336365651
Energy: 0.6506407789768524
Energy: 0.6598961990610868
Energy: 0.6651779405898298
Energy: 0.6713993992605382
Energy: 0.6524521618041997
Energy: 0.6713558187109357
Energy: 0.6731661432467455
Energy: 0.7113380680103055
Energy: 0.6645302762611226
Energy: 0.671910599050479
Energy: 0.6554975758595346
Energy: 0.6764946446174839
Energy: 0.7114030876494745
Energy: 0.6633541941364183
Energy: 0.6442156908252228
Energy: 0.6552475188625911
Energy: 0.6552689430090507
Energy: 0.6698331712733909
Energy: 0.6596297578801587
Energy: 0.6464066199882524
Energy: 0.6448752864717723
Energy: 0.6551192050148158
Energy: 0.6759605557812755
Energy: 0.6601679877023713
Energy: 0.6570998333439508
Energy: 0.6420333992909818
Energy: 0.6808805275819153
Energy: 0.6700170310746268
Energy: 0.6674910345794359
Energy: 0.663944035220031
Energy: 0.6470860513636852
Energy: 0.6796495852807877
Energy: 0.6698091158324204
Energy: 0.6656649272533616
Energy: 0.6567538171226133
Energy: 0.6473605559427915
Energy: 0.654476738671674
Energy: 0.6694207044391836
Energy: 0.6711588600867392
Energy: 0.6503276870012537
Energy: 0.6639036749458836
Energy: 0.6555435738784755
Energy: 0.6708617390326498
Energy: 0.6418346938967572
Energy: 0.6504312093553121
Energy: 0.6612085337038931
Energy: 0.6419767816105297
Energy: 0.6485662008052486
Energy: 0.6575987586291258
Energy: 0.6618758447852445
Energy: 0.6420929095543134
Energy: 0.6441916039109971
Energy: 0.6492474310448239
Energy: 0.6562621894363451
Energy: 0.6573884342894498
Energy: 0.6416738255951758
Energy: 0.7329321963760647
Energy: 0.6676433519184682
Energy: 0.6618309786676726
Energy: 0.6623388062065014
Energy: 0.6542604222023595
Energy: 0.6556168464899462
Energy: 0.66285473368178
Energy: 0.6591816892276565
Energy: 0.6626015708962006
Energy: 0.6367081479855004
Energy: 0.6544843668700275
Energy: 0.6800101660806246
Energy: 0.6710483083497614
Energy: 0.6606242546278746
Energy: 0.6451212695748666
Energy: 0.6539543421854495
Energy: 0.6778908329392663
Energy: 0.6703276409806515
Energy: 0.6618554114253627
Energy: 0.6477208044684023
Energy: 0.6482019437546724
Energy: 0.6571684451034973
Energy: 0.6741867380796126
Energy: 0.6772097831842937
Energy: 0.6389726896862371
Energy: 0.6514524295637092
Energy: 0.6574785487087843
Energy: 0.6768737046936549
Energy: 0.6782316926077409
Energy: 0.6746525870537448
Energy: 0.6595418708199478
Energy: 0.6818610329626432
Energy: 0.6843040448396497
Energy: 0.6511839414496288
Energy: 0.6518311969360523
Energy: 0.6832648489827134
Energy: 0.6797617200628542
Energy: 0.6651308331591844
Energy: 0.6446425064132095
Energy: 0.6400824057811407
Energy: 0.6751799198202458
Energy: 0.6559741979486655
Energy: 0.6801880626765369
Energy: 0.64055853178301
Energy: 0.6474851913761956
Energy: 0.6742298068825663
Energy: 0.6574471358470925
Energy: 0.6904047587868943
Energy: 0.6404857254616372
Energy: 0.6535509680247295
Energy: 0.671671149346885
Energy: 0.6632725529375176
Energy: 0.6542593902152186
Energy: 0.670446863477573
Energy: 0.655109204785244
Energy: 0.6707209556187402
Energy: 0.6688853634484021
Energy: 0.6548396437501934
Energy: 0.6706986539222378
Energy: 0.6537542908926068
Energy: 0.6430724170421477
Energy: 0.6361395569018891
Energy: 0.6469172897178836
Energy: 0.6513711957026599
Energy: 0.647427807857524
Energy: 0.6357520659397634
Energy: 0.6356310292222506
Energy: 0.6473698896613431
Energy: 0.649844718504225
Energy: 0.6481114059032854
Energy: 0.6700552707110737
Energy: 0.6393464588292408
Energy: 0.6513388056038261
Energy: 0.6573211183389648
Energy: 0.6514205634510901
Energy: 0.6556210026281737
Energy: 0.6385968891147484
Energy: 0.6531657895564557
Energy: 0.6545018286967997
Energy: 0.6500449044407652
Energy: 0.64276153433926
Energy: 0.6477647698917793
Energy: 0.6461893788597528
Energy: 0.6607267287980013
Energy: 0.6565185370374346
Energy: 0.6520619471832324
Energy: 0.647711837829415
Energy: 0.6461356241306517
Energy: 0.6637889814686874
Energy: 0.6565675415640965
Energy: 0.6474031241987476
Energy: 0.6604492436072988
Energy: 0.6417763869269556
Energy: 0.6493259362716024
Energy: 0.658569646270095
Energy: 0.6524201121418675
Energy: 0.6617604288621164
Energy: 0.6385928673954154
Energy: 0.6497897530839111
Energy: 0.6638476861535908
Energy: 0.6576584950840613
Energy: 0.6750571625350487
Energy: 0.6473470518718301
Energy: 0.6641399503721526
Energy: 0.6511128847186699
Energy: 0.6589839225092541
Energy: 0.6762715281533032
Energy: 0.7304956264146515
Energy: 0.663622752223997
Energy: 0.6613759984216283
Energy: 0.6466942398459113
Energy: 0.6698884462262654
Energy: 0.661520871476751
Energy: 0.6800700722758436
Energy: 0.6717971520649554
Energy: 0.6457355786459432
Energy: 0.6701764503518222
Energy: 0.6635491385041208
Energy: 0.6744886627614782
Energy: 0.7078534691032492
Energy: 0.679301142823689
Energy: 0.6472332685078895
Energy: 0.6413205827054381
Energy: 0.6447124325433642
Energy: 0.6699323330971271
Energy: 0.6809240769845815
Energy: 0.6464321385621593
Energy: 0.6776792703167168
Energy: 0.6577377811191264
Energy: 0.6632475670053078
Energy: 0.6571434894122121
Energy: 0.6464404655818502
Energy: 0.6703653623070848
Energy: 0.6746829896577219
Energy: 0.6719233332738659
Energy: 0.6565430062481036
Energy: 0.6441339203144341
Energy: 0.6680994432207563
Energy: 0.6748085687722596
Energy: 0.6703091746368424
Energy: 0.6708676227115702
Energy: 0.6534782707034077
Energy: 0.6583354038334066
Energy: 0.6605639145361993
Energy: 0.6737389506238161
Energy: 0.6687035882629442
Energy: 0.6649185619477292
Energy: 0.6600345593876105
Energy: 0.6619500053526497
Energy: 0.6677802968732398
Energy: 0.7003697235391545
Energy: 0.6894172647270843
Energy: 0.6417857292677075
Energy: 0.6414772736880426
Energy: 0.6829724644295916
Energy: 0.6547795480706171
Energy: 0.6585551759441163
Energy: 0.6417159286425221
Energy: 0.6417182815733582
Energy: 0.681398570712308
Energy: 0.6700739672348462
Energy: 0.6408751659516053
Energy: 0.6590066927102444
Energy: 0.6501301165724946
Energy: 0.6367838760958918
Energy: 0.6834079742017086
Energy: 0.6543083204160673
Energy: 0.6414705375146237
Energy: 0.7342800229730934
Energy: 0.6366477737164921
Energy: 0.6750307349038458
Energy: 0.6612916594326339
Energy: 0.6592455307364397
Energy: 0.6618723665906626
Energy: 0.682094100067621
Energy: 0.6724165050414764
Energy: 0.6603070407410064
Energy: 0.6582704675210581
Energy: 0.6534807739942898
Energy: 0.6812214913727703
Energy: 0.6707575016772237
Energy: 0.6751767634885705
Energy: 0.6889778023882946
Energy: 0.6456259494431089
Energy: 0.6569023856036522
Energy: 0.6721385398790665
Energy: 0.6750222499941329
Energy: 0.6685525416810676
Energy: 0.6417404099671443
Energy: 0.6605016603335625
Energy: 0.6595571834241455
Energy: 0.6586306370481859
Energy: 0.6737606429499986
Energy: 0.7042451035925149
Energy: 0.6751383719017561
Energy: 0.6656556648570667
Energy: 0.6601664297189702
Energy: 0.6771321452640802
Energy: 0.6844832614366833
Energy: 0.6750739839224019
Energy: 0.6854027528416662
Energy: 0.6747486136095308
Energy: 0.6611346008904398
Energy: 0.6703600403410828
Energy: 0.6599808088818714
Energy: 0.6873724573396146
Energy: 0.6753662849454322
Energy: 0.6652579579000558
Energy: 0.6698270943757829
Energy: 0.6597729785469062
Energy: 0.6597532655376777
Energy: 0.6655934704328228
Energy: 0.6668386956770535
Energy: 0.677719013280328
Energy: 0.6598220450112389
Energy: 0.6511700016224717
Energy: 0.6747528386153738
Energy: 0.6673165876438706
Energy: 0.6765149633018888
Energy: 0.6605648728877419
Energy: 0.6843170774632856
Energy: 0.6506476227069667
Energy: 0.6473516663332182
Energy: 0.6644363468249688
Energy: 0.6413680336464042
Energy: 0.6793048187498983
Energy: 0.6613652772310533
Energy: 0.6477420171794965
Energy: 0.664567184046127
Energy: 0.6559070129821043
Energy: 0.6570046462841709
Energy: 0.6629515065249031
Energy: 0.6459288947703894
Energy: 0.6478062387970537
Energy: 0.642471795433626
Energy: 0.6494913216494816
Energy: 0.6648517074125345
Energy: 0.6464939024278749
Energy: 0.6478616132242727
Energy: 0.6408195374322188
Energy: 0.6488185963183781
Energy: 0.6544531326861043
Energy: 0.6559455746342094
Energy: 0.6402670051343317
Energy: 0.6544965885838433
Energy: 0.6512751795586705
Energy: 0.6573958730159121
Energy: 0.6521101154832241
Energy: 0.6401461594434833
Energy: 0.6548041073912644
Energy: 0.6476845401510067
Energy: 0.6497609459157297
Energy: 0.6475310891583468
Energy: 0.6855797231551476
Energy: 0.6394441321298863
Energy: 0.6470916707541994
Energy: 0.6696729187414698
Energy: 0.6471400795953721
Energy: 0.6913102466768786
Energy: 0.6394777612654505
Energy: 0.6552264963517764
Energy: 0.6501272831735234
Energy: 0.664056356362534
Energy: 0.6665368839337947
Energy: 0.6705734150931204
Energy: 0.6521185607237064
Energy: 0.6536706255290003
Energy: 0.6616551342513102
Energy: 0.6646314223458089
Energy: 0.6715709592856673
Energy: 0.6472060428697477
Energy: 0.6405968420678414
Energy: 0.6737654866123923
Energy: 0.6575002780889314
Energy: 0.6754982157536308
Energy: 0.6474822847969581
Energy: 0.645885081185903
Energy: 0.6905076085473681
Energy: 0.6571354083744836
Energy: 0.6724446064912403
Energy: 0.6568554030137068
Energy: 0.6555104110607441
Energy: 0.6646729863709654
Energy: 0.6743366597619972
Energy: 0.6767103939174121
Energy: 0.6987241290295345
Energy: 0.6537246035236877
Energy: 0.664195067007766
Energy: 0.6750110310512987
Energy: 0.6731414217395894

minimum gb energy = 0.6354252855492539 eV
minimum distance =  2.59583818018927 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

Energy: 0.8940384706898348
Energy: 0.6465837600634606
Energy: 0.66363532800586
Energy: 0.6491492785831419
Energy: 0.6341356985825368
Energy: 0.6284394253361351
Energy: 0.645926297347475
Energy: 0.6487347197458437
Energy: 0.6498954734274716
Energy: 0.633886039162559
Energy: 0.650596662871542
Energy: 0.6407985773461278
Energy: 0.6670622144084153
Energy: 0.6625048648906383
Energy: 0.6584016364806111
Energy: 0.6507009340154934
Energy: 0.6412475168123792
Energy: 0.6657185085842046
Energy: 0.661431026147198
Energy: 0.6458048522292699
Energy: 0.6583067947980499
Energy: 0.6550509399213281
Energy: 0.6471726622687276
Energy: 0.6594348148587508
Energy: 0.6417161382619545
Energy: 0.6523844490641626
Energy: 0.6543721749079352
Energy: 0.6485151241759827
Energy: 0.6820230220089548
Energy: 0.6410395270883382
Energy: 0.6801400442803601
Energy: 0.6673193075251205
Energy: 0.6316613065331589
Energy: 0.6523117958007859
Energy: 0.699472674713493
Energy: 0.6795770225148396
Energy: 0.6512256399435872
Energy: 0.6319912562001293
Energy: 0.6531621880418627
Energy: 0.6468378606481189
Energy: 0.6575798739339666
Energy: 0.6348163053980244
Energy: 0.6393170071597644
Energy: 0.6556254014208238
Energy: 0.6450235832797617
Energy: 0.6582018045334428
Energy: 0.6338811827671013
Energy: 0.639854080022057
Energy: 0.65608831958859
Energy: 0.6448941741589712
Energy: 0.6543273122320872
Energy: 0.6517408078875965
Energy: 0.6627569998588297
Energy: 0.6637082905441956
Energy: 0.6547934300331432
Energy: 0.6547702094420857
Energy: 0.6502919049940833
Energy: 0.6622859413073049
Energy: 0.6639777937917838
Energy: 0.6354599859302204
Energy: 0.6434857291405927
Energy: 0.7191053950676539
Energy: 0.6453573488532193
Energy: 0.648540864042246
Energy: 0.6558651233429894
Energy: 0.6588863864887063
Energy: 0.7180184340762196
Energy: 0.6480750302104891
Energy: 0.649100984817741
Energy: 0.6564028520299205
Energy: 0.6796438748779214
Energy: 0.6410780142413427
Energy: 0.6780563775073208
Energy: 0.6865970682546519
Energy: 0.6560876557767854
Energy: 0.6787856097875805
Energy: 0.6511138988138542
Energy: 0.6693618924394853
Energy: 0.6859734468449156
Energy: 0.653907836526742
Energy: 0.6474357397453223
Energy: 0.684083430939957
Energy: 0.6814317327674454
Energy: 0.6483694370906489
Energy: 0.6556030487832202
Energy: 0.6474043531680803
Energy: 0.6815265229448447
Energy: 0.6837141033463299
Energy: 0.6463357808007181
Energy: 0.6577609610014911
Energy: 0.6580781808955498
Energy: 0.6422120492727563
Energy: 0.6780803069694288
Energy: 0.6458156946538516
Energy: 0.6522946140060301
Energy: 0.6618306659081483
Energy: 0.6419489744509165
Energy: 0.6726237049689684
Energy: 0.6447464935489136
Energy: 0.6533521376432673
Energy: 0.6505941561950541
Energy: 0.6505385356739727
Energy: 0.6847878651940646
Energy: 0.6276169917489273
Energy: 0.6634518476979735
Energy: 0.6499471659651125
Energy: 0.646640926624802
Energy: 0.6834880065833024
Energy: 0.6275114560099101
Energy: 0.662844501377377
Energy: 0.6358214428947261
Energy: 0.6624465639987566
Energy: 0.6466055101427557
Energy: 0.6554175235063356
Energy: 0.6513674639835211
Energy: 0.6361149618351442
Energy: 0.6625631947591731
Energy: 0.6485095282279754
Energy: 0.6548593171701048
Energy: 0.6575377868413862
Energy: 0.6501677199764436
Energy: 0.6801492082218717
Energy: 0.6449333821588081
Energy: 0.6581129809811266
Energy: 0.6458482637162375
Energy: 0.6584705348458038
Energy: 0.6875016471795513
Energy: 0.6452966486265042
Energy: 0.6583117717779273
Energy: 0.6445659873585714
Energy: 0.6535660689221726
Energy: 0.6416310172544013
Energy: 0.6850208366919989
Energy: 0.6793294743867867
Energy: 0.631786600073861
Energy: 0.6535874722521783
Energy: 0.6461493408807986
Energy: 0.6866087571245079
Energy: 0.6805179856803745
Energy: 0.6702763300433341
Energy: 0.6431761569939187
Energy: 0.6502912689666422
Energy: 0.6547416521597917
Energy: 0.659972299381016
Energy: 0.6311269808602756
Energy: 0.6795223862736801
Energy: 0.649662235496348
Energy: 0.6550403502028472
Energy: 0.659438934292568
Energy: 0.6705098609277299
Energy: 0.6619973160621948
Energy: 0.6643709160238557
Energy: 0.6440862731535053
Energy: 0.6793103858740668
Energy: 0.6447120596640767
Energy: 0.6620188156030085
Energy: 0.6648598629099715
Energy: 0.6428963534976486
Energy: 0.6538127202620555
Energy: 0.6451118540285383
Energy: 0.6505272661050705
Energy: 0.6512717264352315
Energy: 0.664368504471444
Energy: 0.6319909608897086
Energy: 0.6506085554402165
Energy: 0.6495894218614504
Energy: 0.6516724642612269
Energy: 0.6646683336780568
Energy: 0.6488054086313932
Energy: 0.6501389524013421
Energy: 0.6616243612166787
Energy: 0.6848536423854595
Energy: 0.662300999970264
Energy: 0.6580772241961815
Energy: 0.6649663870428436
Energy: 0.6869803518135303
Energy: 0.6849604329138635
Energy: 0.6847756005014453
Energy: 0.641248778433095
Energy: 0.6635234833767685
Energy: 0.6516230638912088
Energy: 0.6481965371751756
Energy: 0.6527086222144574
Energy: 0.6487049153219377
Energy: 0.6777925724861004
Energy: 0.6503220250546736
Energy: 0.6395194874884886
Energy: 0.638856942094309
Energy: 0.6500789571169994
Energy: 0.6778482520713989
Energy: 0.6454692845976095
Energy: 0.6453159626407244
Energy: 0.6528288899769235
Energy: 0.6641609222783936
Energy: 0.664650481798892
Energy: 0.6455486491827434
Energy: 0.6415916690765018
Energy: 0.6639679367549305
Energy: 0.663469845929041
Energy: 0.6638608455425309
Energy: 0.6364336779263036
Energy: 0.6637066381262883
Energy: 0.6539102260625442
Energy: 0.6484634012912299
Energy: 0.6334216238396383
Energy: 0.6352012564633718
Energy: 0.6639095268061381
Energy: 0.6518496873746429
Energy: 0.6492705244652037
Energy: 0.633295829815178
Energy: 0.650785725336575
Energy: 0.6408493377264295
Energy: 0.6644586056795501
Energy: 0.662073509222678
Energy: 0.6463112958817763
Energy: 0.6508738161622648
Energy: 0.6410221758860035
Energy: 0.664428167492395
Energy: 0.6620659034673059
Energy: 0.6447098229376718
Energy: 0.6573196372066695
Energy: 0.655996396630605
Energy: 0.6476740566893079
Energy: 0.6797503701784514
Energy: 0.6415240882318521
Energy: 0.6578430602745098
Energy: 0.6548335079185762
Energy: 0.6493373155526914
Energy: 0.6792523609460551
Energy: 0.6424418652829345
Energy: 0.6576550655028651
Energy: 0.640395362337566
Energy: 0.6333741362912599
Energy: 0.6518149076784817
Energy: 0.6578790580156451
Energy: 0.6872858716419086
Energy: 0.6415135172925042
Energy: 0.6332064007424029
Energy: 0.6527676556080075
Energy: 0.6620806828317247
Energy: 0.6583765040085088
Energy: 0.6318337793111419
Energy: 0.6506611834926951
Energy: 0.6558343260118564
Energy: 0.6449899010126703
Energy: 0.6609477905076676
Energy: 0.6323436800472498
Energy: 0.6656251560201765
Energy: 0.6570284198915052
Energy: 0.6446019961945029
Energy: 0.6551698487656846
Energy: 0.650781247552142
Energy: 0.6625682628166188
Energy: 0.6608661116552434
Energy: 0.6598550030586208
Energy: 0.6548661115573536
Energy: 0.6499182159598038
Energy: 0.6620649657173504
Energy: 0.6611900435243111
Energy: 0.6574906996539721
Energy: 0.6685472034602521
Energy: 0.7184391301717435
Energy: 0.6651585263254638
Energy: 0.6490898772754953
Energy: 0.6611775130853572
Energy: 0.6491143365024147
Energy: 0.6326206094554113
Energy: 0.6513806380993346
Energy: 0.6495593839091749
Energy: 0.6618994579707895
Energy: 0.6888052043195052
Energy: 0.653964565032688
Energy: 0.6414716869294488
Energy: 0.6853294868142772
Energy: 0.6784507910293873
Energy: 0.6449377741788719
Energy: 0.6799183517062136
Energy: 0.6424574270760427
Energy: 0.6859357652887008
Energy: 0.6623000082786659
Energy: 0.6475117523154782
Energy: 0.6625714987617545
Energy: 0.6799130816251737
Energy: 0.6639323172101138
Energy: 0.6494193653675254
Energy: 0.6641184619565818
Energy: 0.6828889805582286
Energy: 0.6807693303593427
Energy: 0.6472876974142209
Energy: 0.6794068281790716
Energy: 0.6538422018353842
Energy: 0.6686314865036268
Energy: 0.6763793787306279
Energy: 0.6509272933814308
Energy: 0.6522486317991438
Energy: 0.6478233036303866
Energy: 0.6688553290772625
Energy: 0.6727931859897848
Energy: 0.6484844668378029
Energy: 0.6532754005608009
Energy: 0.6506722784264343
Energy: 0.6450882654025593
Energy: 0.6306393070649311
Energy: 0.656062018312447
Energy: 0.6574868609045679
Energy: 0.6494207217658402
Energy: 0.6439341970303409
Energy: 0.6295876010830458
Energy: 0.6561945818206382
Energy: 0.656989814082607
Energy: 0.6641605198758945
Energy: 0.662496302192933
Energy: 0.6481501295514241
Energy: 0.6563654525454156
Energy: 0.6423816934547721
Energy: 0.6646501316860413
Energy: 0.6625934156621752
Energy: 0.6491650627700477
Energy: 0.6552127592934099
Energy: 0.6433535772026316
Energy: 0.6505227031374925
Energy: 0.661010122737161
Energy: 0.6462891790379397
Energy: 0.6587074325295583
Energy: 0.6446443892129445
Energy: 0.6586812757858196
Energy: 0.6603391488480486
Energy: 0.6460302680969289
Energy: 0.6586469344478103
Energy: 0.6446207296366719
Energy: 0.6315934473617564
Energy: 0.6376018556626856
Energy: 0.6567474164036031
Energy: 0.6801429765787287
Energy: 0.6320026246464653
Energy: 0.6527466786643167
Energy: 0.6489570451956789
Energy: 0.6745574269479354
Energy: 0.6795823125119663
Energy: 0.6967822178357561
Energy: 0.6785175851258507
Energy: 0.6508742200233945
Energy: 0.6535221383414253
Energy: 0.660552595464013
Energy: 0.670808842407731
Energy: 0.6594241910124801
Energy: 0.6493888429966254
Energy: 0.6535366270293282
Energy: 0.6558459258343925
Energy: 0.6318172100907214
Energy: 0.6618409552105452
Energy: 0.6635076043673743
Energy: 0.6416029160806621
Energy: 0.680168369330634
Energy: 0.6458097004841559
Energy: 0.66165844528145
Energy: 0.6650670776748554
Energy: 0.6433074801749159
Energy: 0.6534750469058844
Energy: 0.6904671878364727
Energy: 0.6513513011606804
Energy: 0.6482209765742531
Energy: 0.6647694609258994
Energy: 0.6327316644456459
Energy: 0.6487200810749298
Energy: 0.6503282251013268
Energy: 0.6482265524244982
Energy: 0.665444456151316
Energy: 0.7184157969184181
Energy: 0.6321503621438795
Energy: 0.6524921879023714
Energy: 0.6858017740558021
Energy: 0.6783555780324603
Energy: 0.6505465287433917
Energy: 0.679133685353354
Energy: 0.6779882661751372
Energy: 0.6855186470404998
Energy: 0.6787422911596936
Energy: 0.6510120417627091
Energy: 0.6807879483460949
Energy: 0.6508164511154075
Energy: 0.6363437083129309
Energy: 0.6868577837182153
Energy: 0.6495970912208926
Energy: 0.6793289972489328
Energy: 0.6508969382569915
Energy: 0.63532163064001
Energy: 0.6704654668400097
Energy: 0.6517997812788183
Energy: 0.6797000006426777
Energy: 0.6292673599988958
Energy: 0.6492037965254045
Energy: 0.650656395777166
Energy: 0.6661979019005306
Energy: 0.6418267051915724
Energy: 0.6637348860682436
Energy: 0.6480744249106785
Energy: 0.6516753137718042
Energy: 0.6668688910403034
Energy: 0.6379735441209217

minimum gb energy = 0.6275114560099101 eV
minimum distance =  2.60803683125031 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.6200280455771507
Energy: 0.6308263793629778
Energy: 0.632235055719168
Energy: 0.6500588831101155
Energy: 0.6180843484595577
Energy: 0.6195483667886253
Energy: 0.6315805654555148
Energy: 0.6296468234073165
Energy: 0.6495135841977737
Energy: 0.6178728740001307
Energy: 0.658547181836201
Energy: 0.6291521731164736
Energy: 0.6250235084494723
Energy: 0.6337274433361307
Energy: 0.6473605950346061
Energy: 0.6462065504141533
Energy: 0.6283782829721254
Energy: 0.6249211532428772
Energy: 0.6345816117510232
Energy: 0.6480733628867249
Energy: 0.6337724839977874
Energy: 0.6373513934921569
Energy: 0.629579109654561
Energy: 0.6361422491136194
Energy: 0.64559688971941
Energy: 0.6336317856279183
Energy: 0.6346418846900322
Energy: 0.6296528408913966
Energy: 0.6403460484654868
Energy: 0.6314089674754524
Energy: 0.6359564120356755
Energy: 0.6231684278033451
Energy: 0.6182759180001172
Energy: 0.6332675978546247
Energy: 0.628963066633763
Energy: 0.6361752717149314
Energy: 0.6216465734416535
Energy: 0.6179886622067644
Energy: 0.6336132744942364
Energy: 0.6220327568742916
Energy: 0.6494714104170308
Energy: 0.6197224393525612
Energy: 0.6225768650975076
Energy: 0.6388017024881149
Energy: 0.6329824168639274
Energy: 0.6468339807760696
Energy: 0.6193707738710538
Energy: 0.6230910830793073
Energy: 0.6307848690146718
Energy: 0.6327214099045467
Energy: 0.6336230294369353
Energy: 0.6350672174244196
Energy: 0.6338786235987597
Energy: 0.6267520796496752
Energy: 0.6237460084648606
Energy: 0.6342902887234
Energy: 0.6358156740625883
Energy: 0.6491270090009369
Energy: 0.6281295714968635
Energy: 0.6234436200813488
Energy: 0.6333801303728019
Energy: 0.6161510614984379
Energy: 0.6326176928977626
Energy: 0.6299875905712562
Energy: 0.644103522141037
Energy: 0.6317297078968792
Energy: 0.6150917400492595
Energy: 0.6323279751055774
Energy: 0.6306907509509002
Energy: 0.629108116099513
Energy: 0.6479570201722902
Energy: 0.6267865046007555
Energy: 0.6358037713734628
Energy: 0.6215351092133045
Energy: 0.6203125438410136
Energy: 0.648283056139413
Energy: 0.6281541526981176
Energy: 0.6350888679426099
Energy: 0.6214992518257926
Energy: 0.6183410485357548
Energy: 0.6299149832493585
Energy: 0.6257454962058929
Energy: 0.6332342417319577
Energy: 0.6193143038306506
Energy: 0.6292468873656604
Energy: 0.6300219298704721
Energy: 0.6332346355656013
Energy: 0.6322405407521193
Energy: 0.6201868864654628
Energy: 0.6289296935821885
Energy: 0.628410516771613
Energy: 0.6303866911261868
Energy: 0.6275670518912927
Energy: 0.6590515127508416
Energy: 0.6499660653616159
Energy: 0.6299083173629206
Energy: 0.6322377690218335
Energy: 0.6264854458548219
Energy: 0.65191140109877
Energy: 0.6389247964265533
Energy: 0.6222538842425157
Energy: 0.6473703881894176
Energy: 0.6496113713756395
Energy: 0.6337605581705286
Energy: 0.6308902427062113
Energy: 0.6221387835848635
Energy: 0.6468253168566592
Energy: 0.6217279357416697
Energy: 0.6338915656353908
Energy: 0.6289887022427048
Energy: 0.6202342012685793
Energy: 0.6312641139319224
Energy: 0.6471772176255209
Energy: 0.649874548880262
Energy: 0.6180919768842424
Energy: 0.6198103770863597
Energy: 0.6480133408095108
Energy: 0.6345865976548815
Energy: 0.6491849187006608
Energy: 0.6180969569457875
Energy: 0.6289515233231271
Energy: 0.6290164668807475
Energy: 0.6245740115440312
Energy: 0.6336215698970676
Energy: 0.6476159992972401
Energy: 0.6470748559805946
Energy: 0.6283207344481223
Energy: 0.6249614398406168
Energy: 0.6340456274301186
Energy: 0.6507487978093338
Energy: 0.6339027754540157
Energy: 0.6379731625024817
Energy: 0.6299029743977727
Energy: 0.6353372551205585
Energy: 0.6475971922979398
Energy: 0.6338455128606387
Energy: 0.634843442225733
Energy: 0.6297923579174842
Energy: 0.6309379732544429
Energy: 0.6314680466786676
Energy: 0.63769002286714
Energy: 0.6233313736702234
Energy: 0.6181507435662016
Energy: 0.6329778932775293
Energy: 0.6292968095986238
Energy: 0.6389381034274522
Energy: 0.6221387707065502
Energy: 0.6181287975503617
Energy: 0.6337079957979076
Energy: 0.6345127182506021
Energy: 0.6499138067656122
Energy: 0.6194555256838783
Energy: 0.6215106486692394
Energy: 0.6465232078842436
Energy: 0.6327290521442345
Energy: 0.6334142393980567
Energy: 0.6188251935892417
Energy: 0.6209488943789645
Energy: 0.6308098630641946
Energy: 0.6324612567096878
Energy: 0.633299810786077
Energy: 0.6295337788342018
Energy: 0.6328125919325102
Energy: 0.6246238969976761
Energy: 0.6240473885521775
Energy: 0.6342265268010184
Energy: 0.6311021164689061
Energy: 0.6488605085169362
Energy: 0.627996649698064
Energy: 0.6237798777784216
Energy: 0.6334561984042196
Energy: 0.616233363335681
Energy: 0.6327527922392843
Energy: 0.6306258961027706
Energy: 0.643119797100081
Energy: 0.6336960606464292
Energy: 0.6151346636365097
Energy: 0.6323514348437641
Energy: 0.6311417768998614
Energy: 0.6457992794446733
Energy: 0.6479810511892773
Energy: 0.6265619672268193
Energy: 0.6352593463337111
Energy: 0.6208835797037326
Energy: 0.6182007102306695
Energy: 0.6496076246487492
Energy: 0.626531577635258
Energy: 0.634301453505887
Energy: 0.6212595836077007
Energy: 0.6184161755673123
Energy: 0.6296627572348165
Energy: 0.6254199768600125
Energy: 0.6329323423577703
Energy: 0.6199981866341071
Energy: 0.6295676646981063
Energy: 0.6291509436596514
Energy: 0.6331917134474536
Energy: 0.6323835405465116
Energy: 0.6213389321656325
Energy: 0.6318299766057291
Energy: 0.6281533444556386
Energy: 0.6301786951511392
Energy: 0.6268874894910011
Energy: 0.6556803676702948
Energy: 0.6496056402812883
Energy: 0.6300688647209634
Energy: 0.6300272168627752
Energy: 0.6266300255544835
Energy: 0.6508018960435284
Energy: 0.6314273998727594
Energy: 0.6226572010360684
Energy: 0.6327659381871973
Energy: 0.6498984140010575
Energy: 0.6302991408603831
Energy: 0.6279875442464786
Energy: 0.6226603251774995
Energy: 0.6328619693321026
Energy: 0.6215546405351615
Energy: 0.6311484924870718
Energy: 0.6289778063262422

minimum gb energy = 0.6150917400492595 eV
minimum distance =  2.61791899092389 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.0159446761653277
Energy: 0.7107266365324848
Energy: 0.6937364460361062
Energy: 0.6760516869801996
Energy: 0.6849080511183617
Energy: 0.6700979979104006
Energy: 0.7042643678646636
Energy: 0.6434512598872345
Energy: 0.6769504317155539
Energy: 0.6840055836641699
Energy: 0.641487561382141
Energy: 0.6861373345845377
Energy: 0.6808305398896823
Energy: 0.6893422457150611
Energy: 0.6546631346172372
Energy: 0.6352437114839891
Energy: 0.6905835980994898
Energy: 0.6820929202741411
Energy: 0.6983319863754648
Energy: 0.6549678675736601
Energy: 0.6972053840057614
Energy: 0.6880592169177463
Energy: 0.6953124712647542
Energy: 0.6621920528430288
Energy: 0.6479398138051241
Energy: 0.6822666427001879
Energy: 0.6731871933488055
Energy: 0.700151691460099
Energy: 0.6524908188676337
Energy: 0.7228784764941828
Energy: 0.6553309293351952
Energy: 0.6475823654592403
Energy: 0.670310469668736
Energy: 0.7019358184474757
Energy: 0.7255619139759469
Energy: 0.6592757076670837
Energy: 0.6477779768071034
Energy: 0.6404159147901737
Energy: 0.7001930647125864
Energy: 0.7232092375683916
Energy: 0.7289389523517158
Energy: 0.6808159088669363
Energy: 0.654963300047967
Energy: 0.6826132664512373
Energy: 0.7088642245505741
Energy: 0.7245099645728399
Energy: 0.6444027445677496
Energy: 0.6555720198159299
Energy: 0.682272039128924
Energy: 0.6371013676399612
Energy: 0.6458509722993311
Energy: 0.6449222605234749
Energy: 0.644503509095685
Energy: 0.6812821495617707
Energy: 0.7423964718511201
Energy: 0.6659325903128995
Energy: 0.644827699341393
Energy: 0.6442337170232806
Energy: 0.7033167324551259
Energy: 0.75498548334808
Energy: 0.6457196795351512
Energy: 0.6425109985072796
Energy: 0.6462561582313282
Energy: 0.6535855317481756
Energy: 0.6882176695831199
Energy: 0.6458396117733974
Energy: 0.6409071819884816
Energy: 0.6474982283621434
Energy: 0.6394037811235181
Energy: 0.655515158758529
Energy: 0.6503783117134366
Energy: 0.639774531869932
Energy: 0.6421317684826081
Energy: 0.6453291880008857
Energy: 0.6796883626744565
Energy: 0.6509829293455393
Energy: 0.6399665221320832
Energy: 0.6528813927652044
Energy: 0.6779039107788054
Energy: 0.6950743979853037
Energy: 0.6553162212437614
Energy: 0.7392704484192129
Energy: 0.6861374040580354
Energy: 0.6682657002217365
Energy: 0.6403721559233096
Energy: 0.6528591424370783
Energy: 0.7377379474463364
Energy: 0.6852018798078232
Energy: 0.6870895793014391
Energy: 0.6591465039174889
Energy: 0.6867508743699774
Energy: 0.6836385858863744
Energy: 0.6380054600201165
Energy: 0.6326496503231727
Energy: 0.6572444626837277
Energy: 0.657285560425539
Energy: 0.6533135047559756
Energy: 0.6375734893546872
Energy: 0.6339356264898676
Energy: 0.6574504321310884
Energy: 0.6530277148061745
Energy: 0.6649106351578519
Energy: 0.6587467621923376
Energy: 0.651024527719792
Energy: 0.6418728114370494
Energy: 0.6958281435089522
Energy: 0.6632540215114122
Energy: 0.6571926983438018
Energy: 0.6542862480865852
Energy: 0.6436498348923425
Energy: 0.7595724329677322
Energy: 0.6784271482286145
Energy: 0.658883243868424
Energy: 0.6317417202972943
Energy: 0.6892812518148604
Energy: 0.7561062767196478
Energy: 0.6797439900232005
Energy: 0.6577849492024938
Energy: 0.6338116217642369
Energy: 0.6851601849554042
Energy: 0.7114218250364294
Energy: 0.682138431898385
Energy: 0.6935951942102572
Energy: 0.6603701486477105
Energy: 0.6769686776079262
Energy: 0.6613527891758062
Energy: 0.6954584372240463
Energy: 0.6948055140456642
Energy: 0.6710131384842934
Energy: 0.6949747409760627
Energy: 0.6928452846057428
Energy: 0.6924764002110221
Energy: 0.633556609600577
Energy: 0.6766747899291075
Energy: 0.677635652059946
Energy: 0.6926693393262735
Energy: 0.685265736509913
Energy: 0.6285919570389209
Energy: 0.6841542287607241
Energy: 0.6760025960733106
Energy: 0.6560847106813613
Energy: 0.660865154060527
Energy: 0.7132786180041268
Energy: 0.6858925502645293
Energy: 0.6825043824871359
Energy: 0.6564869246823234
Energy: 0.6625523679191526
Energy: 0.7104616552057217
Energy: 0.6860409838587472
Energy: 0.6820779471102074
Energy: 0.737753985200913
Energy: 0.725365550218488
Energy: 0.679367760568953
Energy: 0.6629329559326266
Energy: 0.662576492853461
Energy: 0.7364284771517178
Energy: 0.7254787409369636
Energy: 0.6785131506993495
Energy: 0.6634948769401158
Energy: 0.6344744067001731
Energy: 0.649906558023143
Energy: 0.6934074911246462
Energy: 0.7327207280342725
Energy: 0.6761946729906416
Energy: 0.6805906210031923
Energy: 0.6493169326619449
Energy: 0.693325837192709
Energy: 0.7491348170605792
Energy: 0.6802596503583692
Energy: 0.6955464382990991
Energy: 0.6473215039431175
Energy: 0.7337404749418807
Energy: 0.7554652066302956
Energy: 0.6467658037299419
Energy: 0.6504872248817838
Energy: 0.6478353746079367
Energy: 0.7340082843941572
Energy: 0.753965104239392
Energy: 0.6461347423910534
Energy: 0.6513174723901423
Energy: 0.6465922341444587
Energy: 0.6824255093127488
Energy: 0.6568618043519839
Energy: 0.6454121503932563
Energy: 0.6450875493935543
Energy: 0.647785900910835
Energy: 0.6586412036921221
Energy: 0.645693834993236
Energy: 0.646728678680298
Energy: 0.6441340696396431
Energy: 0.6364471071466886
Energy: 0.6805812906738645
Energy: 0.6459111465137114
Energy: 0.6524223464129023
Energy: 0.6418359015331205
Energy: 0.6534339946139759
Energy: 0.6789055441364098
Energy: 0.6457227811325482
Energy: 0.6522502672797247
Energy: 0.6424167215973148
Energy: 0.6677016764226201
Energy: 0.6466915854656902
Energy: 0.6571424891176856
Energy: 0.6455418013818635
Energy: 0.6617043605066364
Energy: 0.6644019183041426
Energy: 0.6513374772305142
Energy: 0.6588047302485533
Energy: 0.6671545680233735
Energy: 0.6904285088543225
Energy: 0.6339403355242204
Energy: 0.6642661807643107
Energy: 0.663939590929233
Energy: 0.7361300062157589
Energy: 0.6533709298249634
Energy: 0.633546762466033
Energy: 0.6648705853630152
Energy: 0.6645412123158827
Energy: 0.7381550152335129
Energy: 0.656591627164286
Energy: 0.6560484984275116
Energy: 0.6631506171237357
Energy: 0.6413874010528413
Energy: 0.6899717136783794
Energy: 0.6658212590755511
Energy: 0.6558636620282708
Energy: 0.6643263622611394
Energy: 0.6406996787316146
Energy: 0.6774492810796235
Energy: 0.6632334640189778
Energy: 0.6298665016682103
Energy: 0.6592551255504818
Energy: 0.7440138626256558
Energy: 0.747130334627018
Energy: 0.6532668460880697
Energy: 0.6285445918819302
Energy: 0.661384398372402
Energy: 0.7448328840781775
Energy: 0.6585670987550769
Energy: 0.6704615701415777
Energy: 0.6733229193612064
Energy: 0.6713795095225161
Energy: 0.6916106316680986
Energy: 0.6897392123901196
Energy: 0.6601097479625286
Energy: 0.6720725072572561
Energy: 0.6681066105780915
Energy: 0.694239313588673
Energy: 0.6882727492497371
Energy: 0.649727212987324
Energy: 0.6718059630171083
Energy: 0.6571878749010969
Energy: 0.6563701732667373
Energy: 0.669019192972131
Energy: 0.6703448363358948
Energy: 0.6782937041595404
Energy: 0.6571784815339137
Energy: 0.653643422619716
Energy: 0.670062368029507
Energy: 0.6697297047767183
Energy: 0.6802615878692422
Energy: 0.6797590537368201
Energy: 0.6590766387421286
Energy: 0.6614554890795549
Energy: 0.6683521122040864
Energy: 0.681035520757583
Energy: 0.6790262241085345
Energy: 0.6671049189025777
Energy: 0.6622387947957079
Energy: 0.739815468229462
Energy: 0.6535409449395361
Energy: 0.6983024482686844
Energy: 0.6346142333595666
Energy: 0.7159708696599646
Energy: 0.7396683110062524
Energy: 0.6540650111559023
Energy: 0.6877259409607358
Energy: 0.6783374900097366
Energy: 0.7175660459664172
Energy: 0.7422533081384359
Energy: 0.75004118669015
Energy: 0.6778215616908242
Energy: 0.6407892811254211
Energy: 0.6967024977843799
Energy: 0.672029039365049
Energy: 0.746007756741407
Energy: 0.6779823339958602
Energy: 0.6413999197320309
Energy: 0.6966045956001882
Energy: 0.6611193687711998
Energy: 0.7398552288574162
Energy: 0.6483526918768298
Energy: 0.6463705251444455
Energy: 0.6612613799811689
Energy: 0.7386359873918437
Energy: 0.6808098437337883
Energy: 0.6487742217490886
Energy: 0.6462310000786294
Energy: 0.6670265957993172
Energy: 0.8419920955041843
Energy: 0.6466780776141445
Energy: 0.6483280732828984
Energy: 0.6492955137275452
Energy: 0.6455237219352097
Energy: 0.6751037980376525
Energy: 0.6475813285107197
Energy: 0.6472234229523167
Energy: 0.644059402905042
Energy: 0.6645119077752879
Energy: 0.6869698879630278
Energy: 0.6516835799925903
Energy: 0.6419345372754635
Energy: 0.6431794693275171
Energy: 0.6607528984936992
Energy: 0.6869611848905792
Energy: 0.6451718781569042
Energy: 0.6413691133727236
Energy: 0.6545061958817461
Energy: 0.6416743696492453
Energy: 0.685752099314352
Energy: 0.6501989431691887
Energy: 0.6967957927733154
Energy: 0.6914285298823604
Energy: 0.6825389451628752
Energy: 0.6386233168484832
Energy: 0.6555579873921509
Energy: 0.660607239429425
Energy: 0.6849548961047868
Energy: 0.6842480622284487
Energy: 0.6390821365622622
Energy: 0.6522407375840978
Energy: 0.6592180441700022
Energy: 0.6388704843708268
Energy: 0.6407778019706608
Energy: 0.6586734373950485
Energy: 0.6647249151681399
Energy: 0.6549179118849222
Energy: 0.6389373415348341
Energy: 0.6409452797476477
Energy: 0.6593725124086395
Energy: 0.6615434401657293
Energy: 0.6734735673025128
Energy: 0.65645991749993
Energy: 0.6507195484722003
Energy: 0.6600845538589656
Energy: 0.6844880847119853
Energy: 0.6558032857720938
Energy: 0.6551718096799093
Energy: 0.6514697354313139
Energy: 0.6603393018555834
Energy: 0.7594904376533154
Energy: 0.694763639656955
Energy: 0.6564195202044114
Energy: 0.6317269055893031
Energy: 0.7202104018174112
Energy: 0.7567253269505825
Energy: 0.6940950335238245
Energy: 0.65693929508451
Energy: 0.6321596398873665
Energy: 0.720788780284006
Energy: 0.7046897227354662
Energy: 0.6749096627209863
Energy: 0.6278735277535122
Energy: 0.6770035144701185
Energy: 0.6881486944120583
Energy: 0.7040137812759015
Energy: 0.6623809293717456
Energy: 0.6277142100058172
Energy: 0.6766605931576827
Energy: 0.6774209985166061
Energy: 0.6938759765993987
Energy: 0.6881720818346683
Energy: 0.6528487286681168
Energy: 0.6739378285008977
Energy: 0.6682565640377943
Energy: 0.6925299505555051
Energy: 0.6967217799635804
Energy: 0.6877563902371782
Energy: 0.669353906261409
Energy: 0.6677389944582215
Energy: 0.6919307166407713
Energy: 0.656070999099913
Energy: 0.7145769372528145
Energy: 0.6879649761033909
Energy: 0.6701425136200387
Energy: 0.6559577341222498
Energy: 0.6556938556456458
Energy: 0.7112080507234879
Energy: 0.6862724870105006
Energy: 0.683114922748375
Energy: 0.6791358454918971
Energy: 0.7233486676958415
Energy: 0.7242594967766818
Energy: 0.7086739857316044
Energy: 0.6422025031412694
Energy: 0.7223094704079379
Energy: 0.7234150023922117
Energy: 0.7247110443580581
Energy: 0.7169403842247701
Energy: 0.636998663709769
Energy: 0.6701108198513138
Energy: 0.6826676596348844
Energy: 0.6339828410301109
Energy: 0.7325977746533142
Energy: 0.6792355547109299
Energy: 0.6811595275596513
Energy: 0.6820566298660293
Energy: 0.6332910442835533
Energy: 0.7500416112500036
Energy: 0.6604017393623407
Energy: 0.6665249078056343
Energy: 0.7501134761114556
Energy: 0.736018793693719
Energy: 0.6618770305630933
Energy: 0.6474550971769681
Energy: 0.6688929887795936
Energy: 0.7403842010111016
Energy: 0.7352922050585462
Energy: 0.6473449759513229
Energy: 0.6474807000604
Energy: 0.6418309117834274
Energy: 0.6405125781398056
Energy: 0.6444932885152407
Energy: 0.64420048000833
Energy: 0.6431506592578607
Energy: 0.6421747789322956
Energy: 0.6515797162968353
Energy: 0.6440011234568608
Energy: 0.6438470391589769
Energy: 0.644046193258443
Energy: 0.6512610588176738
Energy: 0.6834308309710939
Energy: 0.6492646811896378
Energy: 0.649267572742804
Energy: 0.638536352542523
Energy: 0.6474332204861099
Energy: 0.6810984945938855
Energy: 0.655436316071524
Energy: 0.6434580975841
Energy: 0.639116925565339
Energy: 0.651646170526084
Energy: 0.6520773975408453
Energy: 0.6544517212678722
Energy: 0.6788883399557447
Energy: 0.6657633977186043
Energy: 0.6551099372940433
Energy: 0.6514273545420409
Energy: 0.6600607323199642
Energy: 0.6837580500957087
Energy: 0.6701371915393064
Energy: 0.6398432733580123
Energy: 0.6478613351144923
Energy: 0.6477135220881698
Energy: 0.7354467811934958
Energy: 0.6290777417461191
Energy: 0.6413075474171166
Energy: 0.6517864403187462
Energy: 0.6527209996557197
Energy: 0.737834398286011
Energy: 0.6546328596697875
Energy: 0.641167627464521
Energy: 0.6429101386114094
Energy: 0.6455907893029756
Energy: 0.7220444367564425
Energy: 0.6426138899081475
Energy: 0.641391080578196
Energy: 0.6456932752306718
Energy: 0.6467607249446277
Energy: 0.7070626439027491
Energy: 0.6416448424214001
Energy: 0.6403429031629093
Energy: 0.6361074139464737
Energy: 0.746871409269805
Energy: 0.7462950340432964
Energy: 0.6374111928689207
Energy: 0.6443756877600016
Energy: 0.6468412662264016
Energy: 0.7484841516467241
Energy: 0.697343579324586
Energy: 0.6449395703316896
Energy: 0.6873335976321627
Energy: 0.7087506467946589
Energy: 0.7025216739019591
Energy: 0.6749006696826686
Energy: 0.6485051863309333
Energy: 0.64397779351493
Energy: 0.701854233998941
Energy: 0.7132440754583603
Energy: 0.6835602236034163
Energy: 0.6552954511588379

minimum gb energy = 0.6277142100058172 eV
minimum distance =  2.59832237188706 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.8423235820676666
Energy: 0.6794445049862343
Energy: 0.6501728661173185
Energy: 0.6554464717551718
Energy: 0.6566178380816253
Energy: 0.6686761905026156
Energy: 0.6364558133060634
Energy: 0.6539690064297472
Energy: 0.6770024526299702
Energy: 0.6704299935902435
Energy: 0.6390458239743244
Energy: 0.6403104488150707
Energy: 0.6188657734011511
Energy: 0.6970708837346493
Energy: 0.6538254104460429
Energy: 0.6388012168155216
Energy: 0.6583083221762757
Energy: 0.6193535476162567
Energy: 0.6705665830079118
Energy: 0.607329859671586
Energy: 0.6433868088714854
Energy: 0.6446827915797732
Energy: 0.6686975286967142
Energy: 0.6085038945652139
Energy: 0.6179685482631927
Energy: 0.6419692832809396
Energy: 0.6459697471615854
Energy: 0.6699472760984014
Energy: 0.6072807285110419
Energy: 0.6645647234764451
Energy: 0.6123345025892627
Energy: 0.6091129395040198
Energy: 0.6753736535613979
Energy: 0.6328091474484541
Energy: 0.657750385004564
Energy: 0.6128201943975344
Energy: 0.6074896047938958
Energy: 0.6747361381905921
Energy: 0.6340732125479418
Energy: 0.6584954583290857
Energy: 0.6334545389938967
Energy: 0.667865200189195
Energy: 0.604234207929653
Energy: 0.6087297196519525
Energy: 0.6409290450001873
Energy: 0.6319360432655161
Energy: 0.6696260690695987
Energy: 0.6035475943389932
Energy: 0.6093204981372444
Energy: 0.6494052021445736
Energy: 0.6049605349660014
Energy: 0.6112510368142714
Energy: 0.6105377597062853
Energy: 0.6305054376755016
Energy: 0.6476910105227026
Energy: 0.6165064668513074
Energy: 0.613154892348968
Energy: 0.6112039487175854
Energy: 0.6311683719146977
Energy: 0.6392646692169952
Energy: 0.6428029163842967
Energy: 0.6450586390357153
Energy: 0.6537351786487082
Energy: 0.6296167655173425
Energy: 0.6332716725786771
Energy: 0.6419024758819678
Energy: 0.6465056255380625
Energy: 0.6528392983387892
Energy: 0.6123952417561439
Energy: 0.6264225759643411
Energy: 0.6439970761731135
Energy: 0.6356967709836251
Energy: 0.6099166224883937
Energy: 0.6073241376551558
Energy: 0.6687172621274071
Energy: 0.6433629496470724
Energy: 0.6260090729507176
Energy: 0.6107842474850008
Energy: 0.6141597813984611
Energy: 0.6454301867189646
Energy: 0.6057041868242382
Energy: 0.6755139936063149
Energy: 0.6386934869901184
Energy: 0.6699541655397546
Energy: 0.6454204297931271
Energy: 0.6062725609339797
Energy: 0.6750965805685933
Energy: 0.6417779248252096
Energy: 0.6694571359531679
Energy: 0.6448197826182359
Energy: 0.6874489710729862
Energy: 0.6359121428557865
Energy: 0.6082863322413382
Energy: 0.6425935047748964
Energy: 0.6446936493874533
Energy: 0.6529443302105881
Energy: 0.6416560548403896
Energy: 0.608189556212569
Energy: 0.6433951759489275
Energy: 0.6427920637160354
Energy: 0.607477725090267
Energy: 0.6103537433862603
Energy: 0.613768593921055
Energy: 0.6405318487740923
Energy: 0.6021901921703591
Energy: 0.6079917870131152
Energy: 0.6108132016851205
Energy: 0.6134880798033983
Energy: 0.6407593371054939
Energy: 0.6058037688909851
Energy: 0.607207173965815
Energy: 0.6063315635894123
Energy: 0.6188806854200511
Energy: 0.6539920226759774
Energy: 0.6168878370971327
Energy: 0.6076989979157306
Energy: 0.6061605450756872
Energy: 0.6147556452045742
Energy: 0.6407701617931449
Energy: 0.6159005960298529
Energy: 0.6078115741737381
Energy: 0.6068584119757169
Energy: 0.6639043559751849
Energy: 0.6636740252359836
Energy: 0.612797225526667
Energy: 0.6075465489055356
Energy: 0.6065467468556709
Energy: 0.6650950012385957
Energy: 0.664341105314042
Energy: 0.6132924779135979
Energy: 0.7066727344889627
Energy: 0.6132513255687777
Energy: 0.6412032655348892
Energy: 0.6447145115300414
Energy: 0.6023257053025526
Energy: 0.7045407579507126
Energy: 0.6141851664319204
Energy: 0.6897966350078156
Energy: 0.6435708670864386
Energy: 0.6068412057735101

minimum gb energy = 0.6021901921703591 eV
minimum distance =  2.67396203429306 Angstroms
sigma value = 33