Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.080053493380546
cohesive_energy=3.930314152984703
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.068807226011498e-19, 1.72237192508268e-19, 2.2702682686116596e-19, 2.7505046928868197e-19, 3.18829945812732e-19, 3.59113472921394e-19, 3.9571359594849e-19, 4.2852617341281e-19, 4.57767499159944e-19, 4.83778836812934e-19, 5.06887030405116e-19, 5.2737246084744e-19, 5.45470648105104e-19, 5.61388272963894e-19, 5.75298370500282e-19, 5.87361158377668e-19, 5.97711219433308e-19, 6.064639103848499e-19, 6.137201683602359e-19, 6.195520913079959e-19, 6.24025368470124e-19, 6.27176849909202e-19, 6.29041783511178e-19, 6.296570193386339e-19, 6.2899051385889e-19, 6.26832381932892e-19, 6.229262752991999e-19, 6.16959769514184e-19, 6.08452211587644e-19, 5.96900518056504e-19, 5.81715087919452e-19, 5.62184554750992e-19, 5.374341301089599e-19, 5.06388753471942e-19, 4.67686574701038e-19, 4.1960204956142994e-19, 3.59906550355224e-19, 2.8571615914122e-19, 1.9324813688654397e-19, 7.75272444896358e-20, -6.808321432052279e-20, -2.52634416002388e-19, -4.88748788731602e-19, -7.94386412139978e-19, -1.1952926625592618e-18, -1.72852428335724e-18, -2.4493275292274997e-18, -3.44413502304444e-18, -4.81500541639386e-18, -6.75232535869398e-18, -9.61695309322062e-18, -1.410623599992228e-17, -2.1759801737007597e-17, -3.6448717335183e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.011900321912141874
Energy: 0.012902098705092105
Energy: 0.4298295072944729
Energy: 0.0648827544988985
Energy: 0.012902098705092105
Energy: 0.44279308708421183
Energy: 0.012902098705092105
Energy: 0.44279308708229703
Energy: 0.4298295072949379
Energy: 0.012902098705092105
Energy: 0.011900321912141874
Energy: 0.012902098705092105
Energy: 0.06488275450420529
Energy: 0.44279308708180465
Energy: 0.012902098705092105
Energy: 0.4427930870832544

minimum gb energy = 0.011900321912141874 eV
minimum distance =  2.7973461829374 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.8224849922641897
Energy: 0.5442468753804629
Energy: 0.5811604676811495
Energy: 0.5807707406691607
Energy: 0.5543195928281391
Energy: 0.5903183702292332
Energy: 0.548185705942287
Energy: 0.5903183702298301
Energy: 0.581248386541318
Energy: 0.5806558515510835
Energy: 0.8962764500874262
Energy: 0.5806558515510835
Energy: 0.5501656923955328
Energy: 0.5498273711758571
Energy: 0.5482525871430626
Energy: 0.5498273711758571
Energy: 0.7639195013248444
Energy: 0.5475476435572629
Energy: 0.5496658449322077
Energy: 0.5475476435578601
Energy: 0.5715691841287968
Energy: 0.5716271847854797
Energy: 0.5487742266762303
Energy: 0.5716271847854797
Energy: 0.5726801129346772
Energy: 0.5709082937346188
Energy: 0.5705110853052137
Energy: 0.5709082937346188
Energy: 0.5740972152024508
Energy: 0.5792450733222465
Energy: 0.5926720115262577
Energy: 0.5792450733228438
Energy: 0.5811265512162843
Energy: 0.5766319371463717
Energy: 0.5816518639706723
Energy: 0.5766319371463717
Energy: 0.5892052789944792
Energy: 0.5787906318377501
Energy: 0.5826509916775501
Energy: 0.5787906318377501
Energy: 0.5801351658666285
Energy: 0.5765170001817458
Energy: 0.5814853944269222
Energy: 0.576517000182343
Energy: 0.5763068113813746
Energy: 0.5753602109670214
Energy: 0.5910682370355487
Energy: 0.5753602109670214
Energy: 0.5834205070270957
Energy: 0.5703429026018447
Energy: 0.5554704384597959
Energy: 0.5703429026012474
Energy: 0.5719417472296219
Energy: 0.5710396481845215
Energy: 0.5724783361696006
Energy: 0.5710396481845215
Energy: 0.5555652999481275
Energy: 0.5476437061735547
Energy: 0.5483738388112748
Energy: 0.5476437061741518
Energy: 0.5614961815357635
Energy: 0.550350997251114
Energy: 0.5491112262931258
Energy: 0.550350997251114
Energy: 0.5809593135855385
Energy: 0.5807261080931585
Energy: 0.5404783009380828
Energy: 0.5807261080925614
Energy: 0.5480149644346404
Energy: 0.548026112819237
Energy: 0.5545087118272911
Energy: 0.5480261128186399
Energy: 0.5486810540818167
Energy: 0.5804372909480999
Energy: 0.5817524810365513
Energy: 0.5804372909480999
Energy: 0.5714929367707889
Energy: 0.5498748014182921
Energy: 0.5496947276673463
Energy: 0.5498748014182921
Energy: 0.5503523453204848
Energy: 0.5492572084420396
Energy: 0.5698566818670777
Energy: 0.549257208443234
Energy: 0.5489104137154114
Energy: 0.5488691199821883
Energy: 0.5712404262436312
Energy: 0.5488691199821883
Energy: 0.5697682923647809
Energy: 0.5710925062491704
Energy: 0.5710874517040668
Energy: 0.5710925062497675
Energy: 0.5869581138449053
Energy: 0.5742239132047623
Energy: 0.5720579387754278
Energy: 0.5742239132047623
Energy: 0.5818370063544891
Energy: 0.576832930562682
Energy: 0.6570360189734142
Energy: 0.5768329305620848
Energy: 0.5826696328175212
Energy: 0.5748626800037185
Energy: 0.5900532753850737
Energy: 0.5748626800049129
Energy: 0.5817083972311098
Energy: 0.5765245433932557
Energy: 0.5799702121112533
Energy: 0.5765245433926586
Energy: 0.5915525777108239
Energy: 0.5752368774987576
Energy: 0.5715632873298336
Energy: 0.5752368774987576
Energy: 0.5554733276614296
Energy: 0.5704014941562663
Energy: 0.5838204407962789
Energy: 0.5704014941544747
Energy: 0.5725229436852537
Energy: 0.572042877305894
Energy: 0.5728953185191953
Energy: 0.572042877305894
Energy: 0.5478897116177861
Energy: 0.547735244055173
Energy: 0.55441766702187
Energy: 0.547735244054576
Energy: 0.5489729208873785
Energy: 0.5477966371283445
Energy: 0.5615931992369022
Energy: 0.5477966371289416
Energy: 0.5408735759025753
Energy: 0.5491989562119537
Energy: 0.5815591090527149
Energy: 0.5491989562119537

minimum gb energy = 0.5404783009380828 eV
minimum distance =  2.55008985655445 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 0.9391173302348881
Energy: 0.5663349063989181
Energy: 0.6080572881658581
Energy: 0.6082861575199777
Energy: 0.5832943819262714
Energy: 0.615373582953057
Energy: 0.5744219698807668
Energy: 0.6153735829510143
Energy: 0.6074647431615265
Energy: 0.6084543179235371
Energy: 0.5737954970200284
Energy: 0.6084543179262606
Energy: 0.5753683623952998
Energy: 0.5738480166800064
Energy: 0.5742330849341043
Energy: 0.5738480166813682
Energy: 0.5743701900026222
Energy: 0.5734979117937373
Energy: 0.5741740847652209
Energy: 0.5734979117930564
Energy: 0.6003686790791257
Energy: 0.640765051170034
Energy: 0.5742699949049278
Energy: 0.6407650511693532
Energy: 0.6016587677727243
Energy: 0.6023147448490499
Energy: 0.5998184195004601
Energy: 0.6023147448551777
Energy: 0.6016619358798617
Energy: 0.6191957142557809
Energy: 0.6214441273918885
Energy: 0.6191957142564616
Energy: 0.6013655399668343
Energy: 0.607595913754025
Energy: 0.6087851275966857
Energy: 0.6075959137560676
Energy: 0.620018147543013
Energy: 0.6083790176823071
Energy: 0.6038347620594202
Energy: 0.6083790176863921
Energy: 0.5854010680234886
Energy: 0.6016756150239361
Energy: 0.6211791489166388
Energy: 0.601675615024586
Energy: 0.584659592216245
Energy: 0.6044022364317291
Energy: 0.6008478719339481
Energy: 0.6044022364344526
Energy: 0.5743502760050223
Energy: 0.5735525480036171
Energy: 0.5841185490281837
Energy: 0.5735525480070214
Energy: 0.5740847842923996
Energy: 0.5736334237330315
Energy: 0.5634396477946477
Energy: 0.5736334237275846
Energy: 0.5624257306778424
Energy: 0.6080523320840564
Energy: 0.6075009642043713
Energy: 0.6080523320840564
Energy: 0.5835921874283191
Energy: 0.5735784421349575
Energy: 0.574188824828441
Energy: 0.573578442132915
Energy: 0.6093005235330334
Energy: 0.6083229841361532
Energy: 0.5746972265860409
Energy: 0.6083229841381956
Energy: 0.5751970176505931
Energy: 0.5735997474403478
Energy: 0.6005453649384159
Energy: 0.5735997474396669
Energy: 0.574535800892821
Energy: 0.5756958385770597
Energy: 0.5765282330647838
Energy: 0.5756958385736555
Energy: 0.6006258821672739
Energy: 0.573572385599753
Energy: 0.5739072246876352
Energy: 0.5735723855977104
Energy: 0.6011744845451517
Energy: 0.6187830045194962
Energy: 0.6000933410890162
Energy: 0.6187830045181344
Energy: 0.6001792430132169
Energy: 0.6057479043988867
Energy: 0.6157333302090408
Energy: 0.6057479043988867
Energy: 0.6010969938981036
Energy: 0.6077501840850558
Energy: 0.6083311102946947
Energy: 0.6077501840905027
Energy: 0.619219554545301
Energy: 0.6076178522068717
Energy: 0.6010386465597963
Energy: 0.6076178522095951
Energy: 0.5848111873343294
Energy: 0.6017023649715251
Energy: 0.6217203135529379
Energy: 0.6017023649674399
Energy: 0.5841676791455166
Energy: 0.6030956567211727
Energy: 0.6026431903353996
Energy: 0.6030956567164066
Energy: 0.573796352248788
Energy: 0.573600059070851
Energy: 0.5833063187141604
Energy: 0.5736000590667658
Energy: 0.5742012799850311
Energy: 0.5737037856584033
Energy: 0.5633510783620129
Energy: 0.5737037856590843
Energy: 0.5624007514922964
Energy: 0.5753218555493551
Energy: 0.6081621827323775
Energy: 0.5753218555493551

minimum gb energy = 0.5624007514922964 eV
minimum distance =  2.54883904774451 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.8954828471727732
Energy: 0.5891436645657654
Energy: 0.6383115867257759
Energy: 0.6380824180912581
Energy: 0.6184107596210763
Energy: 0.6419791789202456
Energy: 0.602970724868672
Energy: 0.6419791789210371
Energy: 0.637813155554967
Energy: 0.6381570854773605
Energy: 0.6021146218679445
Energy: 0.6381570854773605
Energy: 0.6049016034362836
Energy: 0.6022042318595993
Energy: 0.602823792009216
Energy: 0.6022042318572248
Energy: 0.6025674262876051
Energy: 0.6018912660228206
Energy: 0.6027275921529611
Energy: 0.6018912660244036
Energy: 0.6286521298495908
Energy: 0.6616617967577894
Energy: 0.6034349115187642
Energy: 0.6616617967569979
Energy: 0.631977216088163
Energy: 0.6496110947987057
Energy: 0.627455403920575
Energy: 0.6496110947979142
Energy: 0.6284734380031738
Energy: 0.6433251812701015
Energy: 0.6214119727594096
Energy: 0.643325181270893
Energy: 0.6300436160713279
Energy: 0.6483819590779871
Energy: 0.6196425653579706
Energy: 0.6483819590779871
Energy: 0.6285965759451495
Energy: 0.646953145513195
Energy: 0.6025233956824533
Energy: 0.646953145513195
Energy: 0.584825733377948
Energy: 0.6021110939476924
Energy: 0.6012126503546354
Energy: 0.6021110939484837
Energy: 0.5848492878855601
Energy: 0.6022843282787338
Energy: 0.6025306213603158
Energy: 0.6022843282803169
Energy: 0.6373534208065216
Energy: 0.6386893113805362
Energy: 0.5844182131445831
Energy: 0.6386893113797447
Energy: 0.6026798913048103
Energy: 0.6022312437507863
Energy: 0.6192159504377878
Energy: 0.6022312437492032
Energy: 0.602109472737264
Energy: 0.6388852630833036
Energy: 0.6403047581185733
Energy: 0.6388852630817207
Energy: 0.6286743563804342
Energy: 0.6025537962869625
Energy: 0.6045534758384185
Energy: 0.602553796286171
Energy: 0.6055369984560007
Energy: 0.6049121259731676
Energy: 0.602944421295915
Energy: 0.6049121259700017
Energy: 0.6031050833961819
Energy: 0.6022248096538545
Energy: 0.6294545729467864
Energy: 0.6022248096538545
Energy: 0.6267036806012233
Energy: 0.6529273698770696
Energy: 0.6304833836137852
Energy: 0.6529273698770696
Energy: 0.6224574294073549
Energy: 0.6466898819546157
Energy: 0.6294635258279625
Energy: 0.6466898819538243
Energy: 0.6185409155317063
Energy: 0.6482541905256332
Energy: 0.628567714142254
Energy: 0.6482541905256332
Energy: 0.6191013675406112
Energy: 0.6481979586941622
Energy: 0.6287385441713832
Energy: 0.6481979586933708
Energy: 0.6007416884163058
Energy: 0.6022052267163182
Energy: 0.5846141319298603
Energy: 0.6022052267155268
Energy: 0.6026745498555964
Energy: 0.6022604152943669
Energy: 0.584774860279593
Energy: 0.6022604152951585
Energy: 0.5841949306937502
Energy: 0.60444591759415
Energy: 0.6390373435710974
Energy: 0.60444591759415

minimum gb energy = 0.5841949306937502 eV
minimum distance =  2.542038794891 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.8296868318904188
Energy: 0.6102314595956775
Energy: 0.6694323002312998
Energy: 0.6688220995442042
Energy: 0.6596823553795008
Energy: 0.6673131669303283
Energy: 0.6369342411924492
Energy: 0.667313166929384
Energy: 0.6688297416344642
Energy: 0.6686328161732428
Energy: 0.6669367259965956
Energy: 0.668632816174187
Energy: 0.6343097528340814
Energy: 0.637231832517727
Energy: 0.6364670638849481
Energy: 0.6372318325158386
Energy: 0.6339820292909224
Energy: 0.6375962105897609
Energy: 0.6355382283409365
Energy: 0.6375962105869284
Energy: 0.6352907734840699
Energy: 0.6976269260595062
Energy: 0.6383051326910134
Energy: 0.6976269260576178
Energy: 0.6619096537198181
Energy: 0.6910381787284244
Energy: 0.6365958116542549
Energy: 0.6910381787293686
Energy: 0.6372448610585537
Energy: 0.6922254356254774
Energy: 0.6390584176030321
Energy: 0.6922254356273659
Energy: 0.6350049845816887
Energy: 0.6375472143219457
Energy: 0.6047145697471007
Energy: 0.6375472143219457
Energy: 0.6366317848126083
Energy: 0.6368885984059941
Energy: 0.6042775027792573
Energy: 0.6368885984041057
Energy: 0.6033596933877021
Energy: 0.6689808878222517
Energy: 0.6681427333860669
Energy: 0.6689808878213075
Energy: 0.6600730402962734
Energy: 0.6366795942928509
Energy: 0.6370548401358945
Energy: 0.6366795942900183
Energy: 0.6696648638046665
Energy: 0.6689271183223159
Energy: 0.6670045274517769
Energy: 0.6689271183213716
Energy: 0.6338548461436705
Energy: 0.6366850587086353
Energy: 0.6319921742115772
Energy: 0.6366850587105237
Energy: 0.6339863349517302
Energy: 0.6352645668924407
Energy: 0.637701738024005
Energy: 0.6352645668943291
Energy: 0.6353942894744861
Energy: 0.6380337404601081
Energy: 0.6367090969378927
Energy: 0.6380337404610521
Energy: 0.6604407900227702
Energy: 0.6936911275249628
Energy: 0.6364121455150217
Energy: 0.6936911275230744
Energy: 0.6592524417638866
Energy: 0.6921547021026818
Energy: 0.6376555408381748
Energy: 0.6921547021017376
Energy: 0.6348079261905017
Energy: 0.6376986355109141
Energy: 0.6041312143611527
Energy: 0.6376986355118582
Energy: 0.6365078740718993
Energy: 0.637217952893373
Energy: 0.6040991472479373
Energy: 0.6372179528914846
Energy: 0.6032197244487659
Energy: 0.6344062197476794
Energy: 0.6694105228824402
Energy: 0.6344062197486235

minimum gb energy = 0.6032197244487659 eV
minimum distance =  2.5576288505809 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.7382385227732255
Energy: 0.6310555718326873
Energy: 0.7030173041770632
Energy: 0.7020525929619332
Energy: 0.624609594890636
Energy: 0.6715653341101365
Energy: 0.6415428929837652
Energy: 0.6715653341323221
Energy: 0.7019750895955269
Energy: 0.7019558835882398
Energy: 0.6996104518970531
Energy: 0.7019558835882398
Energy: 0.627564960752273
Energy: 0.6720179915960778
Energy: 0.6421708965119269
Energy: 0.6720179915960778
Energy: 0.6393373471605251
Energy: 0.6919140863473444
Energy: 0.6442105365610111
Energy: 0.6919140863485121
Energy: 0.6266557225059602
Energy: 0.6958758026390888
Energy: 0.6412208191396935
Energy: 0.6958758026390888
Energy: 0.6240324876594249
Energy: 0.6913121325461578
Energy: 0.6421970482264153
Energy: 0.6913121325461578
Energy: 0.6236384506791272
Energy: 0.6899004580147644
Energy: 0.6439367945796517
Energy: 0.6899004580147644
Energy: 0.7012527585676078
Energy: 0.7023626235763802
Energy: 0.7705019900502266
Energy: 0.7023626235775479
Energy: 0.6436977919386425
Energy: 0.690973536207069
Energy: 0.6237998501907763
Energy: 0.690973536207069
Energy: 0.6994474204388612
Energy: 0.7023430992919145
Energy: 0.7070936548861961
Energy: 0.7023430992907468
Energy: 0.6252899906420083
Energy: 0.6733083388871983
Energy: 0.7144109890343248
Energy: 0.6733083388871983
Energy: 0.641696276534125
Energy: 0.6950544650248264
Energy: 0.6389982089179456
Energy: 0.6950544650248264
Energy: 0.643493437197929
Energy: 0.691339604679614
Energy: 0.6282903874478319
Energy: 0.691339604679614
Energy: 0.6808330261574222
Energy: 0.6902018107876963
Energy: 0.6236273994569741
Energy: 0.6902018107876963
Energy: 0.6418007704264245
Energy: 0.6906360488561198
Energy: 0.6237370438180537
Energy: 0.6906360488561198
Energy: 0.700288110485803
Energy: 0.6283759447777983
Energy: 0.7034789760884184
Energy: 0.6283759447777983

minimum gb energy = 0.6236273994569741 eV
minimum distance =  2.61877402119043 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.0296290751582262
Energy: 0.7236645099055882
Energy: 0.7664224615034583
Energy: 0.7686130751293735
Energy: 0.6418337122139024
Energy: 0.6845033097291994
Energy: 0.6826241938510801
Energy: 0.6845033097278768
Energy: 0.6844335410050706
Energy: 0.6823682546084552
Energy: 0.7195761776240767
Energy: 0.6823682546090865
Energy: 0.6816310251724346
Energy: 0.7084499567712116
Energy: 0.6818938490940777
Energy: 0.7084499567705502
Energy: 0.6836366455907665
Energy: 0.7365903525111223
Energy: 0.6426214757647862
Energy: 0.7365903525104609
Energy: 0.6834781390222273
Energy: 0.7322491105486669
Energy: 0.6832866949013314
Energy: 0.7322491105493283
Energy: 0.7175429918568293
Energy: 0.6819770374090613
Energy: 0.6814049428298454
Energy: 0.6819770374097227
Energy: 0.7238887992316494
Energy: 0.6828809928733106
Energy: 0.6574194537770801
Energy: 0.6828809928733106
Energy: 0.7705431756474086
Energy: 0.7678384753358346
Energy: 0.7202103703433401
Energy: 0.7678384753351732
Energy: 0.7762433464327807
Energy: 0.7218299563059436
Energy: 0.6830519520034571
Energy: 0.7218299563072662
Energy: 0.6817697751357917
Energy: 0.6575975053340438
Energy: 0.6544202175235784
Energy: 0.6575975053333826
Energy: 0.7216252834736493
Energy: 0.6745264677074179
Energy: 0.6583380412159877
Energy: 0.6745264677060954
Energy: 0.7203087831817158
Energy: 0.6759234879381191
Energy: 0.674720302600513
Energy: 0.6759234879387804
Energy: 0.719352927237868
Energy: 0.6755991263337237
Energy: 0.6550876599299525
Energy: 0.675599126332401
Energy: 0.7715739795524886
Energy: 0.722877093622468
Energy: 0.7238500291183048
Energy: 0.7228770936231294
Energy: 0.7672432654091569
Energy: 0.7232651779215508
Energy: 0.7242535652555733
Energy: 0.7232651779215508
Energy: 0.7235906798630956
Energy: 0.6824890948808442
Energy: 0.6821357201415462
Energy: 0.6824890948808442
Energy: 0.7238659768972184
Energy: 0.6823677978513457
Energy: 0.6808251108265614
Energy: 0.6823677978526682
Energy: 0.6867711771163046
Energy: 0.7359410600979001
Energy: 0.683915403880004
Energy: 0.7359410600985614
Energy: 0.7055784058498463
Energy: 0.7351328974749621
Energy: 0.68387255274462
Energy: 0.7351328974756234
Energy: 0.6831914877904762
Energy: 0.6842655770851128
Energy: 0.7221066082302164
Energy: 0.6842655770837901
Energy: 0.6825975579911173
Energy: 0.6826605274592722
Energy: 0.7185293215974657
Energy: 0.6826605274612559
Energy: 0.6822957639553269
Energy: 0.723030795121709
Energy: 0.6828528871580624
Energy: 0.7230307951210477
Energy: 0.7265905809542044
Energy: 0.7678481137156079
Energy: 0.7671297307782163
Energy: 0.7678481137162693
Energy: 0.6579646885766406
Energy: 0.6755256510099946
Energy: 0.7228625703114812
Energy: 0.6755256510099946
Energy: 0.6576680924092562
Energy: 0.674831942549438
Energy: 0.6819008679546726
Energy: 0.6748319425507605
Energy: 0.6534490786528531
Energy: 0.6603143383020282
Energy: 0.7221047281321412
Energy: 0.6603143383026897
Energy: 0.6582504764222765
Energy: 0.6742598024408017
Energy: 0.7194663917337589
Energy: 0.6742598024408017
Energy: 0.6586468368929356
Energy: 0.6759769697916063
Energy: 0.718656300054678
Energy: 0.6759769697916063
Energy: 0.7197861649769428
Energy: 0.7686521718274073
Energy: 0.765571872378884
Energy: 0.7686521718267461

minimum gb energy = 0.6418337122139024 eV
minimum distance =  2.60863398784423 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.9314243485269087
Energy: 0.6164419905667695
Energy: 0.7163887448232278
Energy: 0.7153079871382027
Energy: 0.8277680120742215
Energy: 0.6485396207678038
Energy: 0.7142311836514361
Energy: 0.6485396207662812
Energy: 0.7147489128218549
Energy: 0.7153950180670613
Energy: 0.7297148863100172
Energy: 0.7153950180685837
Energy: 0.7178420365853694
Energy: 0.6490466008132659
Energy: 0.7226548013812653
Energy: 0.6490466008132659
Energy: 0.7166368665546857
Energy: 0.6489876550651485
Energy: 0.6128697993209634
Energy: 0.6489876550651485
Energy: 0.7274291831605025
Energy: 0.6501010384528417
Energy: 0.6175767323185366
Energy: 0.6501010384543643
Energy: 0.8233172097755974
Energy: 0.7154762640496027
Energy: 0.7137526638685846
Energy: 0.7154762640511251
Energy: 0.8065890872548662
Energy: 0.6494223685950257
Energy: 0.7239394733265214
Energy: 0.649422368596548
Energy: 0.7152399128914602
Energy: 0.7152664901681242
Energy: 0.7305993393756226
Energy: 0.7152664901681242
Energy: 0.7207421433763759
Energy: 0.6495882576787442
Energy: 0.7277226455568384
Energy: 0.6495882576772217
Energy: 0.7147377537908659
Energy: 0.6522347402419176
Energy: 0.620160316857321
Energy: 0.6522347402449626
Energy: 0.7266782633089831
Energy: 0.6485199730002652
Energy: 0.6087965939786385
Energy: 0.6485199729956979
Energy: 0.8067013976217075
Energy: 0.6499770664989211
Energy: 0.7230476945158189
Energy: 0.6499770664943537

minimum gb energy = 0.6087965939786385 eV
minimum distance =  2.60834005914049 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.9078581715051346
Energy: 0.746443800370996
Energy: 0.799711177078948
Energy: 0.7987293429334491
Energy: 0.7057765927385476
Energy: 0.6683644390297558
Energy: 0.8044283125659735
Energy: 0.6683644390280653
Energy: 0.6724123510444503
Energy: 0.6695107509831696
Energy: 0.7958267491787484
Energy: 0.669510750983733
Energy: 0.6697638668859882
Energy: 0.6690989678187678
Energy: 0.8543554080216358
Energy: 0.6690989678193313
Energy: 0.6676078109858947
Energy: 0.6672553290030163
Energy: 0.8593944304754918
Energy: 0.6672553290035798
Energy: 0.6677243888154398
Energy: 0.6667527054477843
Energy: 0.8565911110726389
Energy: 0.6667527054466573
Energy: 0.8021793225721329
Energy: 0.7956876128576421
Energy: 0.8058115079936801
Energy: 0.7956876128593325
Energy: 0.8026621227482925
Energy: 0.733862390847097
Energy: 0.7953241483448008
Energy: 0.733862390848224
Energy: 0.7034673750659631
Energy: 0.7434514813073704
Energy: 0.7206936634082917
Energy: 0.7434514813073704
Energy: 0.6678029066496273
Energy: 0.7334604639295761
Energy: 0.7974717557884231
Energy: 0.7334604639278856
Energy: 0.7026157975985845
Energy: 0.7042092719267914
Energy: 0.7583320671953906
Energy: 0.7042092719267914
Energy: 0.7095063892667524
Energy: 0.7477370830155138
Energy: 0.8496811977658584
Energy: 0.7477370830121329
Energy: 0.8038606409654088
Energy: 0.7034558089634267
Energy: 0.7130751971546327
Energy: 0.7034558089656808
Energy: 0.8028890064942187
Energy: 0.7035520465630212
Energy: 0.7023480360559987
Energy: 0.7035520465630212
Energy: 0.7946108246335367
Energy: 0.6983096711858524
Energy: 0.7085337627179047
Energy: 0.698309671185289
Energy: 0.7391297986494665
Energy: 0.7438373653378453
Energy: 0.7093253216002733
Energy: 0.7438373653372818
Energy: 0.7965365685206164
Energy: 0.6682346053104239
Energy: 0.7042564390656648
Energy: 0.6682346053104239
Energy: 0.7985028139803573
Energy: 0.7986822195099149
Energy: 0.8518291955655883
Energy: 0.7986822195116052
Energy: 0.805119707644866
Energy: 0.6687503240030406
Energy: 0.7052616249280077
Energy: 0.6687503240019136
Energy: 0.8440363704849237
Energy: 0.6705464353402574
Energy: 0.6722455343609217
Energy: 0.6705464353396938
Energy: 0.8071042938086486
Energy: 0.6684201655301847
Energy: 0.6689623479370982
Energy: 0.6684201655296212
Energy: 0.8569491922362529
Energy: 0.6669039731563045
Energy: 0.6670600018696804
Energy: 0.6669039731546141
Energy: 0.858779301749225
Energy: 0.6673627898686081
Energy: 0.6677123588988634
Energy: 0.6673627898680446
Energy: 0.8068614109753843
Energy: 0.7963704218056823
Energy: 0.8026304844245838
Energy: 0.7963704218073726
Energy: 0.7958872546894235
Energy: 0.7379561215981135
Energy: 0.8029532244422283
Energy: 0.7379561215975502
Energy: 0.7118523357648957
Energy: 0.7417442642498565
Energy: 0.7023187418234024
Energy: 0.7417442642504201
Energy: 0.798378213267077
Energy: 0.7330238522078102
Energy: 0.6676926597819899
Energy: 0.7330238522089372
Energy: 0.7581756863351954
Energy: 0.7006688258458277
Energy: 0.7026002479764413
Energy: 0.7006688258441371
Energy: 0.8520139473266544
Energy: 0.7086202200513682
Energy: 0.712442995246588
Energy: 0.7086202200519317
Energy: 0.714191126327818
Energy: 0.6946906748116577
Energy: 0.8093612484948459
Energy: 0.694690674810582
Energy: 0.703603512677108
Energy: 0.7030941703350788
Energy: 0.7945412902727846
Energy: 0.7030941703345153
Energy: 0.7062274981024307
Energy: 0.6987460356713432
Energy: 0.7973335963107432
Energy: 0.6987460356724702
Energy: 0.7103642134048328
Energy: 0.742901236411327
Energy: 0.7387807361724843
Energy: 0.7429012364130175
Energy: 0.7031316185675635
Energy: 0.6698143905207269
Energy: 0.7421162582087728
Energy: 0.6698143905207269
Energy: 0.8508013802332316
Energy: 0.7959387413964158
Energy: 0.7976781308848333
Energy: 0.7959387413992333

minimum gb energy = 0.6667527054466573 eV
minimum distance =  2.59190135074877 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.9605091829036396
Energy: 0.7107225666709368
Energy: 0.7698757832442067
Energy: 0.7698039987113944
Energy: 0.7096456607467667
Energy: 0.6782762465300539
Energy: 0.7601458008156667
Energy: 0.678276246528266
Energy: 0.6806142137433351
Energy: 0.6798421745040941
Energy: 0.7837097506016939
Energy: 0.6798421745032001
Energy: 0.6776634307548479
Energy: 0.6786382338879233
Energy: 0.839159838505562
Energy: 0.6786382338879233
Energy: 0.6792988822085436
Energy: 0.6799858979086768
Energy: 0.8137017028115305
Energy: 0.6799858979086768
Energy: 0.7188211882667473
Energy: 0.6799965975078388
Energy: 0.7996095460652712
Energy: 0.6799965975087329
Energy: 0.7551702331082112
Energy: 0.7808511629883124
Energy: 0.7915463592248687
Energy: 0.7808511629883124
Energy: 0.7170686236034489
Energy: 0.7440169794788412
Energy: 0.7804188562219269
Energy: 0.7440169794779472
Energy: 0.7113958524995825
Energy: 0.7454285133290025
Energy: 0.7816670662613717
Energy: 0.7454285133272144
Energy: 0.7161036280171106
Energy: 0.6967282217658477
Energy: 0.7808119411582036
Energy: 0.6967282217631657
Energy: 0.7028332980136502
Energy: 0.6625984793026992
Energy: 0.6706545425041563
Energy: 0.6625984793026992
Energy: 0.7016146391861752
Energy: 0.6633177218929269
Energy: 0.8248055238862225
Energy: 0.663317721892033
Energy: 0.7863124286398597
Energy: 0.7059927899148398
Energy: 0.7030398493002504
Energy: 0.7059927899148398
Energy: 0.7831989073651019
Energy: 0.7061865261735731
Energy: 0.7028596731783234
Energy: 0.7061865261753612
Energy: 0.7913399302965602
Energy: 0.7351703832869885
Energy: 0.7022251485930001
Energy: 0.7351703832852003
Energy: 0.8334135947045893
Energy: 0.7031924277291952
Energy: 0.7022089885423338
Energy: 0.7031924277300893
Energy: 0.8346686251708106
Energy: 0.73898124880962
Energy: 0.702997044356954
Energy: 0.73898124880962
Energy: 0.7711374914714859
Energy: 0.7659778791710843
Energy: 0.755236290583859
Energy: 0.7659778791702107
Energy: 0.757720015265319
Energy: 0.7219693079275521
Energy: 0.753979965844563
Energy: 0.7219693079293401
Energy: 0.7746220470413041
Energy: 0.7217775052557426
Energy: 0.7574204594317493
Energy: 0.7217775052700468
Energy: 0.7586778977426111
Energy: 0.7229497697955493
Energy: 0.7101225537489799
Energy: 0.7229497697955493
Energy: 0.798164610037795
Energy: 0.754776690255217
Energy: 0.755247206171091
Energy: 0.754776690253429

minimum gb energy = 0.6625984793026992 eV
minimum distance =  2.55910250489271 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.1127732162082509
Energy: 0.6889853096552716
Energy: 0.7730151355652838
Energy: 0.7732620244130748
Energy: 0.7411490519605893
Energy: 0.6818750299177292
Energy: 0.7530904401286829
Energy: 0.681875029916465
Energy: 0.6781582700153296
Energy: 0.6809982302694246
Energy: 0.7533128447201484
Energy: 0.680998230267528
Energy: 0.679487127544455
Energy: 0.6802719891856628
Energy: 0.8223915405663602
Energy: 0.6802719891875593
Energy: 0.6795894101325475
Energy: 0.6797095710913298
Energy: 0.8096434384347552
Energy: 0.6797095710900655
Energy: 0.6808814303145752
Energy: 0.680697612722849
Energy: 0.8080044138087698
Energy: 0.6806976127253778
Energy: 0.753287203557691
Energy: 0.6796358791088226
Energy: 0.6806440066987987
Energy: 0.6796358791069262
Energy: 0.7507128836545769
Energy: 0.6803010137971123
Energy: 0.6796543490026739
Energy: 0.6803010137952159
Energy: 0.8223651210435079
Energy: 0.6804101136965651
Energy: 0.6796184685243835
Energy: 0.6804101136965651
Energy: 0.8230024602890162
Energy: 0.6812755708575456
Energy: 0.678593146609492
Energy: 0.681275570855017
Energy: 0.7541059956379244
Energy: 0.7239322023493431
Energy: 0.6805351649571085
Energy: 0.7239322023474466
Energy: 0.753094565331919
Energy: 0.7514385606627652
Energy: 0.7495973207501204
Energy: 0.7514385606608688
Energy: 0.7487607741205298
Energy: 0.7192906124003557
Energy: 0.7512972044871472
Energy: 0.7192906124022522
Energy: 0.749088862820784
Energy: 0.7192711552764168
Energy: 0.6875694747345922
Energy: 0.7192711552751526
Energy: 0.7512801579245204
Energy: 0.7191401115878725
Energy: 0.6867377353549143
Energy: 0.7191401115809187
Energy: 0.6877355346911767
Energy: 0.7493979496474321
Energy: 0.7529089464174654
Energy: 0.7493979496411104
Energy: 0.6879931003701701
Energy: 0.7229640212753192
Energy: 0.7537565524589138
Energy: 0.7229640212772157
Energy: 0.6788600143870174
Energy: 0.6813475517872579
Energy: 0.7556300681806709
Energy: 0.6813475517923152
Energy: 0.6796872683493314
Energy: 0.6806333773250683
Energy: 0.8231096889814853
Energy: 0.6806333773275971
Energy: 0.6799247672392644
Energy: 0.6802649553563392
Energy: 0.6890280894934718
Energy: 0.6802649553493855
Energy: 0.6806652779676376
Energy: 0.6796848603408049
Energy: 0.8114963995239617
Energy: 0.6796848603389083
Energy: 0.7496555924501448
Energy: 0.6799985457541317
Energy: 0.6808693063737729
Energy: 0.6799985457655107
Energy: 0.7502874804513142
Energy: 0.6796530367599742
Energy: 0.6785616288756988
Energy: 0.6796530367561813
Energy: 0.8223307319406179
Energy: 0.6801401337721269
Energy: 0.6795971259546704
Energy: 0.6801401337759199
Energy: 0.8201410177000001
Energy: 0.6811592742872307
Energy: 0.6786136027954954
Energy: 0.6811592742815412
Energy: 0.8069204440106506
Energy: 0.6811345365231547
Energy: 0.6807992801977318
Energy: 0.6811345365541019
Energy: 0.7729919014275365
Energy: 0.7733526307426827
Energy: 0.9667340999463907
Energy: 0.7733526307433147
Energy: 0.7479438028824079
Energy: 0.7194049197257467
Energy: 0.7537719869756756
Energy: 0.7194049197238501
Energy: 0.7530582058375639
Energy: 0.7196001743671102
Energy: 0.7486939925741883
Energy: 0.7196001743658457
Energy: 0.7502050175177026
Energy: 0.7221339052300251
Energy: 0.6872530106106107
Energy: 0.7221339052293929
Energy: 0.6877812885912246
Energy: 0.7495844890362298
Energy: 0.7498482874351373
Energy: 0.7495844890387585

minimum gb energy = 0.6781582700153296 eV
minimum distance =  2.57166926376322 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.6316836917527464
Energy: 0.6336778641256066
Energy: 0.7130359710920893
Energy: 0.747212274347291
Energy: 0.6368110240851836
Energy: 0.6885444995156458
Energy: 0.647004710017947
Energy: 0.6885444995145693
Energy: 0.6442285186639556
Energy: 0.6764855987806614
Energy: 0.6345648292997015
Energy: 0.676485598775083
Energy: 0.6382784394549416
Energy: 0.6428604902011066
Energy: 0.6461662847804676
Energy: 0.6428604901929347
Energy: 0.642325343441958
Energy: 0.6468136025682047
Energy: 0.6364266064473225
Energy: 0.6468136025682047
Energy: 0.6467598547876264
Energy: 0.6834350623012508
Energy: 0.6378356552450973
Energy: 0.683435062285323
Energy: 0.6339610657524689
Energy: 0.6752178388943145
Energy: 0.6450641191251785
Energy: 0.6752178388971037
Energy: 0.6464344440183423
Energy: 0.6473289366718543
Energy: 0.6418072377347948
Energy: 0.647328936670998
Energy: 0.6361243549426111
Energy: 0.6446047723973127
Energy: 0.6488229473070587
Energy: 0.6446047723966765

minimum gb energy = 0.6316836917527464 eV
minimum distance =  2.58342819640312 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.8747946744169415
Energy: 0.6139375948565965
Energy: 0.7327899751222379
Energy: 0.6353650361164346
Energy: 0.6501576357484682
Energy: 0.6348456761395095
Energy: 0.7278777731639622
Energy: 0.6348456761395095
Energy: 0.7288805290240924
Energy: 0.6828037636772762
Energy: 0.7460396153914381
Energy: 0.6828037636778735
Energy: 0.6504610188922244
Energy: 0.6874653225337526
Energy: 0.7224767249229626
Energy: 0.6874653225337526
Energy: 0.7388369224532215
Energy: 0.6325896999099078
Energy: 0.7432775178705786
Energy: 0.6325896999087134
Energy: 0.6329976312699125
Energy: 0.6355117110835152
Energy: 0.7430647087117564
Energy: 0.6355117110829182
Energy: 0.6324454356485193
Energy: 0.6323797436237363
Energy: 0.7226583387365616
Energy: 0.6323797436231391
Energy: 0.6399011544616259
Energy: 0.6350815734276715
Energy: 0.8042815921409575
Energy: 0.6350815734270742
Energy: 0.6541709613762535
Energy: 0.647508337462378
Energy: 0.7954435694056993
Energy: 0.647508337461808
Energy: 0.7616268499812845
Energy: 0.6162474470204646
Energy: 0.6211439992198874
Energy: 0.6162474470204646
Energy: 0.6538825849369466
Energy: 0.6154854578162243
Energy: 0.6175206843449705
Energy: 0.6154854578156271
Energy: 0.8305454615966301
Energy: 0.6144431733516756
Energy: 0.6147800104401315
Energy: 0.6144431733516756
Energy: 0.8356029165763484
Energy: 0.6146732022264983
Energy: 0.6154128996682682
Energy: 0.6146732022259013
Energy: 0.6337129793571543
Energy: 0.6446076656977998
Energy: 0.7440267364103745
Energy: 0.6446076656966055
Energy: 0.6336838163001097
Energy: 0.6321938762721634
Energy: 0.7436478394321063
Energy: 0.6321938762739547
Energy: 0.6358132729903576
Energy: 0.6335728953138021
Energy: 0.7217566608156903
Energy: 0.6335728953132048
Energy: 0.6336069981027398
Energy: 0.6334180568819363
Energy: 0.6498659492901808
Energy: 0.6334180568825334
Energy: 0.7533891154101534
Energy: 0.6360699224756028
Energy: 0.6503241883581307
Energy: 0.6360699224750056
Energy: 0.7305151619644469
Energy: 0.6840638090156137
Energy: 0.7315678778417175
Energy: 0.6840638090150166
Energy: 0.7236704192720788
Energy: 0.685771316500562
Energy: 0.6486982587374346
Energy: 0.6857713165011591
Energy: 0.7439424928129571
Energy: 0.6382784524470388
Energy: 0.7228950454461764
Energy: 0.6382784524464417
Energy: 0.742647006735344
Energy: 0.6327507516000755
Energy: 0.6327545269035524
Energy: 0.6327507516000755
Energy: 0.7223241641916045
Energy: 0.6324776179732756
Energy: 0.6334366622121761
Energy: 0.6324776179732756
Energy: 0.8030342354348515
Energy: 0.6338096786763923
Energy: 0.636802767397893
Energy: 0.6338096786757951
Energy: 0.8307902452042794
Energy: 0.6450879202944522
Energy: 0.6532672901631003
Energy: 0.6450879202956465
Energy: 0.617241873622978
Energy: 0.616918134615253
Energy: 0.7616825885443033
Energy: 0.616918134615253
Energy: 0.6194036382506817
Energy: 0.6164552498752602
Energy: 0.6541575556754902
Energy: 0.6164552498764546
Energy: 0.6149789993623798
Energy: 0.6161609529823128
Energy: 0.6767110207642933
Energy: 0.6161609529847014
Energy: 0.61515059414785
Energy: 0.6154135406729706
Energy: 0.7915933759179972
Energy: 0.6154135406735678
Energy: 0.74375823230018
Energy: 0.6443000142013227
Energy: 0.6524136488077931
Energy: 0.6443000142019197
Energy: 0.743879734958648
Energy: 0.6327273411075601
Energy: 0.6340634777911672
Energy: 0.6327273411075601
Energy: 0.7216158691925435
Energy: 0.6336478840193204
Energy: 0.6332696696810682
Energy: 0.6336478840187233
Energy: 0.650898663829955
Energy: 0.6323191858542667
Energy: 0.632930724183902
Energy: 0.6323191858447124

minimum gb energy = 0.6139375948565965 eV
minimum distance =  2.56321204032296 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.9313000949933253
Energy: 0.5779877946736192
Energy: 0.7090658320222196
Energy: 0.6012021427068238
Energy: 0.6216777686728452
Energy: 0.6018418222990068
Energy: 0.7297797950048992
Energy: 0.6018418222981813
Energy: 0.730327431323949
Energy: 0.6641402205468504
Energy: 0.7324648939296543
Energy: 0.6641402205493275
Energy: 0.6190815912545672
Energy: 0.6648236074656648
Energy: 0.7234994218516
Energy: 0.6648236074656648
Energy: 0.6008323617991517
Energy: 0.599559339109532
Energy: 0.7274995474494961
Energy: 0.5995593391111833
Energy: 0.6003373284138553
Energy: 0.6017780691298623
Energy: 0.7283811019108223
Energy: 0.6017780691331649
Energy: 0.5978057826790985
Energy: 0.599069186285776
Energy: 0.7242951005005767
Energy: 0.5990691862824734
Energy: 0.6046226128846081
Energy: 0.604315583088901
Energy: 0.8233302417595598
Energy: 0.604315583091378
Energy: 0.7257277616439047
Energy: 0.6244214656908
Energy: 0.8227394946053435
Energy: 0.6244214656916256
Energy: 0.7279372711799477
Energy: 0.6038704343789387
Energy: 0.6165852674117103
Energy: 0.6038704343814156
Energy: 0.7248761568560474
Energy: 0.5993699738207432
Energy: 0.5983258458806037
Energy: 0.5993699738182661
Energy: 0.8207362271198348
Energy: 0.6055599046238984
Energy: 0.6005245723268287
Energy: 0.6055599046263753
Energy: 0.8203586438029915
Energy: 0.5996464819974737
Energy: 0.60025549464504
Energy: 0.5996464819958224
Energy: 0.7228097076326259
Energy: 0.6643576261742943
Energy: 0.7311298351213998
Energy: 0.66435762617512
Energy: 0.6208008556507886
Energy: 0.6633340387900779
Energy: 0.7307487416928583
Energy: 0.6633340387876009
Energy: 0.622832012268337
Energy: 0.6008139459738266
Energy: 0.7231818754759364
Energy: 0.6008139459746523
Energy: 0.5996291595550483
Energy: 0.6002262888561374
Energy: 0.7293883137444483
Energy: 0.6002262888586143
Energy: 0.6043100179420472
Energy: 0.6033923870476546
Energy: 0.7216705791913357
Energy: 0.6033923870501315
Energy: 0.5984771870243804
Energy: 0.5996758529571729
Energy: 0.8227807723507504
Energy: 0.5996758529571729
Energy: 0.60062013896761
Energy: 0.6076362756722192
Energy: 0.8226298542120115
Energy: 0.6076362756738706
Energy: 0.7282733802136
Energy: 0.6209709399349767
Energy: 0.6010631055005474
Energy: 0.6209709399333253
Energy: 0.7299260803082308
Energy: 0.6009173611281815
Energy: 0.6036753150931509
Energy: 0.6009173611273557
Energy: 0.723529850190586
Energy: 0.5995811988486601
Energy: 0.5994869130197318
Energy: 0.5995811988478345
Energy: 0.8202969413105885
Energy: 0.5998515196237867
Energy: 0.5997885118800087
Energy: 0.5998515196254379

minimum gb energy = 0.5779877946736192 eV
minimum distance =  2.5757431096831 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.9986045977951661
Energy: 0.5836481976261877
Energy: 0.7138180297285369
Energy: 0.6001136490498099
Energy: 0.631285415232219
Energy: 0.597854449425783
Energy: 0.6806014645835748
Energy: 0.5978544494252728
Energy: 0.7437420390876059
Energy: 0.6031993887517093
Energy: 0.6989777189595352
Energy: 0.6031993887476267
Energy: 0.7888667625769826
Energy: 0.6250100500063149
Energy: 0.6748371431771018
Energy: 0.6250100500058045
Energy: 0.6622693845280344
Energy: 0.5823993087417964
Energy: 0.7917439472537096
Energy: 0.5823993087423066
Energy: 0.5828728827971783
Energy: 0.5818263344640265
Energy: 0.7722387893961716
Energy: 0.5818263344635161
Energy: 0.5830630816344574
Energy: 0.5825545424666274
Energy: 0.6096032117027036
Energy: 0.5825545424645862
Energy: 0.5885338868702407
Energy: 0.5836877297321965
Energy: 0.778870071237055
Energy: 0.5836877297301551
Energy: 0.7654708835509483
Energy: 0.5839979492262393
Energy: 0.7427996444534858
Energy: 0.5839979492272599
Energy: 0.701357385383766
Energy: 0.6275881640407625
Energy: 0.6880358920268689
Energy: 0.6275881640428038
Energy: 0.7634385748014659
Energy: 0.5956273292813541
Energy: 0.6063183004732425
Energy: 0.5956273292839058
Energy: 0.7696073669149103
Energy: 0.599082431508102
Energy: 0.6748579501032824
Energy: 0.5990824315070813
Energy: 0.7761127995648565
Energy: 0.5951150745498427
Energy: 0.5963500217517949
Energy: 0.5951150745493323
Energy: 0.6951074653410166
Energy: 0.5956426247142778
Energy: 0.5969368259773022
Energy: 0.5956426247127468
Energy: 0.783718900505996
Energy: 0.5968463133010167
Energy: 0.6026641929677871
Energy: 0.5968463133025477
Energy: 0.780627828284248
Energy: 0.595579095030853
Energy: 0.5985465941740545
Energy: 0.5955790950298325
Energy: 0.5960378624991373
Energy: 0.6003359838718522
Energy: 0.68948401008823
Energy: 0.6003359838708315
Energy: 0.5955846679889453
Energy: 0.5952074931135903
Energy: 0.7671684019672473
Energy: 0.5952074931156317
Energy: 0.606574385373427
Energy: 0.5976600827729689
Energy: 0.6769225621036932
Energy: 0.5976600827709275
Energy: 0.596454949731381
Energy: 0.5953136417818448
Energy: 0.6842334760312916
Energy: 0.5953136417869481
Energy: 0.679522048870698
Energy: 0.5967607044006019
Energy: 0.5962744838402604
Energy: 0.5967607043995812
Energy: 0.6991937577696579
Energy: 0.6010486280885624
Energy: 0.7460444536783523
Energy: 0.601048628088052
Energy: 0.6747700854475553
Energy: 0.6236788112852925
Energy: 0.7848496462998182
Energy: 0.6236788112868235
Energy: 0.7960642507298106
Energy: 0.5829945130437431
Energy: 0.6618158597199628
Energy: 0.5829945130432327
Energy: 0.7702728203112594
Energy: 0.5819171132534133
Energy: 0.5819834068610881
Energy: 0.5819171132549442
Energy: 0.6754772370921696
Energy: 0.5832503947001243
Energy: 0.5859041106757458
Energy: 0.5832503946960417
Energy: 0.588313360275835
Energy: 0.5839463193941661
Energy: 0.5881807530756202
Energy: 0.5839463193967177
Energy: 0.6767197547306618
Energy: 0.5834213136894286
Energy: 0.7681271730537707
Energy: 0.5834213136899389
Energy: 0.6816301279568241
Energy: 0.6264454499707923
Energy: 0.6997102178707849
Energy: 0.626445449971813
Energy: 0.6073356760436608
Energy: 0.5950862223497368
Energy: 0.7622491579797347
Energy: 0.5950862223502473
Energy: 0.6742722926806514
Energy: 0.595775500792724
Energy: 0.7721590644159512
Energy: 0.5957755007917033
Energy: 0.5956102756850917
Energy: 0.5955604381246259
Energy: 0.7738540237301943
Energy: 0.595560438126667
Energy: 0.5954139524613068
Energy: 0.5950682304791488
Energy: 0.6960711467234714
Energy: 0.5950682304796592
Energy: 0.602121413671017
Energy: 0.5979697855463139
Energy: 0.7856692272099398
Energy: 0.5979697855463139
Energy: 0.6996526628622094
Energy: 0.6086299745340795
Energy: 0.7947385435447164
Energy: 0.6086299745335692
Energy: 0.8976600298414412
Energy: 0.5992281584953743
Energy: 0.5964172041246388
Energy: 0.5992281584979259
Energy: 0.7643231379477557
Energy: 0.5951465534202884
Energy: 0.5959159578329924
Energy: 0.5951465534197782
Energy: 0.743882425723571
Energy: 0.5986045768639706
Energy: 0.596073711100729
Energy: 0.5986045768649915

minimum gb energy = 0.5818263344635161 eV
minimum distance =  2.56563926626082 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.0534019549126517
Energy: 0.5579890450323763
Energy: 0.5423326076536554
Energy: 0.5403378084861938
Energy: 0.5417761415571237
Energy: 0.5887628916716999
Energy: 0.5419123533419071
Energy: 0.5887628916703648
Energy: 0.5360214012172533
Energy: 0.5888181764132107
Energy: 0.5544075497873522
Energy: 0.5888181764132107
Energy: 0.5372173984561001
Energy: 0.5900739303322258
Energy: 0.5410185322797707
Energy: 0.590073930333561
Energy: 0.5397641334490892
Energy: 0.5398307992245986
Energy: 0.5496553651448776
Energy: 0.5398307992232633
Energy: 0.5408889156075603
Energy: 0.5394700960933178
Energy: 0.548978138835716
Energy: 0.5394700960933178
Energy: 0.5403593291981947
Energy: 0.5390211998852167
Energy: 0.5419800949154345
Energy: 0.5390211998865521
Energy: 0.541903566066879
Energy: 0.5421368517634815
Energy: 0.5361156366453266
Energy: 0.5421368517648167
Energy: 0.5437077090319546
Energy: 0.5417586870976814
Energy: 0.545058260719536
Energy: 0.5417586870976814
Energy: 0.5563057811412419
Energy: 0.591698231049135
Energy: 0.5430004156392849
Energy: 0.591698231049135
Energy: 0.5420006193097306
Energy: 0.5833495444575936
Energy: 0.5348341803063633
Energy: 0.5833495444589288
Energy: 0.5485643427996637
Energy: 0.5414477536776172
Energy: 0.5422244955917872
Energy: 0.54144775369097
Energy: 0.5508990055028126
Energy: 0.5408342302759062
Energy: 0.541498203597679
Energy: 0.5408342302759062
Energy: 0.5413244462144102
Energy: 0.5387849911835575
Energy: 0.5389922114159135
Energy: 0.5387849911848929
Energy: 0.5361118041783617
Energy: 0.5400857412755843
Energy: 0.5438145328263616
Energy: 0.5400857412769194

minimum gb energy = 0.5348341803063633 eV
minimum distance =  2.59538638466385 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.9240016691685218
Energy: 0.5141328251232729
Energy: 0.6622839548159805
Energy: 0.520442016384299
Energy: 0.5196500530471898
Energy: 0.5175782297381227
Energy: 0.6114682097792294
Energy: 0.5175782297386824
Energy: 0.5354261509086525
Energy: 0.5162881786098616
Energy: 0.6164089209364233
Energy: 0.516288178609302
Energy: 0.7071595770849962
Energy: 0.5193937150815623
Energy: 0.6055483665391416
Energy: 0.5193937150826816
Energy: 0.609417258202566
Energy: 0.5175902884871044
Energy: 0.6264093783879011
Energy: 0.5175902884938204
Energy: 0.6072078668528774
Energy: 0.5170469968938955
Energy: 0.6138943878910117
Energy: 0.5170469968938955
Energy: 0.6072686977032615
Energy: 0.515982731217
Energy: 0.6037119420259931
Energy: 0.5159827312209175
Energy: 0.6061196923397183
Energy: 0.5154524006451269
Energy: 0.6132524852126293
Energy: 0.5154524006473655
Energy: 0.5149741924881639
Energy: 0.5172934860619482
Energy: 0.6078501005571177
Energy: 0.5172934860597096
Energy: 0.5150441190908859
Energy: 0.516479291270575
Energy: 0.6063222803219537
Energy: 0.5164792912800893
Energy: 0.5173443836739235
Energy: 0.5165657146528312
Energy: 0.9242519980050604
Energy: 0.5165657146522715
Energy: 0.7148553394701936
Energy: 0.5157136125063922
Energy: 0.6072194413009939
Energy: 0.5157136125097502
Energy: 0.6190602925482914
Energy: 0.5419105581722505
Energy: 0.6031723157016303
Energy: 0.5419105581761682
Energy: 0.6056447516429389
Energy: 0.5437287412932792
Energy: 0.7080111040284778
Energy: 0.5437287412988759
Energy: 0.6132649105961798
Energy: 0.5177154040998347
Energy: 0.6063146287597846
Energy: 0.5177154041037525
Energy: 0.6110419898325335
Energy: 0.516568477749961
Energy: 0.5186633203920556
Energy: 0.5165684777449748
Energy: 0.7098146961709962
Energy: 0.5168384235957738
Energy: 0.5182729126811306
Energy: 0.5168384235974529
Energy: 0.5180729507160877
Energy: 0.5157324954680886
Energy: 0.5175971595915904
Energy: 0.5157324954714465
Energy: 0.697733581105192
Energy: 0.5188404853014046
Energy: 0.6023889831454313
Energy: 0.5188404853042028
Energy: 0.7163099536339669
Energy: 0.5152573482136878
Energy: 0.6143926811455421
Energy: 0.5152573482209635
Energy: 0.7069685597322968
Energy: 0.5163891981485793
Energy: 0.6033977502513173
Energy: 0.5163891981569743
Energy: 0.7160067540161655
Energy: 0.5506836437369501
Energy: 0.6026265749665634
Energy: 0.5506836437341519
Energy: 0.6098578672715236
Energy: 0.5186771752526417
Energy: 0.7280332359779932
Energy: 0.5186771752582384
Energy: 0.5198249441865566
Energy: 0.5153095740586957
Energy: 0.6064907395788801
Energy: 0.5153095740536587
Energy: 0.6040624859235426
Energy: 0.5162566748442364
Energy: 0.6119823096806396
Energy: 0.5162566748503928
Energy: 0.515968032240728
Energy: 0.5153691418182256
Energy: 0.60871703416941
Energy: 0.5153691418171061
Energy: 0.5158913430302466
Energy: 0.5154515621689105
Energy: 0.7121122305566429
Energy: 0.5154515621672314
Energy: 0.5158912681738961
Energy: 0.5181317661971699
Energy: 0.5210239461926675
Energy: 0.5181317661932524
Energy: 0.7125675363815367
Energy: 0.5172087980998636
Energy: 0.6978873342118317
Energy: 0.5172087981042901
Energy: 0.6136161183129119
Energy: 0.5440194824223952
Energy: 0.7105865960341355
Energy: 0.5440194824246339
Energy: 0.6061424193233155
Energy: 0.5412469878516387
Energy: 0.7075925931634685
Energy: 0.5412469878510789
Energy: 0.6098520709075326
Energy: 0.5162850642032115
Energy: 0.7101207129124351
Energy: 0.5162850642043308
Energy: 0.6136020039578098
Energy: 0.5178552155281658
Energy: 0.5264808625996795
Energy: 0.5178552155270465
Energy: 0.7108450002297119
Energy: 0.5156950309639743
Energy: 0.5157696642544658
Energy: 0.5156950309622953
Energy: 0.6834571049618973
Energy: 0.5162003308933132
Energy: 0.5194459899391082
Energy: 0.516200330890515

minimum gb energy = 0.5141328251232729 eV
minimum distance =  2.59321822084918 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.794809463517695
Energy: 0.4703046929395802
Energy: 0.4717931370518362
Energy: 0.4713292422427677
Energy: 0.7624236548756655
Energy: 0.46967340615885
Energy: 0.6185613733362886
Energy: 0.4696734061578871
Energy: 0.7640370034986024
Energy: 0.4700953986611387
Energy: 0.6210780367752601
Energy: 0.4700953986601758
Energy: 0.7627849887988863
Energy: 0.5172173939939734
Energy: 0.6203894764970073
Energy: 0.5172173939949364
Energy: 0.6202754259341977
Energy: 0.5219494288714783
Energy: 0.6190535828949963
Energy: 0.5219494288705153
Energy: 0.5562402307851897
Energy: 0.4696958057628275
Energy: 0.6315123705007962
Energy: 0.46969580576571607
Energy: 0.4703087650123837
Energy: 0.468512773480679
Energy: 0.7693598970413333
Energy: 0.468512773480679
Energy: 0.47574322377904427
Energy: 0.46969955437632244
Energy: 0.7640386359789408
Energy: 0.46969955437632244
Energy: 0.4693026061019228
Energy: 0.47139542373209853
Energy: 0.7640999284604275
Energy: 0.4713954237330614
Energy: 0.46842368228144254
Energy: 0.4697758301058934
Energy: 0.7058191754679047
Energy: 0.4697758301049305
Energy: 0.4717931370066027
Energy: 0.4703046929386173
Energy: 0.794809463517695
Energy: 0.4703046929386173
Energy: 0.6185613733362886
Energy: 0.4696734061578871
Energy: 0.7052593176173646
Energy: 0.4696734061578871
Energy: 0.6210780367771858
Energy: 0.47009539865921296
Energy: 0.7640370034986024
Energy: 0.47009539865921296
Energy: 0.6203894764970073
Energy: 0.5172173939949364
Energy: 0.7627849887979233
Energy: 0.5172173939949364
Energy: 0.6190535828959591
Energy: 0.5219494288695525
Energy: 0.6202754259322718
Energy: 0.5219494288695525
Energy: 0.7044038964789912
Energy: 0.4696958057724563
Energy: 0.4670633723847795
Energy: 0.46969580576667896
Energy: 0.7693598970422962
Energy: 0.468512773480679
Energy: 0.4703087650123837
Energy: 0.4685127734816419
Energy: 0.7640386355400641
Energy: 0.46969955437632244
Energy: 0.47574322377904427
Energy: 0.46969955437728533
Energy: 0.7640999284604275
Energy: 0.47139542373209853
Energy: 0.4693026061019228
Energy: 0.47139542373209853
Energy: 0.7624236546052054
Energy: 0.4697758301058934
Energy: 0.46842368228144254
Energy: 0.4697758301058934

minimum gb energy = 0.4670633723847795 eV
minimum distance =  2.60289400102337 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.9552302609537564
Energy: 0.4249837520145586
Energy: 0.5874559422574914
Energy: 0.423126404953395
Energy: 0.665121801196959
Energy: 0.42097177030742244
Energy: 0.5422748352436364
Energy: 0.4209717703089262
Energy: 0.8596834051401667
Energy: 0.41992045500285563
Energy: 0.5440474943513284
Energy: 0.41992045500210373
Energy: 0.6626475718788093
Energy: 0.4214578984108401
Energy: 0.5414690396390042
Energy: 0.4214578984100881
Energy: 0.6693241243754442
Energy: 0.46247020364761027
Energy: 0.768250411355453
Energy: 0.46247020364610647
Energy: 0.662989341683561
Energy: 0.4598224443040068
Energy: 0.7637144268102557
Energy: 0.45982244430253727
Energy: 0.6639442310296306
Energy: 0.4621956720800589
Energy: 0.6687787124894247
Energy: 0.4621956720815627
Energy: 0.5414374913762959
Energy: 0.42144321260265477
Energy: 0.7665194903030862
Energy: 0.42144321260190293
Energy: 0.5443124269691296
Energy: 0.42007581717779774
Energy: 0.7617986628865719
Energy: 0.42007581717779774
Energy: 0.5452274035756138
Energy: 0.4209088822423422
Energy: 0.7625609194562486
Energy: 0.4209088822423422
Energy: 0.42052842517698497
Energy: 0.42124320769100837
Energy: 0.8092127833753909
Energy: 0.4212432076849933
Energy: 0.42328444597366105
Energy: 0.42118301954996284
Energy: 0.7625943504349487
Energy: 0.42118301954921095
Energy: 0.4217405590128085
Energy: 0.42283637527425383
Energy: 0.663278930960641
Energy: 0.422836375273502
Energy: 0.42964762112856597
Energy: 0.4211345023185977
Energy: 0.8566601237286645
Energy: 0.4211345023201015
Energy: 0.5432446084755715
Energy: 0.4198350336699891
Energy: 0.6700455106508934
Energy: 0.41983503366923713
Energy: 0.5463660394503449
Energy: 0.4209146661179605
Energy: 0.8622888144687266
Energy: 0.4209146661172087
Energy: 0.6693628373637244
Energy: 0.4218325827994045
Energy: 0.8665892168961882
Energy: 0.42183258279865266
Energy: 0.5423159873660647
Energy: 0.46305198262588937
Energy: 0.6691378857803469
Energy: 0.46305198262588937
Energy: 0.7615464202669957
Energy: 0.4602757594821163
Energy: 0.6638794947251146
Energy: 0.46027575948286814
Energy: 0.6697036402977244
Energy: 0.46024757142339556
Energy: 0.6630285196631227
Energy: 0.46024757142189177
Energy: 0.8101334886553382
Energy: 0.4225763656079179
Energy: 0.5464933299222394
Energy: 0.42257636561167744
Energy: 0.762367547230164
Energy: 0.41968831591139355
Energy: 0.4211386126991931
Energy: 0.41968831591139355
Energy: 0.7607182992364893
Energy: 0.422419264890499
Energy: 0.5413008142479188
Energy: 0.4224192648897472
Energy: 0.7661861409701596
Energy: 0.42185728300196274
Energy: 0.4261631671513133
Energy: 0.4218572830027147
Energy: 0.6712910368538096
Energy: 0.42017591430519735
Energy: 0.4203441477205881
Energy: 0.42017591430670115
Energy: 0.8619005732514321
Energy: 0.42128457244853745
Energy: 0.4250237947473765
Energy: 0.42128457244853745

minimum gb energy = 0.41968831591139355 eV
minimum distance =  2.60566857726124 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.0590157240582163
Energy: 0.3905954704995366
Energy: 0.5594203620718616
Energy: 0.38563614495828713
Energy: 0.7603569760300138
Energy: 0.38450276119581894
Energy: 0.48383061667152705
Energy: 0.38450276119828464
Energy: 0.925965720630112
Energy: 0.3835061529927745
Energy: 0.486147189653209
Energy: 0.3835061529927745
Energy: 0.7656482297706524
Energy: 0.38589518321355953
Energy: 0.5935479884288232
Energy: 0.3858951832123267
Energy: 0.7657204396147274
Energy: 0.3827272545046298
Energy: 0.673687295138113
Energy: 0.38272725450956113
Energy: 0.7605538548305627
Energy: 0.499534194165435
Energy: 0.6743840095693733
Energy: 0.49953419416358574
Energy: 0.7638809311773991
Energy: 0.4181534071767013
Energy: 0.7652180770652532
Energy: 0.41815340717731775
Energy: 0.6798316711531522
Energy: 0.41731407724101827
Energy: 0.6736504424970843
Energy: 0.4173140772416347
Energy: 0.5830839280850205
Energy: 0.4986187685806202
Energy: 0.8430526695450232
Energy: 0.49861876858000387
Energy: 0.5847377871495677
Energy: 0.38287952394646346
Energy: 0.766364956378116
Energy: 0.38287952394646346
Energy: 0.4924142602736472
Energy: 0.3877549819359197
Energy: 0.9329232339505176
Energy: 0.38775498193283764
Energy: 0.4822458079085035
Energy: 0.3828065112707085
Energy: 0.8426289861591155
Energy: 0.3828065112700921
Energy: 0.4842907988166802
Energy: 0.38620367042820736
Energy: 0.8412924312078599
Energy: 0.38620367042697457
Energy: 0.39097873152917334
Energy: 0.3857599046189936
Energy: 0.8501598313601485
Energy: 0.38575990461961
Energy: 0.383800034256351
Energy: 0.3838203086373247
Energy: 0.7652059763211906
Energy: 0.3838203086367083
Energy: 0.38820203739844455
Energy: 0.3851385213907112
Energy: 0.9279356919637209
Energy: 0.38513852139132765
Energy: 0.4900456882343462
Energy: 0.38679051704659867
Energy: 0.9302500930661746
Energy: 0.3867905170435166
Energy: 0.48112159011927386
Energy: 0.38296284933460933
Energy: 0.7628885710838331
Energy: 0.38296284933645863
Energy: 0.48513393027390284
Energy: 0.3855401929164205
Energy: 0.7623421255844349
Energy: 0.3855401929164205
Energy: 0.6744101240697651
Energy: 0.3841139769547937
Energy: 0.7612343281619786
Energy: 0.3841139769547937
Energy: 0.6925613467750156
Energy: 0.3860477615584656
Energy: 0.7627400617991016
Energy: 0.38604776162501103
Energy: 0.6742942130743949
Energy: 0.41679560369920915
Energy: 0.7654567290022328
Energy: 0.41679560369797636
Energy: 0.8436362484671371
Energy: 0.4159503463384741
Energy: 0.7584336481607732
Energy: 0.4159503463372413
Energy: 0.6731689183210492
Energy: 0.4170158203524765
Energy: 0.6744520885365426
Energy: 0.4170158203518601
Energy: 0.8418572795200053
Energy: 0.3844964420482337
Energy: 0.5774217412435155
Energy: 0.38449644205008293
Energy: 0.8435443037358477
Energy: 0.38391834696441934
Energy: 0.6723185296279458
Energy: 0.38391834696380295
Energy: 0.8469928517326853
Energy: 0.38579726596500163
Energy: 0.4855871589815238
Energy: 0.38579726596561803
Energy: 0.7644445923625338
Energy: 0.38341532311247045
Energy: 0.48031080460206743
Energy: 0.38341532311000476
Energy: 0.8464635915508109
Energy: 0.38699729305993213
Energy: 0.48929996451548796
Energy: 0.3869972930605486
Energy: 0.8443683252754308
Energy: 0.38521040352518066
Energy: 0.3849361834193282
Energy: 0.38521040352579705
Energy: 0.7629632341981
Energy: 0.38377599966405823
Energy: 0.3832520259905373
Energy: 0.3837759996634418
Energy: 0.9196790855588187
Energy: 0.38537903673262397
Energy: 0.3903626566468326
Energy: 0.3853790367344732

minimum gb energy = 0.3827272545046298 eV
minimum distance =  2.60695595632326 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.9100501323909396
Energy: 0.36247008712608414
Energy: 0.5366779870504763
Energy: 0.3603976347106072
Energy: 0.8260309619789202
Energy: 0.35597853684247444
Energy: 0.4436804298626807
Energy: 0.3559785368471742
Energy: 0.9714508754571541
Energy: 0.3558704335836031
Energy: 0.4421943553070403
Energy: 0.35587043358673626
Energy: 0.8365199697197669
Energy: 0.3581191693545658
Energy: 0.6113701826682532
Energy: 0.3581191693561323
Energy: 0.8302292702084215
Energy: 0.35390178612450196
Energy: 0.6031205662933208
Energy: 0.353901786086904
Energy: 0.8294574285952707
Energy: 0.3604959412715826
Energy: 0.6047986727577451
Energy: 0.3604959412950339
Energy: 0.6831798392236565
Energy: 0.35861848373044425
Energy: 0.7548793617213103
Energy: 0.3586184837252223
Energy: 0.7592645180700347
Energy: 0.38568785693016766
Energy: 0.6020232113084768
Energy: 0.38568785706845443
Energy: 0.6818592026879111
Energy: 0.5540318589095415
Energy: 0.753613701579368
Energy: 0.5540318589095415
Energy: 0.6802233793585251
Energy: 0.4638072081305023
Energy: 0.832951824193184
Energy: 0.46380720813311327
Energy: 0.610923763323742
Energy: 0.3657453910603384
Energy: 0.8081931710923222
Energy: 0.36574539089276115
Energy: 0.519846548346927
Energy: 0.3607912290106492
Energy: 0.8974383948224633
Energy: 0.36079122901743776
Energy: 0.6045697578568937
Energy: 0.35470238767538986
Energy: 0.8993894317974866
Energy: 0.35470238767538986
Energy: 0.4480055943731849
Energy: 0.35807429369626137
Energy: 0.7603054004018079
Energy: 0.3580742936988249
Energy: 0.4367607083630596
Energy: 0.35514661463175734
Energy: 0.830814025142203
Energy: 0.35514661463123515
Energy: 0.44471443862145654
Energy: 0.35685201436812547
Energy: 0.900445825982424
Energy: 0.3568520143676033
Energy: 0.361097593337709
Energy: 0.35638556084942935
Energy: 0.9040640831646805
Energy: 0.3563855608473406
Energy: 0.35550929924198155
Energy: 0.35483030918523034
Energy: 0.8296847938317946
Energy: 0.3548303091841859
Energy: 0.35898043578790784
Energy: 0.35801810995450334
Energy: 0.8312661513126819
Energy: 0.35801810995450334
Energy: 0.4462444870228956
Energy: 0.3581045803239147
Energy: 0.9741661903505529
Energy: 0.3581045803207815
Energy: 0.4354920277226911
Energy: 0.35465559729577506
Energy: 0.8298784197487373
Energy: 0.35465559729629725
Energy: 0.44689552627357254
Energy: 0.35760565692010216
Energy: 0.8338397735374252
Energy: 0.357605656916969
Energy: 0.6046410055127481
Energy: 0.35483329358771076
Energy: 0.826790477372495
Energy: 0.35483329358462506
Energy: 0.6018326394797484
Energy: 0.354165476468123
Energy: 0.8980979220269882
Energy: 0.35416547646498986
Energy: 0.6102673027602479
Energy: 0.35706469401552254
Energy: 0.7046489100881524
Energy: 0.3570646940103006
Energy: 0.7554340922133637
Energy: 0.46502135737712497
Energy: 0.8339810788927526
Energy: 0.46502135737712497
Energy: 0.602401348535877
Energy: 0.38340672787587243
Energy: 0.7541541457926333
Energy: 0.3834067278737836
Energy: 0.7589208487700752
Energy: 0.38519221447355256
Energy: 0.6879777220664774
Energy: 0.3851922144772079
Energy: 0.7565910460767915
Energy: 0.35715075045801514
Energy: 0.7552671711312166
Energy: 0.35715075011559744
Energy: 0.7556955760623035
Energy: 0.36108545989584717
Energy: 0.6047037973432028
Energy: 0.3610854598629488
Energy: 0.8292656746001286
Energy: 0.35434378982480996
Energy: 0.5198551842147413
Energy: 0.3543437898253321
Energy: 0.7608853102788595
Energy: 0.3575513858530286
Energy: 0.6101734652382342
Energy: 0.3575513858530286
Energy: 0.899615828217624
Energy: 0.3561083285715213
Energy: 0.4425533379407695
Energy: 0.3561083285715213
Energy: 0.8966936244598908
Energy: 0.35566695734585413
Energy: 0.440170461822987
Energy: 0.3556669573474207
Energy: 0.9085171790778259
Energy: 0.3573508645535052
Energy: 0.36363601904291293
Energy: 0.3573508645545496
Energy: 0.8970588034878305
Energy: 0.3576290828340082
Energy: 0.35832915090636974
Energy: 0.357629082836097
Energy: 0.96908771148509
Energy: 0.3586051598824484
Energy: 0.3566117021400671
Energy: 0.3586051598808818

minimum gb energy = 0.353901786086904 eV
minimum distance =  2.61181166317695 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.0227338173182885
Energy: 0.32123203336975964
Energy: 0.3214917856078582
Energy: 0.32134433364374915
Energy: 0.8676935775330106
Energy: 0.3198240669188428
Energy: 0.394627940767077
Energy: 0.3198240669197486
Energy: 0.8960443667985336
Energy: 0.31949503539161395
Energy: 0.39453740927887204
Energy: 0.3194950353898023
Energy: 0.7655901587399669
Energy: 0.3215298415688691
Energy: 0.5381015498020109
Energy: 0.32152984156751035
Energy: 0.8683443716545861
Energy: 0.31865369513505565
Energy: 0.5360165049718614
Energy: 0.31865369513641445
Energy: 0.7690372815451839
Energy: 0.3191762994786808
Energy: 0.5393941173016722
Energy: 0.3191762994782279
Energy: 0.7666109585787724
Energy: 0.31930798136106936
Energy: 0.6753383153924606
Energy: 0.31930798136106936
Energy: 0.8067609115449677
Energy: 0.31911040751164793
Energy: 0.5733462703619695
Energy: 0.3191104075442362
Energy: 0.7719329593239236
Energy: 0.31987566878869655
Energy: 0.6720967494476284
Energy: 0.31987566888557617
Energy: 0.7707704532027341
Energy: 0.5070963051378041
Energy: 0.8004170487400272
Energy: 0.5070963051378041
Energy: 0.6769439391722227
Energy: 0.31927370464454374
Energy: 0.7493734098892294
Energy: 0.31927370524842535
Energy: 0.6408607714597071
Energy: 0.31844801631818215
Energy: 0.8006728384628853
Energy: 0.31844801639560755
Energy: 0.6722258044633875
Energy: 0.31824325741463755
Energy: 0.8326904076984339
Energy: 0.3182432574150904
Energy: 0.5436415341912425
Energy: 0.3202390688073734
Energy: 0.7013381333583082
Energy: 0.32023906880873215
Energy: 0.49794513683661046
Energy: 0.31805063450199195
Energy: 0.8400084225429088
Energy: 0.31805063450153903
Energy: 0.5406305503871348
Energy: 0.31980985346012164
Energy: 0.8339481513535252
Energy: 0.3198098534596687
Energy: 0.39473114838234047
Energy: 0.31871500184402574
Energy: 0.8306638389328029
Energy: 0.3187150018458374
Energy: 0.39347933917992267
Energy: 0.3189429393569306
Energy: 0.8656499222508772
Energy: 0.3189429393542132
Energy: 0.3906188739211909
Energy: 0.3186858325775809
Energy: 0.8943387410569053
Energy: 0.31868583257441063
Energy: 0.3604445575934382
Energy: 0.3186828718013257
Energy: 0.8663974195598334
Energy: 0.3186828718013257
Energy: 0.3526868795233512
Energy: 0.3170017486246511
Energy: 0.8646299884508976
Energy: 0.31700174862102787
Energy: 0.35526630681609656
Energy: 0.3195181521621459
Energy: 0.8620227371429093
Energy: 0.31951815216259877
Energy: 0.4338389893564514
Energy: 0.3194171756410954
Energy: 0.8632959545689854
Energy: 0.31941717564064254
Energy: 0.42572561906251805
Energy: 0.318169849437264
Energy: 0.8670761281556085
Energy: 0.3181698494368111
Energy: 0.4306817563706109
Energy: 0.3200182675140732
Energy: 0.7657527475989955
Energy: 0.32001826751543183
Energy: 0.5375400828310231
Energy: 0.31812642404648156
Energy: 0.868156438690261
Energy: 0.3181264240446699
Energy: 0.5377615202020528
Energy: 0.3180480305356403
Energy: 0.8955389976838676
Energy: 0.31804803053609315
Energy: 0.5358856133803056
Energy: 0.31824001520484585
Energy: 0.7666551953906049
Energy: 0.31824001520258133
Energy: 0.6743288552155843
Energy: 0.3181135905853999
Energy: 0.8629715380226797
Energy: 0.31811359134682937
Energy: 0.6727205263376761
Energy: 0.3179647837037004
Energy: 0.768925646128556
Energy: 0.3179647824266226
Energy: 0.7436009431648506
Energy: 0.37006068661663905
Energy: 0.6402627402811277
Energy: 0.3700606895080411
Energy: 0.7024800850019658
Energy: 0.40391238720687683
Energy: 0.7752829914908014
Energy: 0.40391238724218254
Energy: 0.8023063842906069
Energy: 0.40632145148537757
Energy: 0.6383515412876412
Energy: 0.4063214514862834
Energy: 0.8696350105748956
Energy: 0.3199456676118617
Energy: 0.6396714924945252
Energy: 0.319945667610503
Energy: 0.7017840718164802
Energy: 0.3194597646036546
Energy: 0.5383450805955922
Energy: 0.3194597646050133
Energy: 0.9281300298086732
Energy: 0.31880453668086733
Energy: 0.5357819129034458
Energy: 0.3188045366885666
Energy: 0.9579504396006518
Energy: 0.31896322071557004
Energy: 0.5391687237388877
Energy: 0.3189632207164758
Energy: 0.8305146904510137
Energy: 0.3222938540339415
Energy: 0.39373290706219904
Energy: 0.3222938540343944
Energy: 0.8683583655918867
Energy: 0.3186629263984979
Energy: 0.3904423056936354
Energy: 0.3186629263998566
Energy: 0.8664307954497787
Energy: 0.32064435466243507
Energy: 0.39708308677146364
Energy: 0.3206443546601706
Energy: 0.8304530391283715
Energy: 0.3194684541320323
Energy: 0.3201919157038552
Energy: 0.3194684541329382
Energy: 0.8679339971396661
Energy: 0.3189512002975827
Energy: 0.3191801656198101
Energy: 0.3189512002984885
Energy: 0.8932974735150316
Energy: 0.32234606893321005
Energy: 0.3217414436471719
Energy: 0.3223460689341158

minimum gb energy = 0.31700174862102787 eV
minimum distance =  2.60499686714052 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.01346367730553836
Energy: 0.014036692287475725
Energy: 0.7482076611767047
Energy: 0.2597603465802412
Energy: 0.014921652733324684
Energy: 0.07087472294192367
Energy: 0.5536380331938985
Energy: 0.07087472294157551
Energy: 0.013961963524705065
Energy: 0.06966716815043114
Energy: 0.5528405845462404
Energy: 0.06966716814940599
Energy: 0.014840378044303961
Energy: 0.0719031242301576
Energy: 0.5542415234643013
Energy: 0.07190312423050577
Energy: 0.5548148437805871
Energy: 0.07085161925682845
Energy: 0.555372620737349
Energy: 0.07085161925682845
Energy: 0.013982644638373502
Energy: 0.06956219565503613
Energy: 0.5525950937838406
Energy: 0.06956219565333398

minimum gb energy = 0.01346367730553836 eV
minimum distance =  2.84949761641237 Angstroms
sigma value = 1