Model name: model_name=EAM_Dynamo_JacobsenNorskovPuska_1987_Al__MO_411692133366_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.987558534741402
cohesive_energy=1.5777628711097502
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -1.81000000000002 eV

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

Energy: 0.005028142884366656
Energy: 0.542944951955399
Energy: 0.00502814288310657
Energy: 0.5429449519561579
Energy: 0.00502814288310657
Energy: 0.5429449519561579
Energy: 0.542944951956659
Energy: 0.542944951956659
Energy: 0.5429449519569096
Energy: 0.5429449519569096
Energy: 0.5429449519551482
Energy: 0.5429449519551482
Energy: 0.005028142883357156
Energy: 0.542944951955399
Energy: 0.00502814288310657
Energy: 0.5429449519551482
Energy: 0.00502814288310657
Energy: 0.542944951956659
Energy: 0.5429449519548977
Energy: 0.5429449519548977
Energy: 0.5429449519551482
Energy: 0.5429449519551482
Energy: 0.5429449519569096
Energy: 0.5429449519569096
Energy: 0.005028142883858326
Energy: 0.5429449519556567
Energy: 0.00502814288310657
Energy: 0.5429449519546472
Energy: 0.00502814288310657
Energy: 0.542944951956659
Energy: 0.5429449519556567
Energy: 0.5429449519556567
Energy: 0.5429449519548977
Energy: 0.5429449519548977
Energy: 0.5429449519551482
Energy: 0.5429449519551482

minimum gb energy = 0.00502814288310657 eV
minimum distance =  2.71281638874789 Angstroms
sigma value = 1


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

Energy: 0.6372544227518264
Energy: 0.5919947614439457
Energy: 0.6372544227530672
Energy: 0.5919947614389823
Energy: 0.6372544227487242
Energy: 0.5919947614365006
Energy: 0.6849648182737534
Energy: 0.5484076234966864
Energy: 0.68496481828306
Energy: 0.5484076234979274
Energy: 0.6849648182743739
Energy: 0.5484076234966864
Energy: 0.6238430619657344
Energy: 0.627043584820825
Energy: 0.6238430619669751
Energy: 0.6270435848233067
Energy: 0.6238430619626322
Energy: 0.6270435848233067
Energy: 0.6639874847242633
Energy: 0.5808426796286581
Energy: 0.6639874847236428
Energy: 0.5808426796280377
Energy: 0.6639874847230224
Energy: 0.5808426796280377
Energy: 0.6032927730566942
Energy: 0.6611453852037881
Energy: 0.6032927730566942
Energy: 0.6611453852044086
Energy: 0.6032927730566942
Energy: 0.6611453852037881
Energy: 0.6313386615084421
Energy: 0.5731929299994591
Energy: 0.6313386615072013
Energy: 0.5731929300000796
Energy: 0.6313386615072013
Energy: 0.5731929300006999
Energy: 0.5790402099898708
Energy: 0.6266371020535924
Energy: 0.579040209992973
Energy: 0.6266371020455268
Energy: 0.5790402100004179
Energy: 0.6266371020424247
Energy: 0.5796111241616156
Energy: 0.6749266618127893
Energy: 0.5796111241485867
Energy: 0.6749266618103075
Energy: 0.579611124150448
Energy: 0.6749266618016215
Energy: 0.6427887237822901
Energy: 0.6306124945983603
Energy: 0.6427887237804288
Energy: 0.6306124945996011
Energy: 0.6427887237804288
Energy: 0.6306124946002216
Energy: 0.5429280633108732
Energy: 0.6652931139164399
Energy: 0.5429280633108732
Energy: 0.6652931138978412
Energy: 0.542928063309012
Energy: 0.66529311389598
Energy: 0.6200897729940433
Energy: 0.5645800978077962
Energy: 0.6200897729934229
Energy: 0.5645800978065554
Energy: 0.6200897729897005
Energy: 0.5645800978090372
Energy: 0.5278205510040338
Energy: 0.6714398159721147
Energy: 0.5278205510083768
Energy: 0.6714398159739758
Energy: 0.5278205510077564
Energy: 0.671439815969633
Energy: 0.6885515679797305
Energy: 0.5238217998590647
Energy: 0.6885515679753875
Energy: 0.5238217998603056
Energy: 0.6885515679735262
Energy: 0.5238217998621668
Energy: 0.5738582649931439
Energy: 0.5809578331551555
Energy: 0.5738582649906621
Energy: 0.5809578331483448
Energy: 0.5738582649912826
Energy: 0.5809578331532942
Energy: 0.71256395620627
Energy: 0.5500084510112856
Energy: 0.7125639562087516
Energy: 0.5500084510094243
Energy: 0.7125639562068904
Energy: 0.5500084510106653
Energy: 0.7074059451281599
Energy: 0.6473947937257878
Energy: 0.7074059451312478
Energy: 0.6473947937239264
Energy: 0.7074059451294007
Energy: 0.6473947937264082
Energy: 0.6206997598054923
Energy: 0.6186483436230502
Energy: 0.6206997598259522
Energy: 0.6186483436242911
Energy: 0.6206997598147846
Energy: 0.6186483436261524
Energy: 0.6208678229863867
Energy: 0.5870999407405677
Energy: 0.62086782299135
Energy: 0.5870999407442903
Energy: 0.6208678229845253
Energy: 0.587099940734984
Energy: 0.5853157098894247
Energy: 0.5808599786531099
Energy: 0.5853157098838407
Energy: 0.5808599786537304
Energy: 0.5853157098850817
Energy: 0.5808599786475261
Energy: 0.6377153721022171
Energy: 0.5733418163440704
Energy: 0.6377153721053191
Energy: 0.5733418163415888
Energy: 0.6377153720991292
Energy: 0.5733418163428297
Energy: 0.5553451769957497
Energy: 0.6701297471883829
Energy: 0.5553451769957497
Energy: 0.6701297471815583
Energy: 0.5553451769945089
Energy: 0.6701297471790766
Energy: 0.6322902032941973
Energy: 0.6277924462458906
Energy: 0.6322902033066058
Energy: 0.6277924462496131
Energy: 0.6322902033066058
Energy: 0.6277924462477518
Energy: 0.5386900791471373
Energy: 0.7080481144607785
Energy: 0.538690079149619
Energy: 0.7080481144669828
Energy: 0.5386900791477577
Energy: 0.7080481144632603

minimum gb energy = 0.5238217998590647 eV
minimum distance =  2.5849315473706 Angstroms
sigma value = 33


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

Energy: 0.6414620144777802
Energy: 0.6638570757403337
Energy: 0.6414620144777802
Energy: 0.6638570757456271
Energy: 0.6414620144756628
Energy: 0.6638570757435097
Energy: 0.6338051060998281
Energy: 0.5902941133837815
Energy: 0.6338051060994753
Energy: 0.5902941133844711
Energy: 0.6338051060959464
Energy: 0.5902941133841343
Energy: 0.5322806916644849
Energy: 0.5886354875702599
Energy: 0.5322806916687196
Energy: 0.5886354875568659
Energy: 0.5322806916697783
Energy: 0.5886354875572188
Energy: 0.6418747317158425
Energy: 0.6433205980880645
Energy: 0.6418747317133722
Energy: 0.6433205980852412
Energy: 0.6418747317169011
Energy: 0.6433205980887702
Energy: 0.590235581863575
Energy: 0.6190702870799287
Energy: 0.5902355818632221
Energy: 0.6190702870753411
Energy: 0.590235581860399
Energy: 0.6190702870704166
Energy: 0.5885083020681087
Energy: 0.5266970128257247
Energy: 0.5885083020674029
Energy: 0.5266970128285479
Energy: 0.5885083020758723
Energy: 0.5266970128250189
Energy: 0.6676728569353739
Energy: 0.6416117859129
Energy: 0.6676728569402983
Energy: 0.6416117859044306
Energy: 0.6676728569406511
Energy: 0.6416117859083122
Energy: 0.5258972134068016
Energy: 0.6416960403873398
Energy: 0.5258972134078603
Energy: 0.6416960403859283
Energy: 0.525897213408919
Energy: 0.6416960403820625
Energy: 0.5572268172556243
Energy: 0.5282943876606924
Energy: 0.5572268172545656
Energy: 0.5282943876536503
Energy: 0.5572268172520953
Energy: 0.5282943876603555
Energy: 0.5157477380372439
Energy: 0.5951699339241598
Energy: 0.5157477380432433
Energy: 0.5951699339703729
Energy: 0.5157477380386556
Energy: 0.5951699339301589
Energy: 0.5969329781664638
Energy: 0.5171425529969803
Energy: 0.5969329731854375
Energy: 0.5171425529952158
Energy: 0.596932958908736
Energy: 0.5171425529962747
Energy: 0.5267406285814712
Energy: 0.555445725950759
Energy: 0.5267406285800597
Energy: 0.5554457259560526
Energy: 0.5267406285832357
Energy: 0.5554457259500533
Energy: 0.6423740505849224
Energy: 0.5240155615636672
Energy: 0.6423740505965678
Energy: 0.524015561568255
Energy: 0.6423740505902158
Energy: 0.5240155615696666
Energy: 0.6468774701791485
Energy: 0.666637173204668
Energy: 0.6468774701749137
Energy: 0.6666371732057267
Energy: 0.6468774701766783
Energy: 0.6666371732011391
Energy: 0.5944997536906278
Energy: 0.5889938263274824
Energy: 0.5944997536870986
Energy: 0.588993826325718
Energy: 0.5944997536775867
Energy: 0.5889938263292469
Energy: 0.5267952501678488
Energy: 0.5895279973719149
Energy: 0.526795250170319
Energy: 0.5895279973719149
Energy: 0.526795250174201
Energy: 0.5895279973793095
Energy: 0.6447068281425338
Energy: 0.6427311266397056
Energy: 0.6447068281358287
Energy: 0.6427311266457048
Energy: 0.6447068281354759
Energy: 0.6427311266453518
Energy: 0.5886652733331684
Energy: 0.5266557144565165
Energy: 0.5886652733356388
Energy: 0.5266557144547521
Energy: 0.5886652733247151
Energy: 0.5266557144593397
Energy: 0.5905997248596183
Energy: 0.5944837740070592
Energy: 0.5905997248592653
Energy: 0.5944837740067063
Energy: 0.5905997248578537
Energy: 0.5944837740201002
Energy: 0.6647113691324069
Energy: 0.6428434505583066
Energy: 0.6647113691299367
Energy: 0.6428434505583066
Energy: 0.6647113691313482
Energy: 0.6428434505597184
Energy: 0.5234661605450772
Energy: 0.6880732419058279
Energy: 0.5234661605422541
Energy: 0.6880732419058279
Energy: 0.5234661605380193
Energy: 0.6880732419195749
Energy: 0.5887997134169122
Energy: 0.5284016129897807
Energy: 0.5887997134130304
Energy: 0.5284016129908394
Energy: 0.5887997134140891
Energy: 0.528401612989075
Energy: 0.5151712677077039
Energy: 0.5968336938380254
Energy: 0.5151712677059396
Energy: 0.5968244954337599
Energy: 0.5151712677098214
Energy: 0.5968088642287406
Energy: 0.5949271967938912
Energy: 0.5905702646300074
Energy: 0.5949271968002434
Energy: 0.5905702646303602
Energy: 0.5949271967818929
Energy: 0.5905702646293016
Energy: 0.5322633825069477
Energy: 0.6177101085094022
Energy: 0.5322633825097709
Energy: 0.6177101085079907
Energy: 0.5322633825055361
Energy: 0.6177101085079907
Energy: 0.6415712011330948
Energy: 0.6600462842644655
Energy: 0.6415712011323891
Energy: 0.6600462842542476
Energy: 0.6415712011313305
Energy: 0.6600462842570548
Energy: 0.6414543531023125
Energy: 0.660059404761076
Energy: 0.6414543530956235
Energy: 0.6600594047589586
Energy: 0.6414543531037241
Energy: 0.6600594047589586
Energy: 0.5322662648021301
Energy: 0.6177079486390116
Energy: 0.5322662648017773
Energy: 0.6177079486365412
Energy: 0.5322662648031888
Energy: 0.6177079486361884
Energy: 0.5946918929700521
Energy: 0.5906139232000266
Energy: 0.5946918930007378
Energy: 0.5906139232010853
Energy: 0.5946918929929903
Energy: 0.590613923198615
Energy: 0.5151812720805983
Energy: 0.598127773965728
Energy: 0.5151812720851859
Energy: 0.5981273323992929
Energy: 0.515181272084833
Energy: 0.5981270624800417
Energy: 0.5887685182422346
Energy: 0.5284189846224846
Energy: 0.5887685182425876
Energy: 0.5284189846214259
Energy: 0.5887685182369412
Energy: 0.528418984621073
Energy: 0.5235069187851262
Energy: 0.6882452139426865
Energy: 0.5235069187777154
Energy: 0.6882452139451567
Energy: 0.5235069187837146
Energy: 0.6882452139384517
Energy: 0.6648751652702497
Energy: 0.6428549505443435
Energy: 0.664875165262839
Energy: 0.642854950546108
Energy: 0.6648751652677795
Energy: 0.6428549505468137
Energy: 0.5905926109026354
Energy: 0.5944877634793879
Energy: 0.5905926109047527
Energy: 0.5944877634783292
Energy: 0.5905926109022824
Energy: 0.5944877634811524
Energy: 0.5887393849449079
Energy: 0.5266084278890056
Energy: 0.5887393849604353
Energy: 0.5266084278957107
Energy: 0.5887393849449079
Energy: 0.5266084278907701
Energy: 0.6446146923221007
Energy: 0.6429540740888628
Energy: 0.6446146923203364
Energy: 0.6429540740934505
Energy: 0.6446146923221007
Energy: 0.6429540741029787
Energy: 0.5267671518200043
Energy: 0.5894355720500001
Energy: 0.5267671518217528
Energy: 0.5894355720478828
Energy: 0.5267671518213999
Energy: 0.5894355720450597
Energy: 0.5944572749102663
Energy: 0.5889124052749776
Energy: 0.5944572748950918
Energy: 0.5889124052802709
Energy: 0.5944572748827566
Energy: 0.5889124052788592
Energy: 0.6468954174726317
Energy: 0.6668543314480074
Energy: 0.6468954174779251
Energy: 0.6668543314557711
Energy: 0.6468954174751019
Energy: 0.666854331456124
Energy: 0.6422505696540155
Energy: 0.5239855790114748
Energy: 0.6422505696564857
Energy: 0.5239855790125335
Energy: 0.6422505696751731
Energy: 0.5239855790128863
Energy: 0.5268161099498188
Energy: 0.5554564164273837
Energy: 0.5268161099515831
Energy: 0.555456416429854
Energy: 0.5268161099533477
Energy: 0.5554564164206787

minimum gb energy = 0.5151712677059396 eV
minimum distance =  2.6405898590152 Angstroms
sigma value = 51


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

Energy: 0.6247767295956461
Energy: 0.631437376794767
Energy: 0.6247767295940109
Energy: 0.6314373767939586
Energy: 0.6247767295931932
Energy: 0.631437376793141
Energy: 0.66507157346553
Energy: 0.5878770507276655
Energy: 0.6650715734598158
Energy: 0.5878770507268478
Energy: 0.6650715734622686
Energy: 0.5878770507268478
Energy: 0.5988475860161382
Energy: 0.6194241943412343
Energy: 0.5988475860243054
Energy: 0.6194241943330671
Energy: 0.5988475860169558
Energy: 0.6194241943289788
Energy: 0.6213735644205359
Energy: 0.5395938593465915
Energy: 0.6213735644164478
Energy: 0.5395938593449562
Energy: 0.6213735644205359
Energy: 0.5395938593449562
Energy: 0.6296287964396711
Energy: 0.6064284678213365
Energy: 0.6296287964404887
Energy: 0.6064284678229718
Energy: 0.6296287964404887
Energy: 0.6064284678197013
Energy: 0.6594644617169291
Energy: 0.6061777079881819
Energy: 0.6594644617144761
Energy: 0.6061777079881819
Energy: 0.6594644617177468
Energy: 0.6061777079898172
Energy: 0.5916192345349237
Energy: 0.6063272730882721
Energy: 0.5916192345308448
Energy: 0.6063272730907251
Energy: 0.5916192345341061
Energy: 0.6063272730923511
Energy: 0.5711864177823602
Energy: 0.6068837260836522
Energy: 0.5711864177848133
Energy: 0.6068837260836522
Energy: 0.5711864177864485
Energy: 0.6068837260852874
Energy: 0.7121390062154873
Energy: 0.5371703567804585
Energy: 0.7121390062138522
Energy: 0.5371703567820939
Energy: 0.7121390062130344
Energy: 0.5371703567812762
Energy: 0.5528205530743402
Energy: 0.6309885372545775
Energy: 0.5528205530784284
Energy: 0.6309882877511175
Energy: 0.5528205530743402
Energy: 0.6309878701690167
Energy: 0.6490154374299882
Energy: 0.5381545379344235
Energy: 0.6490154374316235
Energy: 0.5381545379344235
Energy: 0.6490154374267268
Energy: 0.5381545379311529
Energy: 0.626674744040108
Energy: 0.6322923503854891
Energy: 0.6266747440417434
Energy: 0.6322923503846715
Energy: 0.6266747440417434
Energy: 0.6322923503830361
Energy: 0.6628669263612436
Energy: 0.5871282437226124
Energy: 0.6628669263571553
Energy: 0.5871282437258829
Energy: 0.6628669263669579
Energy: 0.5871282437226124
Energy: 0.5989084408518611
Energy: 0.5801815405024102
Energy: 0.598908440854314
Energy: 0.5801815405073161
Energy: 0.5989084408534965
Energy: 0.5801815405097691
Energy: 0.6209340322479738
Energy: 0.6284871764088776
Energy: 0.6209340322487914
Energy: 0.6284871764088776
Energy: 0.6209340322487914
Energy: 0.6284871764080601
Energy: 0.6283756838427833
Energy: 0.6061744420094831
Energy: 0.6283756838468716
Energy: 0.6061744420078479
Energy: 0.628375683843601
Energy: 0.6061744420045773
Energy: 0.629322286144262
Energy: 0.6588826576397103
Energy: 0.6293222861401737
Energy: 0.6588826576487045
Energy: 0.6293222861434443
Energy: 0.6588826576462515
Energy: 0.6143594695557154
Energy: 0.6090618094069081
Energy: 0.6143594695581682
Energy: 0.6090618094060904
Energy: 0.614359469556533
Energy: 0.6090618094069081

minimum gb energy = 0.5371703567804585 eV
minimum distance =  2.51307863563946 Angstroms
sigma value = 19


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

Energy: 0.5173604880807755
Energy: 0.5236945786354748
Energy: 0.5173604880783504
Energy: 0.5236945786325757
Energy: 0.5173604880768954
Energy: 0.5236945786301507
Energy: 0.5728310042868935
Energy: 0.6290478933216191
Energy: 0.5728310042859234
Energy: 0.6290478933221041
Energy: 0.5728310042854383
Energy: 0.6290478933216191
Energy: 0.49576050668827143
Energy: 0.6278112369305638
Energy: 0.4957605066868165
Energy: 0.6278112369349289
Energy: 0.49576050668827143
Energy: 0.627811236932504
Energy: 0.5412312557046273
Energy: 0.49592020542808357
Energy: 0.5412312557031723
Energy: 0.4959202054295385
Energy: 0.5412312557055974
Energy: 0.49592020542808357
Energy: 0.5101145439462583
Energy: 0.5153705147938255
Energy: 0.5101145439481983
Energy: 0.5153705147938255
Energy: 0.5101145439462583
Energy: 0.5153705147943104
Energy: 0.5100802627628515
Energy: 0.515362475017788
Energy: 0.5100802627638216
Energy: 0.5153624750173029
Energy: 0.5100802627647915
Energy: 0.5153624750163329
Energy: 0.5413039727543799
Energy: 0.49590597216787197
Energy: 0.5413039727509849
Energy: 0.4959059721664169
Energy: 0.5413039727514699
Energy: 0.49590597216496196
Energy: 0.4958047562349323
Energy: 0.6277268225123519
Energy: 0.49580475623153714
Energy: 0.6277268225152619
Energy: 0.49580475623638726
Energy: 0.627726822518657
Energy: 0.5727792828881226
Energy: 0.6291177106826171
Energy: 0.5727792828866676
Energy: 0.6291177106816471
Energy: 0.5727792828890926
Energy: 0.6291177106826171
Energy: 0.5173604880773804
Energy: 0.5236945786296656
Energy: 0.5173604880773804
Energy: 0.5236945786282106
Energy: 0.5173604880759254
Energy: 0.5236945786345047
Energy: 0.5728310042859234
Energy: 0.6290478933201642
Energy: 0.5728310042849534
Energy: 0.6290478933191941
Energy: 0.5728310042854383
Energy: 0.6290478933201642
Energy: 0.49576050668827143
Energy: 0.627811236932504
Energy: 0.49576050668778643
Energy: 0.6278112369315338
Energy: 0.49576050668730137
Energy: 0.6278112369368689
Energy: 0.5412312557031723
Energy: 0.4959202054275985
Energy: 0.5412312557051123
Energy: 0.4959202054271135
Energy: 0.5412312557017174
Energy: 0.49592020542662846
Energy: 0.5101145439481983
Energy: 0.5153705147943104
Energy: 0.5101145439477133
Energy: 0.5153705147923704
Energy: 0.5101145439462583
Energy: 0.5153705147933405
Energy: 0.5100802627652765
Energy: 0.515362475015363
Energy: 0.5100802627604264
Energy: 0.5153624750173029
Energy: 0.5100802627633365
Energy: 0.515362475016818
Energy: 0.541303972752925
Energy: 0.4959059721644769
Energy: 0.5413039727543799
Energy: 0.4959059721630219
Energy: 0.5413039727538949
Energy: 0.4959059721644769
Energy: 0.49580475623299225
Energy: 0.6277268225099267
Energy: 0.49580475623444725
Energy: 0.6277268225152619
Energy: 0.49580475623396225
Energy: 0.6277268225133219
Energy: 0.5727792828861825
Energy: 0.6291177106826171
Energy: 0.5727792828895776
Energy: 0.6291177106821322
Energy: 0.5727792828890926
Energy: 0.6291177106831022
Energy: 0.5173604880778654
Energy: 0.5236945786335457
Energy: 0.5173604880768954
Energy: 0.5236945786330607
Energy: 0.5173604880773804
Energy: 0.5236945786340197
Energy: 0.5728310042815583
Energy: 0.6290478933201642
Energy: 0.5728310042888225
Energy: 0.6290478933196791
Energy: 0.5728310042859234
Energy: 0.6290478933201642
Energy: 0.49576050668730137
Energy: 0.6278112369320189
Energy: 0.49576050668536137
Energy: 0.6278112369339589
Energy: 0.49576050668827143
Energy: 0.627811236935414
Energy: 0.5412312557036573
Energy: 0.4959202054271135
Energy: 0.5412312557046273
Energy: 0.49592020542808357
Energy: 0.5412312557051123
Energy: 0.4959202054285686
Energy: 0.5101145439477133
Energy: 0.5153705147938255
Energy: 0.5101145439477133
Energy: 0.5153705147928554
Energy: 0.5101145439486834
Energy: 0.5153705147947955
Energy: 0.5100802627677016
Energy: 0.515362475016818
Energy: 0.5100802627667315
Energy: 0.5153624750143929
Energy: 0.5100802627643066
Energy: 0.5153624750163329
Energy: 0.5413039727524399
Energy: 0.49590597216399196
Energy: 0.5413039727509849
Energy: 0.4959059721635069
Energy: 0.54130397275341
Energy: 0.4959059721635069
Energy: 0.4958047562334772
Energy: 0.6277268225142919
Energy: 0.49580475623299225
Energy: 0.6277268225157469
Energy: 0.49580475623444725
Energy: 0.6277268225162319
Energy: 0.5727792828886076
Energy: 0.6291177106821322
Energy: 0.5727792828920028
Energy: 0.6291177106826171
Energy: 0.5727792828905476
Energy: 0.6291177106811622
Energy: 0.5173604880788354
Energy: 0.5236945786316057
Energy: 0.5173604880783504
Energy: 0.5236945786306357
Energy: 0.5173604880749554
Energy: 0.5236945786335457
Energy: 0.5728310042820434
Energy: 0.6290478933211342
Energy: 0.5728310042873784
Energy: 0.6290478933206491
Energy: 0.5728310042893074
Energy: 0.6290478933206491
Energy: 0.49576050668827143
Energy: 0.627811236934444
Energy: 0.49576050668730137
Energy: 0.627811236932504
Energy: 0.49576050668827143
Energy: 0.6278112369329889

minimum gb energy = 0.49576050668536137 eV
minimum distance =  2.52985428171315 Angstroms
sigma value = 27


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

Energy: 0.5060443233014804
Energy: 0.4906214902246606
Energy: 0.5060443233026684
Energy: 0.49062149022584867
Energy: 0.5060443233002923
Energy: 0.4906214902246606
Energy: 0.5788701105919153
Energy: 0.5078505639389788
Energy: 0.5788701105907272
Energy: 0.5078505639354147
Energy: 0.578870110575283
Energy: 0.5078505639366028
Energy: 0.5623377713904316
Energy: 0.5603631086608523
Energy: 0.5623377713880555
Energy: 0.5603631086620403
Energy: 0.5083757984180142
Energy: 0.5603631086632282
Energy: 0.5668815177005758
Energy: 0.4773025849200478
Energy: 0.5668815177077039
Energy: 0.4773025849212358
Energy: 0.5668815177005758
Energy: 0.47730258492371985
Energy: 0.5654610456531781
Energy: 0.4772275604041503
Energy: 0.5654610456484259
Energy: 0.4772275604041503
Energy: 0.565461045649614
Energy: 0.47722756040533837
Energy: 0.5791517681092803
Energy: 0.6021422971681953
Energy: 0.5791517681116563
Energy: 0.6021422971742434
Energy: 0.5791517681080922
Energy: 0.6021422971706795
Energy: 0.5409422411046906
Energy: 0.5091995150699431
Energy: 0.5409422411011264
Energy: 0.509199515068755
Energy: 0.5409422411023144
Energy: 0.5091995150699431
Energy: 0.5021534026043037
Energy: 0.4929917164277637
Energy: 0.5021534026090558
Energy: 0.4929917164301397
Energy: 0.5021534026054917
Energy: 0.4929917164301397
Energy: 0.5750920274196499
Energy: 0.5082198923067036
Energy: 0.5750920274196499
Energy: 0.5082198911014033
Energy: 0.5750920274184619
Energy: 0.508219892710455
Energy: 0.5485378398216624
Energy: 0.5800209034453401
Energy: 0.5485378398240384
Energy: 0.5800209034465279
Energy: 0.5485378398228504
Energy: 0.5800209034524682
Energy: 0.5060128618518518
Energy: 0.47785754766992516
Energy: 0.5844761823894741
Energy: 0.47785754766992516
Energy: 0.5844761823859235
Energy: 0.47785754767111316
Energy: 0.5978372264535546
Energy: 0.5503486104966437
Energy: 0.5978372264559307
Energy: 0.5503486104978317
Energy: 0.5978372264511786
Energy: 0.5503486104954556

minimum gb energy = 0.4772275604041503 eV
minimum distance =  2.5061662423284 Angstroms
sigma value = 9


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

Energy: 0.506436961460138
Energy: 0.4844035793296982
Energy: 0.5064369614574674
Energy: 0.4844035793293644
Energy: 0.5064369614574674
Energy: 0.48440357933203476
Energy: 0.4778654430188243
Energy: 0.4625673339666976
Energy: 0.47786544304052164
Energy: 0.47806515096971797
Energy: 0.477865443065208
Energy: 0.457800869549192
Energy: 0.4375962529805939
Energy: 0.4870216912347539
Energy: 0.4375962529739178
Energy: 0.48702169121873135
Energy: 0.4375962529749192
Energy: 0.4870216912210679
Energy: 0.4537909032156437
Energy: 0.43489241278816926
Energy: 0.45379090321330706
Energy: 0.4348924127808256
Energy: 0.45379090321497606
Energy: 0.4348924127788227
Energy: 0.47156635175675843
Energy: 0.46351954900511766
Energy: 0.47156635175642464
Energy: 0.46351954900545145
Energy: 0.47156635176209927
Energy: 0.46351954900344855
Energy: 0.49021066920664497
Energy: 0.49856222413076895
Energy: 0.4902106692089816
Energy: 0.5198394277832128
Energy: 0.4902106691973136
Energy: 0.48337812931578883
Energy: 0.46386748718759085
Energy: 0.4979748849216677
Energy: 0.46386748718925985
Energy: 0.49797488492266917
Energy: 0.463867487187257
Energy: 0.49797488492433817
Energy: 0.42660451983341313
Energy: 0.4958672734260831
Energy: 0.4266045198400892
Energy: 0.495867273429755
Energy: 0.4266045198340807
Energy: 0.49586727341606907
Energy: 0.48247071377641015
Energy: 0.4574139249898594
Energy: 0.4824707137860753
Energy: 0.4574139249815143
Energy: 0.48247071377273826
Energy: 0.4574139250051992
Energy: 0.4680569012646537
Energy: 0.4585187349436845
Energy: 0.46805690127099603
Energy: 0.458518734937676
Energy: 0.46805690127700444
Energy: 0.4585187349340042
Energy: 0.45558793040958856
Energy: 0.4392412983078746
Energy: 0.4555879304069182
Energy: 0.43924129830687314
Energy: 0.45558793040791956
Energy: 0.4392412983075407
Energy: 0.4518396911246426
Energy: 0.4733249257317792
Energy: 0.4518396911213045
Energy: 0.47332492573610346
Energy: 0.4518396911209707
Energy: 0.47332492573478346
Energy: 0.47747312227738814
Energy: 0.4724046295260948
Energy: 0.4774731222730488
Energy: 0.4724046295381117
Energy: 0.47747312228005867
Energy: 0.47240462953644274
Energy: 0.5033950528351522
Energy: 0.485089880997832
Energy: 0.5033950528354859
Energy: 0.48508988098648265
Energy: 0.5033950528231351
Energy: 0.48508988102685796
Energy: 0.4430085640797689
Energy: 0.48559816621084834
Energy: 0.4430085640841084
Energy: 0.4855981662085117
Energy: 0.4430085640854436
Energy: 0.4855981662095132
Energy: 0.4411819088046862
Energy: 0.48070175252832925
Energy: 0.4411819088176895
Energy: 0.480701752523656
Energy: 0.44118190880301716
Energy: 0.4807017525239898
Energy: 0.536335371022001
Energy: 0.4357657238484898
Energy: 0.5363353710266743
Energy: 0.43576572383246714
Energy: 0.5363353710126544
Energy: 0.4357657238604916
Energy: 0.4505828910388121
Energy: 0.46612097354072884
Energy: 0.4505828910384783
Energy: 0.46612097354206405
Energy: 0.4505828910404812
Energy: 0.4661209735423979
Energy: 0.42964018007490534
Energy: 0.5189681964276218
Energy: 0.42964018007423777
Energy: 0.518968196420612
Energy: 0.4296401800755729
Energy: 0.5189681964172739
Energy: 0.5218635615302122
Energy: 0.45309093847232434
Energy: 0.5218635615218671
Energy: 0.4530909384689863
Energy: 0.5218635614978483
Energy: 0.45309093846498066
Energy: 0.42980062044592465
Energy: 0.5188358545960795
Energy: 0.4298006204395824
Energy: 0.51883585456672
Energy: 0.42980062044191897
Energy: 0.5188358544489324
Energy: 0.45080816931102113
Energy: 0.46591033469491516
Energy: 0.45080816931102113
Energy: 0.4659103346942475
Energy: 0.4508081693126902
Energy: 0.46591033469458126
Energy: 0.5363120500609259
Energy: 0.4357093374627685
Energy: 0.5363120500702725
Energy: 0.4357093374594457
Energy: 0.5363120500706063
Energy: 0.43570933746510515
Energy: 0.4410007888602223
Energy: 0.4649408588836708
Energy: 0.4410007888602223
Energy: 0.46494085889901066
Energy: 0.4410007888452011
Energy: 0.46494085889800923
Energy: 0.44306893206299386
Energy: 0.48574225008211214
Energy: 0.44306893206266007
Energy: 0.48574225007543603
Energy: 0.4430689320659829
Energy: 0.48574225006176525
Energy: 0.5034209786517726
Energy: 0.4849289024443631
Energy: 0.5034209786604515
Energy: 0.4849289024466997
Energy: 0.5034209786961534
Energy: 0.4849289024450307
Energy: 0.4775860880117773
Energy: 0.47250047563933395
Energy: 0.4775860880267834
Energy: 0.47250047563766495
Energy: 0.47758608801943964
Energy: 0.4725004756413368
Energy: 0.45180139776257067
Energy: 0.44059624787003715
Energy: 0.45180139776090167
Energy: 0.4405962478733752
Energy: 0.4518013977575636
Energy: 0.4405962478740428
Energy: 0.45568802459151475
Energy: 0.43935605739386396
Energy: 0.45568802458617386
Energy: 0.4393560573918612
Energy: 0.45568802459017954
Energy: 0.439356057392195
Energy: 0.4680450876592575
Energy: 0.42158989887560727
Energy: 0.46804508765425046
Energy: 0.42158989887126774
Energy: 0.4680450876569208
Energy: 0.4215898988782777
Energy: 0.482683516737741
Energy: 0.4576999962557405
Energy: 0.48268351673707344
Energy: 0.4576999962503996
Energy: 0.4826835167180617
Energy: 0.45769999626375174
Energy: 0.42674637423483414
Energy: 0.4959462350643375
Energy: 0.4267463742338327
Energy: 0.4959462350663403
Energy: 0.4267463742321637
Energy: 0.4959462350640037
Energy: 0.46400909814447405
Energy: 0.5000066307110487
Energy: 0.46400909814614305
Energy: 0.5000066307140529
Energy: 0.4640090981434726
Energy: 0.5000066307143868
Energy: 0.49008191251413935
Energy: 0.4486784667233675
Energy: 0.4900819125028051
Energy: 0.44867846672370126
Energy: 0.4900819125018037
Energy: 0.4486784667280407
Energy: 0.47141041062046113
Energy: 0.4654150163186746
Energy: 0.47141041061845834
Energy: 0.4654150163153365
Energy: 0.47141041062379924
Energy: 0.4654150163183408
Energy: 0.4537751401842454
Energy: 0.43531849030977965
Energy: 0.45377514019092147
Energy: 0.43531849031278386
Energy: 0.4537751401839116
Energy: 0.4353184903121162
Energy: 0.43752800690715965
Energy: 0.48704595411980556
Energy: 0.4375280069101638
Energy: 0.48704595409744067
Energy: 0.4375280069114991
Energy: 0.4870459541121281
Energy: 0.4776969202906827
Energy: 0.4572979005144352
Energy: 0.4776969203187071
Energy: 0.4572979005257846
Energy: 0.47769692038710676
Energy: 0.457297900530124
Energy: 0.5064369614508065
Energy: 0.4844035793417152
Energy: 0.5064369614491374
Energy: 0.48440357933837713
Energy: 0.5064369614461333
Energy: 0.48440357934638845
Energy: 0.47786544290572514
Energy: 0.43049056755812215
Energy: 0.47786544295476413
Energy: 0.4304905675641306
Energy: 0.47786544297212197
Energy: 0.4304905675647982
Energy: 0.4375962529742516
Energy: 0.48702169119471256
Energy: 0.4375962529665741
Energy: 0.48702169120038724
Energy: 0.437596252973584
Energy: 0.4870216911907069
Energy: 0.4537909032206508
Energy: 0.43489241276949137
Energy: 0.4537909032209846
Energy: 0.4348924127724804
Energy: 0.45379090322031695
Energy: 0.43489241277014384
Energy: 0.471566351745758
Energy: 0.4635195489981077
Energy: 0.471566351745758
Energy: 0.4635195490044501
Energy: 0.4715663517464257
Energy: 0.46351954900344855

minimum gb energy = 0.42158989887126774 eV
minimum distance =  2.59118967644549 Angstroms
sigma value = 57


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

Energy: 0.22067231271347293
Energy: 0.22565029296585276
Energy: 0.2206723127149926
Energy: 0.22565029296283062
Energy: 0.22067231271423277
Energy: 0.2256502929650929
Energy: 0.27096459254088345
Energy: 0.2211041841241618
Energy: 0.27096459254164335
Energy: 0.22110418412112234
Energy: 0.27096459254164335
Energy: 0.22110418413176042
Energy: 0.2442616041583201
Energy: 0.26864674406767636
Energy: 0.24426160415756024
Energy: 0.2686467440631172
Energy: 0.2442616041583201
Energy: 0.26864674406539685
Energy: 0.2272283216575776
Energy: 0.22558987773063038
Energy: 0.22722832166287935
Energy: 0.2255898777321501
Energy: 0.22722832165985718
Energy: 0.22558987773366984
Energy: 0.27074712115253835
Energy: 0.27444895704374345
Energy: 0.27074712115557775
Energy: 0.27444895704374345
Energy: 0.2707471211548179
Energy: 0.2744489570429836
Energy: 0.2207814584493299
Energy: 0.24433152220439544
Energy: 0.22078145845084962
Energy: 0.24433152220439544
Energy: 0.2207814584493299
Energy: 0.24433152220667503
Energy: 0.2207894142595224
Energy: 0.24445542493783923
Energy: 0.22078941425496323
Energy: 0.24445542493479983
Energy: 0.2207894142595224
Energy: 0.24445542494542058
Energy: 0.27081767742258966
Energy: 0.2745286539667013
Energy: 0.2708176774286685
Energy: 0.27452865396820375
Energy: 0.2708176774218298
Energy: 0.27452865396594145
Energy: 0.22722582983255188
Energy: 0.22558391913204023
Energy: 0.22722582982799266
Energy: 0.22558391913204023
Energy: 0.22722582982875253
Energy: 0.22558391913204023
Energy: 0.24420183542740825
Energy: 0.2687056527551912
Energy: 0.24420183542740825
Energy: 0.26870565275595104
Energy: 0.24420183542512874
Energy: 0.26870565275747077
Energy: 0.27097753290644905
Energy: 0.22119527883017992
Energy: 0.27097753290644905
Energy: 0.22119527882866022
Energy: 0.27097753290188986
Energy: 0.22119527883472181
Energy: 0.2206723127157525
Energy: 0.22565029296131087
Energy: 0.2206723127157525
Energy: 0.22565029296585276
Energy: 0.22067231271423277
Energy: 0.22565029296585276
Energy: 0.2709645925348046
Energy: 0.2211041841241618
Energy: 0.27096459254468275
Energy: 0.22110418412492164
Energy: 0.27096459254012356
Energy: 0.22110418412796107
Energy: 0.24426160415604053
Energy: 0.2686467440638771
Energy: 0.24426160415907994
Energy: 0.2686467440669166
Energy: 0.24426160415680037
Energy: 0.26864674406539685
Energy: 0.22722832166287935
Energy: 0.2255898777344297
Energy: 0.22722832166061704
Energy: 0.22558987773518957
Energy: 0.22722832167275753
Energy: 0.22558987773366984
Energy: 0.27074712115253835
Energy: 0.27444895704070404
Energy: 0.2707471211548179
Energy: 0.2744489570429836
Energy: 0.2707471211548179
Energy: 0.2744489570422237
Energy: 0.22078145844857003
Energy: 0.2443315222028757
Energy: 0.22078145845008978
Energy: 0.24433152220363558
Energy: 0.22078145844781016
Energy: 0.244331522201356
Energy: 0.22078941425800264
Energy: 0.24445542493479983
Energy: 0.22078941425648294
Energy: 0.24445542494314101
Energy: 0.22078941426028226
Energy: 0.24445542493783923
Energy: 0.2708176774248693
Energy: 0.2745286539689636
Energy: 0.2708176774241094
Energy: 0.2745286539704833
Energy: 0.2708176774271488
Energy: 0.27452865396820375

minimum gb energy = 0.22067231271347293 eV
minimum distance =  2.68364681455336 Angstroms
sigma value = 11


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

Energy: 0.3768447977620065
Energy: 0.3714331351367554
Energy: 0.37684479776256313
Energy: 0.37143313513786863
Energy: 0.37684479776033675
Energy: 0.37143313513063264
Energy: 0.4747433396452376
Energy: 0.4030632844519409
Energy: 0.47474333962799536
Energy: 0.4030632844697526
Energy: 0.47474333962242926
Energy: 0.4030632844630732
Energy: 0.48884587046282074
Energy: 0.5346966233561977
Energy: 0.48884587046393396
Energy: 0.5346966233534273
Energy: 0.48884587046003763
Energy: 0.5346966233561977
Energy: 0.43435354748111565
Energy: 0.3523745574475334
Energy: 0.43435354747666277
Energy: 0.3523745574514297
Energy: 0.43435354746720034
Energy: 0.35237455745031643
Energy: 0.3535787655345901
Energy: 0.3423897413062678
Energy: 0.35357876553625994
Energy: 0.3423897412990318
Energy: 0.35357876553570333
Energy: 0.34238974129958843
Energy: 0.43908079673177364
Energy: 0.34737404756531925
Energy: 0.4390807967362139
Energy: 0.34737404755084733
Energy: 0.4390807967362139
Energy: 0.3473740475608663
Energy: 0.384070087694863
Energy: 0.36682280449765087
Energy: 0.3840700876920799
Energy: 0.36682280449209737
Energy: 0.38407008769430634
Energy: 0.3668228044998773
Energy: 0.43740180481807445
Energy: 0.3256391243411183
Energy: 0.43740180483808716
Energy: 0.3256391243322378
Energy: 0.4374018048280935
Energy: 0.3256391243383352
Energy: 0.4893221860238559
Energy: 0.32857704177007685
Energy: 0.48932218601884636
Energy: 0.32857704177007685
Energy: 0.4893221860199595
Energy: 0.3285770417728599
Energy: 0.33113750359484195
Energy: 0.505392946662916
Energy: 0.33113750358927585
Energy: 0.5053929466701393
Energy: 0.3311375035915023
Energy: 0.5053929466618027
Energy: 0.44304795164941346
Energy: 0.4469154647931587
Energy: 0.44304795167611827
Energy: 0.4469154648025958
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Energy: 0.4469154647981429
Energy: 0.3535175535576248
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Energy: 0.35581526458988877
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Energy: 0.5218081288777545
Energy: 0.4804426044137095
Energy: 0.521808128884978
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Energy: 0.4738878552946754
Energy: 0.3392500969016378
Energy: 0.47388785529244903
Energy: 0.33925009690330765
Energy: 0.47388785529133576
Energy: 0.33925009691110025
Energy: 0.3604447588174964
Energy: 0.37147529520728856
Energy: 0.3604447588091598
Energy: 0.37147529522120387
Energy: 0.3604447588174964
Energy: 0.3714752952189775
Energy: 0.35934142382625794
Energy: 0.40266315096945277
Energy: 0.35934142387077433
Energy: 0.4026631509649998
Energy: 0.35934142386242507
Energy: 0.4026631509644432
Energy: 0.5670404646107365
Energy: 0.3849726151162945
Energy: 0.567040464577365
Energy: 0.38497261510571884
Energy: 0.5670404645951768
Energy: 0.3849726151096151
Energy: 0.4355097030895328
Energy: 0.34979730474713694
Energy: 0.43550970308619313
Energy: 0.34979730474880677
Energy: 0.4355097030923032
Energy: 0.3497973047432406
Energy: 0.35326626888411544
Energy: 0.35772866983351337
Energy: 0.3532662688613196
Energy: 0.35772866982962975
Energy: 0.35326626888745516
Energy: 0.35772866980014195
Energy: 0.3329406176335956
Energy: 0.3493713504738847
Energy: 0.3329406176341523
Energy: 0.349371350470545
Energy: 0.3329406176341523
Energy: 0.3493713504749979
Energy: 0.3512946299913414
Energy: 0.36639881116389605
Energy: 0.3512946300047001
Energy: 0.36639881116389605
Energy: 0.3512946299913414
Energy: 0.3663988111555468
Energy: 0.3607304336314672
Energy: 0.36708380041856364
Energy: 0.3607304336715432
Energy: 0.36708380041411076
Energy: 0.3607304336481655
Energy: 0.36708380041800703
Energy: 0.36251697842774194
Energy: 0.349261159868825
Energy: 0.36251697835652086
Energy: 0.3492611598693816
Energy: 0.3625169783303854
Energy: 0.3492611598699383
Energy: 0.33325831235299325
Energy: 0.5055665574660377
Energy: 0.33325831235076686
Energy: 0.505566557456588
Energy: 0.33325831234742714
Energy: 0.5055665574365499
Energy: 0.6736262778633704
Energy: 0.446158666921708
Energy: 0.673626277859474
Energy: 0.44615866691447204
Energy: 0.6736262778600307
Energy: 0.4461586669011387

minimum gb energy = 0.3256391243322378 eV
minimum distance =  2.58179477955839 Angstroms
sigma value = 41


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

Energy: 0.42773972729804
Energy: 0.3845577479274049
Energy: 0.4277397272962852
Energy: 0.38455774792433395
Energy: 0.42773972729321424
Energy: 0.38455774792872094
Energy: 0.39997633902144347
Energy: 0.40491111788679296
Energy: 0.3999763390047827
Energy: 0.40491111789030254
Energy: 0.3999763390179339
Energy: 0.40491111785040035
Energy: 0.45527993561484015
Energy: 0.4356723383556117
Energy: 0.45527993560825947
Energy: 0.4356723383560505
Energy: 0.45527993560343377
Energy: 0.43567233834903124
Energy: 0.39396095053256824
Energy: 0.37043456429217886
Energy: 0.39396095056369634
Energy: 0.37043456429261756
Energy: 0.3939609505457194
Energy: 0.3704345642930562
Energy: 0.36983411142908645
Energy: 0.4009219050628111
Energy: 0.3698341114330348
Energy: 0.4009219050628111
Energy: 0.3698341114286478
Energy: 0.400921905061495
Energy: 0.5166382684074211
Energy: 0.408952664378348
Energy: 0.5166382684047889
Energy: 0.4089526644002733
Energy: 0.5166382684104921
Energy: 0.4089526643928153
Energy: 0.36883271758978614
Energy: 0.5607591301729683
Energy: 0.36883271758934744
Energy: 0.5607591301707749
Energy: 0.36883271758978614
Energy: 0.5607591301742845
Energy: 0.3551798835966312
Energy: 0.37804950591146724
Energy: 0.35517988359794733
Energy: 0.37804950591497694
Energy: 0.35517988359531516
Energy: 0.37804950591497694
Energy: 0.3767866609890822
Energy: 0.3983685934796413
Energy: 0.3767866609925918
Energy: 0.39836859348008
Energy: 0.3767866609917145
Energy: 0.3983685934787639
Energy: 0.3986863941716353
Energy: 0.3999511024034852
Energy: 0.3986863941637486
Energy: 0.3999511023977821
Energy: 0.3986863941703192
Energy: 0.3999511023999755
Energy: 0.3943449250709495
Energy: 0.4066583905186987
Energy: 0.39434492507051067
Energy: 0.4066583905226471
Energy: 0.3943449250678785
Energy: 0.4066583905235245
Energy: 0.35252048735577596
Energy: 0.45754266623691664
Energy: 0.3525204873566534
Energy: 0.45754266624130363
Energy: 0.3525204873566534
Energy: 0.3967448459190648
Energy: 0.3546012135473642
Energy: 0.369695212547804
Energy: 0.35460121354560936
Energy: 0.3696952125399072
Energy: 0.35460121354999646
Energy: 0.3696952125464879
Energy: 0.34914161065645793
Energy: 0.4031971292354998
Energy: 0.3491416106498873
Energy: 0.40319712923944817
Energy: 0.34914161065601923
Energy: 0.40319712922805184
Energy: 0.3943244387053552
Energy: 0.38044299202140647
Energy: 0.39432443871369066
Energy: 0.38044299201659065
Energy: 0.39432443870886486
Energy: 0.3804429919872073
Energy: 0.3443959149897196
Energy: 0.37551071912585987
Energy: 0.344395914990597
Energy: 0.3755107191219115
Energy: 0.344395914990597
Energy: 0.3755107191298082
Energy: 0.3595450022046518
Energy: 0.3713575328524357
Energy: 0.359545002202897
Energy: 0.3713575328524357
Energy: 0.3595450021993873
Energy: 0.3713575328524357
Energy: 0.3668114227367061
Energy: 0.43576993422785937
Energy: 0.36681142273802214
Energy: 0.43576993422873683
Energy: 0.36681142274153183
Energy: 0.43576993422172744
Energy: 0.40373813778389384
Energy: 0.40511498146558117
Energy: 0.40373813779135176
Energy: 0.4051149814497878
Energy: 0.40373813778784207
Energy: 0.4051149814278625
Energy: 0.39199194549207733
Energy: 0.41954006357341206
Energy: 0.391991945496903
Energy: 0.4983064061477818
Energy: 0.39199194549251604
Energy: 0.3937636664328293
Energy: 0.3601028084490008
Energy: 0.4060878516335574
Energy: 0.36010280844987824
Energy: 0.4060878516274154
Energy: 0.3601028084503169
Energy: 0.40608785162873157
Energy: 0.3758386985892741
Energy: 0.43148672061868415
Energy: 0.375838698587958
Energy: 0.4314867206182454
Energy: 0.37583869858137736
Energy: 0.43148672061736804
Energy: 0.3939214812870813
Energy: 0.37304892577674215
Energy: 0.39392148128752
Energy: 0.3730489257741099
Energy: 0.3939214812870813
Energy: 0.3730489257749873
Energy: 0.343107506646795
Energy: 0.41258824106855474
Energy: 0.343107506646795
Energy: 0.4889572964444383
Energy: 0.3431075066494273
Energy: 0.4095328775305951
Energy: 0.343417741561388
Energy: 0.3884525195014883
Energy: 0.343417741561388
Energy: 0.38845251949841736
Energy: 0.34341774155701094
Energy: 0.38845251949797865
Energy: 0.3676714106514786
Energy: 0.36920120351340646
Energy: 0.36767141064972375
Energy: 0.36920120351472263
Energy: 0.3676714106475303
Energy: 0.36920120351646746
Energy: 0.3546952047247924
Energy: 0.37311268808042397
Energy: 0.35469520472391497
Energy: 0.37311268807823045
Energy: 0.35469520472084404
Energy: 0.3731126880786691
Energy: 0.3756059066314903
Energy: 0.40540760558143735
Energy: 0.375605906628868
Energy: 0.4336335556495205
Energy: 0.3756059066284293
Energy: 0.405407605583621
Energy: 0.3911159222297161
Energy: 0.4180849255891199
Energy: 0.3911159222270839
Energy: 0.4180849255939458
Energy: 0.3911159222235742
Energy: 0.41808492558824256
Energy: 0.4295471600001453
Energy: 0.34697669787118296
Energy: 0.4295471599913712
Energy: 0.34697669787206037
Energy: 0.4295471599940035
Energy: 0.34697669787074426
Energy: 0.3529595108409894
Energy: 0.3972622402628739
Energy: 0.35295951084449906
Energy: 0.39726224026111906
Energy: 0.35295951084186683
Energy: 0.39726224026900575
Energy: 0.37801609595685465
Energy: 0.3930446201824787
Energy: 0.37801609595817076
Energy: 0.3930446201837948
Energy: 0.37801609595860947
Energy: 0.3930446201837948
Energy: 0.34352161414611904
Energy: 0.37483665349934364
Energy: 0.3435216141426094
Energy: 0.37483665349934364
Energy: 0.3435216141465478
Energy: 0.3748366534997824

minimum gb energy = 0.343107506646795 eV
minimum distance =  2.62994592716113 Angstroms
sigma value = 33


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

Energy: 0.43634230655876394
Energy: 0.3927922349944198
Energy: 0.43634230654429323
Energy: 0.39279223498673654
Energy: 0.43634230655476136
Energy: 0.39279223499288035
Energy: 0.428105428807806
Energy: 0.37081164037438896
Energy: 0.4281054288145796
Energy: 0.37081164037223374
Energy: 0.4281054287964142
Energy: 0.3708116403756205
Energy: 0.39385225597124923
Energy: 0.4437718329624034
Energy: 0.39385225597740703
Energy: 0.4437718330005675
Energy: 0.39385225598262713
Energy: 0.4437718329186973
Energy: 0.4098015200699055
Energy: 0.38305953437287915
Energy: 0.40980152008376036
Energy: 0.3830595343750344
Energy: 0.40980152006898185
Energy: 0.383059534375958
Energy: 0.3979378730487058
Energy: 0.4146650694567321
Energy: 0.3979378730499373
Energy: 0.4146650694419675
Energy: 0.39793787304624273
Energy: 0.4146650694382728
Energy: 0.44952540998929064
Energy: 0.393609107592421
Energy: 0.44952540998313284
Energy: 0.3936091075948841
Energy: 0.4495254099652894
Energy: 0.3936091075948841
Energy: 0.3846015819566522
Energy: 0.4224832365779391
Energy: 0.3846015819581917
Energy: 0.42248323657486025
Energy: 0.38460158195603644
Energy: 0.42248323656348236
Energy: 0.40759412061842193
Energy: 0.4035152554062022
Energy: 0.40759412061719036
Energy: 0.4035152554006742
Energy: 0.4075941206211929
Energy: 0.4035152554056004
Energy: 0.4501622291429085
Energy: 0.4074026942452133
Energy: 0.45016222914937415
Energy: 0.4074026942492159
Energy: 0.4501622291530688
Energy: 0.4074026942452133
Energy: 0.4839730328496564
Energy: 0.3819443530206283
Energy: 0.48397303272193887
Energy: 0.38194435302155205
Energy: 0.4839730327936488
Energy: 0.38194435302155205
Energy: 0.4082598744966163
Energy: 0.4060149114926385
Energy: 0.4082598744883034
Energy: 0.4060149114926385
Energy: 0.40825987449138235
Energy: 0.4060149114889439
Energy: 0.4142223010161123
Energy: 0.3837730987700039
Energy: 0.41422230097579293
Energy: 0.3837730987718512
Energy: 0.4142223010456556
Energy: 0.3837730987681565
Energy: 0.40752649681793984
Energy: 0.4505704649256771
Energy: 0.40752649682071085
Energy: 0.4505704647822713
Energy: 0.40752649681793984
Energy: 0.45057046490075214
Energy: 0.4191886652653957
Energy: 0.4144536726022162
Energy: 0.419188665262009
Energy: 0.414453672602832
Energy: 0.41918866526046955
Energy: 0.4144536726105291
Energy: 0.41110728602175556
Energy: 0.38209046323725576
Energy: 0.4111072860220634
Energy: 0.38209046323879525
Energy: 0.41110728601622754
Energy: 0.3820904632344848
Energy: 0.397723515655166
Energy: 0.4517625442388321
Energy: 0.3977235156582449
Energy: 0.4517625442400637
Energy: 0.39772351565978437
Energy: 0.451762544244682
Energy: 0.41505018003549893
Energy: 0.37381263354939365
Energy: 0.4150501801989174
Energy: 0.37381263354846994
Energy: 0.41505018013151795
Energy: 0.3738126335500093
Energy: 0.3794936924352018
Energy: 0.3933410746250749
Energy: 0.3794936924287362
Energy: 0.393341074619533
Energy: 0.37949369243212294
Energy: 0.39334107463154055
Energy: 0.4467025590235442
Energy: 0.39337406467745617
Energy: 0.44670255902385214
Energy: 0.39337406468269026
Energy: 0.4467025590189259
Energy: 0.39337406468176656
Energy: 0.45209830686010366
Energy: 0.40721685643433303
Energy: 0.4520983068717895
Energy: 0.4072168564331015
Energy: 0.452098306875792
Energy: 0.4072168564371041
Energy: 0.3742653427646981
Energy: 0.4131347175509492
Energy: 0.3742653427616192
Energy: 0.41313471755341236
Energy: 0.37426534276562173
Energy: 0.41313471755033343
Energy: 0.36749400420143824
Energy: 0.4315263129802692
Energy: 0.36749400420113026
Energy: 0.4315263129756509
Energy: 0.36749400419651196
Energy: 0.43152631297811395
Energy: 0.41106986859668193
Energy: 0.3608764758252592
Energy: 0.4110698685976056
Energy: 0.36087647584125543
Energy: 0.4110698685883689
Energy: 0.36087647582926174
Energy: 0.3728595317660686
Energy: 0.4089986060460486
Energy: 0.3728595317657607
Energy: 0.4089986060571325
Energy: 0.37285953176545283
Energy: 0.40899860605958166
Energy: 0.41411030748301586
Energy: 0.37354919254926305
Energy: 0.4141103074824002
Energy: 0.3735491925526498
Energy: 0.4141103074904052
Energy: 0.37354919255111046
Energy: 0.3900709782229249
Energy: 0.4141488648770553
Energy: 0.3900709782266196
Energy: 0.4141488648856622
Energy: 0.390070978222617
Energy: 0.41414886485981356
Energy: 0.4294509500149643
Energy: 0.38744686287282476
Energy: 0.42945095002204564
Energy: 0.3874468628755958
Energy: 0.429450950023893
Energy: 0.38744686287405633
Energy: 0.41231351959122997
Energy: 0.3883838926012769
Energy: 0.41231351958354673
Energy: 0.38838389260066114
Energy: 0.41231351960262186
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Energy: 0.3937592612425975
Energy: 0.45063169888370885
Energy: 0.3937592612484334
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Energy: 0.3937592612487412
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Energy: 0.378697611132844
Energy: 0.4446935050254632
Energy: 0.37869761113407546
Energy: 0.4446935050190116
Energy: 0.3786976111377701
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Energy: 0.39150895672486113
Energy: 0.376501325335345
Energy: 0.3915089567233357
Energy: 0.376501325338116
Energy: 0.39150895671810165
Energy: 0.3765013253334976
Energy: 0.3884519654033267
Energy: 0.4148095120713617
Energy: 0.3884519654042503
Energy: 0.414809510730174
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Energy: 0.414809507870861
Energy: 0.4516419953697935
Energy: 0.38613743098307696
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Energy: 0.3861374309861558
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Energy: 0.3861374309821533
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Energy: 0.41469265530005667
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Energy: 0.4106623044834432
Energy: 0.41469265529605415
Energy: 0.41065235162032376
Energy: 0.41454751998669137
Energy: 0.41065235163631997
Energy: 0.41454751998239486
Energy: 0.410652351608624
Energy: 0.41454751998455014
Energy: 0.4517730317313724
Energy: 0.386172453749198
Energy: 0.4517730317332198
Energy: 0.3861724537485823
Energy: 0.4517730317258305
Energy: 0.38617245374889014
Energy: 0.3885371350451029
Energy: 0.41455924195058347
Energy: 0.3885371350570965
Energy: 0.4145592419284296
Energy: 0.38853713504787385
Energy: 0.41455924196105176
Energy: 0.39134968324854724
Energy: 0.3764911364491915
Energy: 0.39134968326885383
Energy: 0.37649113645504145
Energy: 0.3913496832426974
Energy: 0.3764911364393531
Energy: 0.37868507814879593
Energy: 0.666409372769001
Energy: 0.3786850781558773
Energy: 0.6664093727699247
Energy: 0.37868507815310637
Energy: 0.6664093727880901
Energy: 0.3939749159395035
Energy: 0.45071272500471526
Energy: 0.3939749159376562
Energy: 0.4507127250096415
Energy: 0.3939749159296511
Energy: 0.4507127249896288
Energy: 0.41242392044934145
Energy: 0.3882527793994416
Energy: 0.4124239204459547
Energy: 0.38825277938989705
Energy: 0.4124239204521125
Energy: 0.3882527793929759
Energy: 0.42962804118989584
Energy: 0.38738823544845924
Energy: 0.42962804118620124
Energy: 0.3873882354533855
Energy: 0.42962804119081954
Energy: 0.3873882354536934
Energy: 0.38990231777793544
Energy: 0.41418842997288585
Energy: 0.3899023177748566
Energy: 0.41418842998119876
Energy: 0.3899023177850169
Energy: 0.4141884299845855
Energy: 0.4141034156088329
Energy: 0.3735633466346627
Energy: 0.414103415608525
Energy: 0.3735633466325075
Energy: 0.41410341561160385
Energy: 0.3735633466362021
Energy: 0.37281132139829337
Energy: 0.4089630417870555
Energy: 0.3728113213973697
Energy: 0.40896304178797915
Energy: 0.372811321396754
Energy: 0.40896304177874254
Energy: 0.4113185421863332
Energy: 0.36098135233277256
Energy: 0.41131854218756464
Energy: 0.3609813523690894
Energy: 0.4113185421706448
Energy: 0.3609813523435487
Energy: 0.36754431045312647
Energy: 0.4313423013109025
Energy: 0.3675443104451214
Energy: 0.43134230130720785
Energy: 0.36754431045097125
Energy: 0.4313423013124419

minimum gb energy = 0.3608764758252592 eV
minimum distance =  2.61571081352759 Angstroms
sigma value = 67


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

Energy: 0.4683539034281059
Energy: 0.4326048265793304
Energy: 0.4683539034313912
Energy: 0.43260482657727267
Energy: 0.46835390342933353
Energy: 0.43260482657706223
Energy: 0.43686385987355153
Energy: 0.37211703300574084
Energy: 0.43686385987211346
Energy: 0.3721170330073893
Energy: 0.4368638598708859
Energy: 0.37211703300882737
Energy: 0.4990252378388387
Energy: 0.4935519405454894
Energy: 0.6316052200461441
Energy: 0.49355194054610907
Energy: 0.6316045661011472
Energy: 0.4935519405448698
Energy: 0.4369300973698433
Energy: 0.3723560307616117
Energy: 0.436930097370042
Energy: 0.3723560307616117
Energy: 0.4369300973704512
Energy: 0.3723560307636694
Energy: 0.46835390342913485
Energy: 0.4326048265704799
Energy: 0.4683539034274863
Energy: 0.43260482656966154
Energy: 0.4683539034285152
Energy: 0.4326048265723272
Energy: 0.43686385986779924
Energy: 0.37211703300512117
Energy: 0.43686385986655996
Energy: 0.37211703300348437
Energy: 0.43686385986739007
Energy: 0.37211703300533167
Energy: 0.375150824462094
Energy: 0.4935519405434317
Energy: 0.3751508244526239
Energy: 0.49355194054446055
Energy: 0.3751508244625032
Energy: 0.49355194054446055

minimum gb energy = 0.37211703300348437 eV
minimum distance =  2.62205031522247 Angstroms
sigma value = 3


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

Energy: 0.5361900452885893
Energy: 0.5112068031251805
Energy: 0.5361900453104307
Energy: 0.5112068031235004
Energy: 0.5361900452804814
Energy: 0.5112068031260205
Energy: 0.4811330173728334
Energy: 0.42936592776466825
Energy: 0.4811330173812213
Energy: 0.429365927773909
Energy: 0.481133017366953
Energy: 0.42936592777977656
Energy: 0.46551437063618145
Energy: 0.544695220687987
Energy: 0.4655143706387016
Energy: 0.5446952206683984
Energy: 0.46551437062583345
Energy: 0.5446952206762262
Energy: 0.4976213200894461
Energy: 0.4567214241755802
Energy: 0.49762132008972615
Energy: 0.4567214242144773
Energy: 0.4976213200928064
Energy: 0.4567214241786604
Energy: 0.4972308674681646
Energy: 0.4896535748254991
Energy: 0.4972308674706847
Energy: 0.4896531829995264
Energy: 0.4972308674698447
Energy: 0.4896524078983562
Energy: 0.46458070987877625
Energy: 0.45466009554394105
Energy: 0.46458070987345595
Energy: 0.4546600955534489
Energy: 0.46458070986785555
Energy: 0.45466009555092873
Energy: 0.47971203223580056
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Energy: 0.4907492504716918
Energy: 0.47971203221033165
Energy: 0.4907492504672243
Energy: 0.4478536251306598
Energy: 0.4955621171248422
Energy: 0.4478536251214319
Energy: 0.48259429043102536
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Energy: 0.4825942903590859
Energy: 0.49794548174944725
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Energy: 0.49794548175084724
Energy: 0.48154738237494915
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Energy: 0.47347687124405946
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Energy: 0.4545799507644958
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Energy: 0.5216127990951435
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Energy: 0.48726559395848057
Energy: 0.44775666137924564
Energy: 0.48726512462657967
Energy: 0.44775666139072634
Energy: 0.48726511401604833
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Energy: 0.4564477696633209
Energy: 0.5191442539788482
Energy: 0.4564477696756417
Energy: 0.519144253976888
Energy: 0.45644776947103693
Energy: 0.47441323767078813
Energy: 0.4547836567066478
Energy: 0.4744132372047601
Energy: 0.45478365669684717
Energy: 0.4744132354251883
Energy: 0.45478365673407695
Energy: 0.49176224560711856
Energy: 0.463327516243697
Energy: 0.49176224563426774
Energy: 0.46332751623921664
Energy: 0.4917622456185994
Energy: 0.4633275162453771
Energy: 0.47686459551878285
Energy: 0.5068395978763982
Energy: 0.47686459550422194
Energy: 0.5068395978755581
Energy: 0.4768645955115024
Energy: 0.5068395978755581
Energy: 0.4986541691876177
Energy: 0.4349011295938296
Energy: 0.4984088081505011
Energy: 0.43490112959633714
Energy: 0.4742737615343747
Energy: 0.43490112958878935
Energy: 0.469287315175469
Energy: 0.4551383304098185
Energy: 0.46928731526698425
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Energy: 0.4692873148250379
Energy: 0.4551383303988977
Energy: 0.49183549429662227
Energy: 0.505362662301229
Energy: 0.49183549429634227
Energy: 0.5053626622973086
Energy: 0.4918354942873817
Energy: 0.5053626622989889
Energy: 0.4475115088538836
Energy: 0.4616738006674305
Energy: 0.4475115088656317
Energy: 0.46167380073516967
Energy: 0.4475115088328822
Energy: 0.46167380073208947
Energy: 0.5120957263614591
Energy: 0.45713333957309593
Energy: 0.5120957263594988
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Energy: 0.5120957263614591
Energy: 0.4571333395868169
Energy: 0.44530744324815097
Energy: 0.5100433451214852
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Energy: 0.5100433451265255
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Energy: 0.5100433450238094
Energy: 0.4685215865758716
Energy: 0.47970601752441494
Energy: 0.4685215865509499
Energy: 0.47970601753001524
Energy: 0.46852158649777176
Energy: 0.4797060175319627
Energy: 0.4445701595254202
Energy: 0.45205068593830333
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Energy: 0.4520506859304628
Energy: 0.44457015959203927
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Energy: 0.4951465997360544
Energy: 0.4573182441684006
Energy: 0.4951466030595236
Energy: 0.45731824416028
Energy: 0.49514659141114004
Energy: 0.4573182441633602
Energy: 0.44643358933410837
Energy: 0.47784190329975784
Energy: 0.4464335893508968
Energy: 0.4778419031959089
Energy: 0.44643358935733723
Energy: 0.47784190318220066
Energy: 0.4689700251078569
Energy: 0.5076347458353853
Energy: 0.4689700251053367
Energy: 0.507634745846026
Energy: 0.4689700251064568
Energy: 0.5076347458409856
Energy: 0.46981544406105974
Energy: 0.4593030755085796
Energy: 0.469815443912166
Energy: 0.45930307550437927
Energy: 0.46981544274387577
Energy: 0.4309953278250509
Energy: 0.49664545424712414
Energy: 0.434652807797896
Energy: 0.49664545373071817
Energy: 0.4346528078913842
Energy: 0.49664545052256587
Energy: 0.43465280789530447
Energy: 0.4761278598116667
Energy: 0.4662433469919416
Energy: 0.4761278598287352
Energy: 0.4662433469871813
Energy: 0.4761278597937455
Energy: 0.4662433469897015
Energy: 0.46852002527317016
Energy: 0.46370888758368567
Energy: 0.46852002525330144
Energy: 0.4637088875926463
Energy: 0.46852002527064995
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Energy: 0.475141823845369
Energy: 0.43198264347762977
Energy: 0.4751417151812925
Energy: 0.43198264348211013
Energy: 0.4751412380856735
Energy: 0.43198264347762977
Energy: 0.48921995639166804
Energy: 0.4836484136413606
Energy: 0.4892199562984599
Energy: 0.4836476722274704
Energy: 0.4892199562391213
Energy: 0.48364671561935013
Energy: 0.47642055056990323
Energy: 0.4734268689915116
Energy: 0.4764205506443501
Energy: 0.4734268264217611
Energy: 0.4764205506261616
Energy: 0.47342676073076423
Energy: 0.4386184787762475
Energy: 0.47698343597809767
Energy: 0.4386184787759675
Energy: 0.4769834359750175
Energy: 0.43861847877540744
Energy: 0.47698343597697757
Energy: 0.473480688069699
Energy: 0.4578305147223017
Energy: 0.4734766812691436
Energy: 0.457830514726782
Energy: 0.4734636823231514
Energy: 0.457830514727062
Energy: 0.44486540839939204
Energy: 0.5101653269724367
Energy: 0.4448654084041524
Energy: 0.5101650121703905
Energy: 0.4448654084086327
Energy: 0.5101644263130192
Energy: 0.4768411293767325
Energy: 0.45750944072545474
Energy: 0.47684112934958334
Energy: 0.4575092800728953
Energy: 0.4768411293935337
Energy: 0.45750887730696155
Energy: 0.4185123358159649
Energy: 0.5095232621561634
Energy: 0.4185123358067243
Energy: 0.5095232621318144
Energy: 0.4185123358126047
Energy: 0.5095232621553233
Energy: 0.5020414824973616
Energy: 0.45635077861299306
Energy: 0.5020414827562647
Energy: 0.45635077861299306
Energy: 0.5020414825768488
Energy: 0.4563507786152332
Energy: 0.4501202356980573
Energy: 0.4664040584575798
Energy: 0.4501202357053379
Energy: 0.42964405277037365
Energy: 0.4501202357075779
Energy: 0.4302612723805858
Energy: 0.5489965210972959
Energy: 0.4329629971930198
Energy: 0.548996521138446
Energy: 0.4329629972294095
Energy: 0.5489965209903797
Energy: 0.432962997232757
Energy: 0.4444449414507399
Energy: 0.45509551819686606
Energy: 0.44444494144571234
Energy: 0.4550955182119871
Energy: 0.44444494142387087
Energy: 0.4550955182055466
Energy: 0.5091258605688735
Energy: 0.43165470457738625
Energy: 0.5091258605786743
Energy: 0.43165470457458605
Energy: 0.509125860560753
Energy: 0.43165470457766625
Energy: 0.47857229113693545
Energy: 0.4786002527476205
Energy: 0.4785722911209871
Energy: 0.4786002527493007
Energy: 0.47857229112854766
Energy: 0.4786002527467806
Energy: 0.5097966907016319
Energy: 0.4427853491799156
Energy: 0.5097966907161802
Energy: 0.4427853491717951
Energy: 0.5097966907044321
Energy: 0.44278534918047563
Energy: 0.46950317463630414
Energy: 0.45465953938338793
Energy: 0.469503174649185
Energy: 0.4546595394639953
Energy: 0.46950317463882424
Energy: 0.4546595393713471
Energy: 0.47597428434415634
Energy: 0.4555753922405019
Energy: 0.46797339643042757
Energy: 0.4555753922494498
Energy: 0.46711955022025353
Energy: 0.4555753922228607
Energy: 0.44915188095808045
Energy: 0.4879517770506205
Energy: 0.44915188095052
Energy: 0.48795177707384924
Energy: 0.44915188096200076
Energy: 0.48795177703857967
Energy: 0.4773744494215489
Energy: 0.45430019280361456
Energy: 0.4773744494372172
Energy: 0.45430019278234585
Energy: 0.4773744494291094
Energy: 0.4543001927859861
Energy: 0.47352792005610084
Energy: 0.45423799946351806
Energy: 0.47352791956908413
Energy: 0.4542379994587704
Energy: 0.4735279177366143
Energy: 0.4542379994607178

minimum gb energy = 0.4185123358067243 eV
minimum distance =  2.59631972796481 Angstroms
sigma value = 81


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

Energy: 0.4923751130365686
Energy: 0.4994324119908014
Energy: 0.49237511303503134
Energy: 0.49943241199195443
Energy: 0.492375113033494
Energy: 0.49943241199195443
Energy: 0.4738137430071742
Energy: 0.4521625682779777
Energy: 0.4738137430052526
Energy: 0.4521625682752874
Energy: 0.47381374301255474
Energy: 0.45216256828795265
Energy: 0.49543931564107063
Energy: 0.42669324233498757
Energy: 0.4954393156237936
Energy: 0.42669324233614053
Energy: 0.4954393156260996
Energy: 0.42669324233614053
Energy: 0.4839465252270331
Energy: 0.4824759909999891
Energy: 0.4839465252235741
Energy: 0.4824759909919358
Energy: 0.48394652522280557
Energy: 0.48247599100921285
Energy: 0.44942749981345376
Energy: 0.4476312422923646
Energy: 0.4494274998199873
Energy: 0.4476312422912116
Energy: 0.44942749980884195
Energy: 0.44763124228390944
Energy: 0.4486933226448288
Energy: 0.42667615383027246
Energy: 0.44869332264060136
Energy: 0.42667615382412327
Energy: 0.4486933226413699
Energy: 0.42667615382104873
Energy: 0.43184150257963255
Energy: 0.42662501725019186
Energy: 0.4318415025112581
Energy: 0.4266250172513448
Energy: 0.43184150257963255
Energy: 0.42662501724788593
Energy: 0.4505744131441668
Energy: 0.4537032892193562
Energy: 0.4505744131441668
Energy: 0.4537032892109011
Energy: 0.45057441314455116
Energy: 0.4537032892193562
Energy: 0.5533153087429817
Energy: 0.4987125796627803
Energy: 0.5533153087402914
Energy: 0.498712579652788
Energy: 0.553315308747978
Energy: 0.4987125796297461
Energy: 0.475715514546667
Energy: 0.523363378058626
Energy: 0.4757155145263154
Energy: 0.5233633780605476
Energy: 0.4757155145044091
Energy: 0.5233633780620848
Energy: 0.49302107203076495
Energy: 0.45241663876620025
Energy: 0.49302107202653733
Energy: 0.45241663876620025
Energy: 0.49302107202999634
Energy: 0.4524166387673532
Energy: 0.426648030527551
Energy: 0.444756813066336
Energy: 0.4266480305267824
Energy: 0.44475681306479875
Energy: 0.4266480305333159
Energy: 0.4447568130797873
Energy: 0.450150354275288
Energy: 0.4702812065032626
Energy: 0.4501503542668329
Energy: 0.47028120650441557
Energy: 0.4501503542718291
Energy: 0.4702812065040313
Energy: 0.49979135238407435
Energy: 0.4273937550745423
Energy: 0.4997913523844587
Energy: 0.4273937550745423
Energy: 0.4997913523886862
Energy: 0.42739375507915417
Energy: 0.5227486462483848
Energy: 0.454639681754579
Energy: 0.522748646249922
Energy: 0.45463968174881414
Energy: 0.5227486462503064
Energy: 0.4546396817507357
Energy: 0.45062478703835596
Energy: 0.4272064482240598
Energy: 0.45062478703797165
Energy: 0.4272064482248284
Energy: 0.45062478703874026
Energy: 0.4272064482248284
Energy: 0.5043146351616039
Energy: 0.4275287673510506
Energy: 0.5043146351631412
Energy: 0.4275287673545095
Energy: 0.504314635171212
Energy: 0.42752876735527817
Energy: 0.411053168573988
Energy: 0.5182950625176269
Energy: 0.411053168573988
Energy: 0.5182950625433591
Energy: 0.41105316857629387
Energy: 0.5182950625256978
Energy: 0.42738255422381877
Energy: 0.48005239735027744
Energy: 0.42738255421997556
Energy: 0.48005239736834054
Energy: 0.4273825542153811
Energy: 0.48005239732223937
Energy: 0.48226001913734823
Energy: 0.5751379128843823
Energy: 0.48226001913619526
Energy: 0.5751379128882256
Energy: 0.4822600191308148
Energy: 0.5751379128836136
Energy: 0.42580348768172127
Energy: 0.4503960705277403
Energy: 0.42580348768095255
Energy: 0.45039607053081493
Energy: 0.42580348768095255
Energy: 0.45039607053235214
Energy: 0.45514610265178834
Energy: 0.4525668151217347
Energy: 0.4551461026544785
Energy: 0.45256681512442487
Energy: 0.4551461026556315
Energy: 0.45256681512480923
Energy: 0.45480533171968035
Energy: 0.42460002277499354
Energy: 0.4548053317212177
Energy: 0.42460002277653086
Energy: 0.4548053317146841
Energy: 0.42460002277038167
Energy: 0.4575079308277631
Energy: 0.469701019479582
Energy: 0.4575079308277631
Energy: 0.46970101948111925
Energy: 0.45750793082737873
Energy: 0.46970101948265663
Energy: 0.4995457062270661
Energy: 0.48307027209458053
Energy: 0.4995457062247602
Energy: 0.4785877110626139
Energy: 0.49954570623129363
Energy: 0.47898246410790524
Energy: 0.5234222015550152
Energy: 0.5393851851826817
Energy: 0.5234222015442541
Energy: 0.5393851851711695
Energy: 0.523422201540411
Energy: 0.5393851851711695
Energy: 0.41032592921876776
Energy: 0.48323673727824806
Energy: 0.41032592922067196
Energy: 0.4832367372809383
Energy: 0.4103259292176148
Energy: 0.48323673728016964
Energy: 0.4452561752597184
Energy: 0.4276417876774426
Energy: 0.4452561752597184
Energy: 0.4276417876820544
Energy: 0.44525617527355404
Energy: 0.42764178767667393
Energy: 0.4509636342251305
Energy: 0.4786080311400081
Energy: 0.45096363422397756
Energy: 0.47860803113847084
Energy: 0.4509636342255148
Energy: 0.4786080311369335
Energy: 0.4269667781504868
Energy: 0.4396625629224089
Energy: 0.4269667781881329
Energy: 0.4396625629235619
Energy: 0.42696677809285594
Energy: 0.43966256292202466
Energy: 0.4819444978407227
Energy: 0.5212154069053991
Energy: 0.4819444978407227
Energy: 0.5212154068915635
Energy: 0.4819444978364952
Energy: 0.5212154069119327
Energy: 0.44889228354996724
Energy: 0.4697813336829441
Energy: 0.4488922835480456
Energy: 0.46978133368140684
Energy: 0.4488922835488143
Energy: 0.46978133368102254
Energy: 0.4269111361263218
Energy: 0.4377705856934633
Energy: 0.4269111361209413
Energy: 0.43777058567347854
Energy: 0.4269111361320866
Energy: 0.43777058572073274
Energy: 0.4265399486009008
Energy: 0.4313754070521787
Energy: 0.4265399485978262
Energy: 0.4313754070744519
Energy: 0.4265399485974419
Energy: 0.43137540707176164
Energy: 0.44516997121565705
Energy: 0.6094119121513991
Energy: 0.44516997122257485
Energy: 0.6094119121617583
Energy: 0.4451699712083549
Energy: 0.6094119121667545
Energy: 0.5734321143643277
Energy: 0.4820418758086335
Energy: 0.5734321143581785
Energy: 0.4820418758013488
Energy: 0.5734321143581785
Energy: 0.4820418757940467
Energy: 0.45090358580737394
Energy: 0.4486746527762646
Energy: 0.45090358581006423
Energy: 0.44867465279432783
Energy: 0.4509035858035307
Energy: 0.44867465277857055
Energy: 0.4525727349250016
Energy: 0.42650497548131394
Energy: 0.4525727349257702
Energy: 0.42650497548208255
Energy: 0.4525727349288448
Energy: 0.4265049754809296

minimum gb energy = 0.4103259292176148 eV
minimum distance =  2.64336746648613 Angstroms
sigma value = 43


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

Energy: 0.6016874133527077
Energy: 0.4405049802539832
Energy: 0.601687413354124
Energy: 0.4405049802530391
Energy: 0.6016874133545961
Energy: 0.4405049802544552
Energy: 0.5121193062202828
Energy: 0.4409550126537139
Energy: 0.5121193062198107
Energy: 0.44095501265465803
Energy: 0.512119306221699
Energy: 0.44095501265465803
Energy: 0.4727241875142933
Energy: 0.5417969719017657
Energy: 0.5231560257279022
Energy: 0.5417969718994053
Energy: 0.5231560257255418
Energy: 0.5417969719069584
Energy: 0.48053405521583575
Energy: 0.4822654643758941
Energy: 0.4805340552134754
Energy: 0.48226546438155893
Energy: 0.4805340552163078
Energy: 0.48226546439005624
Energy: 0.5148772556927531
Energy: 0.5050968948462031
Energy: 0.5148772556927531
Energy: 0.50509689485705
Energy: 0.5148772556936972
Energy: 0.5050968948584662
Energy: 0.4816460566108651
Energy: 0.4796001590950569
Energy: 0.48164605661133714
Energy: 0.4796001590922244
Energy: 0.4816460566155858
Energy: 0.47960015909080816
Energy: 0.5385441452702057
Energy: 0.5410462993754852
Energy: 0.5385441452734994
Energy: 0.54104629936275
Energy: 0.5385441452725553
Energy: 0.5410462993839824
Energy: 0.4700915287851393
Energy: 0.5104570486663043
Energy: 0.4700915287865555
Energy: 0.5104570486601674
Energy: 0.47009152878608346
Energy: 0.5104570486681925
Energy: 0.5243164012498425
Energy: 0.458895078369566
Energy: 0.4182368998036404
Energy: 0.4588950783690939
Energy: 0.41393896977410294
Energy: 0.458895078369566
Energy: 0.4433656335765616
Energy: 0.48182292679985794
Energy: 0.443365633603459
Energy: 0.48182292678191935
Energy: 0.443365633584104
Energy: 0.48182292680221833
Energy: 0.5783870106238633
Energy: 0.5075142825757006
Energy: 0.5783870106252795
Energy: 0.5075142825657978
Energy: 0.5783870106248075
Energy: 0.5075142826077907
Energy: 0.4702802469064568
Energy: 0.4863540245861124
Energy: 0.4702802469121217
Energy: 0.48635402458187443
Energy: 0.47028024691448206
Energy: 0.48635402458564037
Energy: 0.5410692512860482
Energy: 0.4788998201462392
Energy: 0.5410692512869923
Energy: 0.4788998201457672
Energy: 0.5410692512874643
Energy: 0.4788998201452951
Energy: 0.42290008882399377
Energy: 0.5569500595356154
Energy: 0.42290008882446584
Energy: 0.5569500595360874
Energy: 0.42290008882446584
Energy: 0.5569500595346712
Energy: 0.4553598339574139
Energy: 0.4776618412249574
Energy: 0.45535983395976354
Energy: 0.47766184027368014
Energy: 0.45535983395929147
Energy: 0.47766175672301403
Energy: 0.49865024633411825
Energy: 0.46581800108600707
Energy: 0.4986502463312858
Energy: 0.4663911539849645
Energy: 0.49865024633931104
Energy: 0.46665369731119727
Energy: 0.5254016555665162
Energy: 0.4420016639893948
Energy: 0.5254016555702927
Energy: 0.4420016639893948
Energy: 0.5254016555702927
Energy: 0.4420016639893948
Energy: 0.536857919738306
Energy: 0.48613651860814056
Energy: 0.5368579197411385
Energy: 0.4861365186034198
Energy: 0.5368579197406663
Energy: 0.48613651860483603
Energy: 0.5369374368383854
Energy: 0.4821707628286421
Energy: 0.5369374368459385
Energy: 0.4821707628342962
Energy: 0.5369374368464105
Energy: 0.4821707628286421
Energy: 0.5253310975632709
Energy: 0.4397659083324086
Energy: 0.5253310975604384
Energy: 0.43976590833617446
Energy: 0.5253310975561898
Energy: 0.4397659083342862
Energy: 0.4985308576032722
Energy: 0.45729545870166993
Energy: 0.4985308576028002
Energy: 0.45729545869930954
Energy: 0.4985308576042164
Energy: 0.45729545870166993
Energy: 0.5073127291669891
Energy: 0.4944289343895097
Energy: 0.5073127291660451
Energy: 0.49442893439847907
Energy: 0.5073127291679332
Energy: 0.4944289343928142
Energy: 0.42323045540811643
Energy: 0.5213719979048187
Energy: 0.4232304554071723
Energy: 0.5213719979010422
Energy: 0.42323045540576687
Energy: 0.5213719979048187
Energy: 0.5396329905333109
Energy: 0.4789310827741835
Energy: 0.539632990533783
Energy: 0.4789310827755997
Energy: 0.539632990533783
Energy: 0.47893108277654384
Energy: 0.4686916513112317
Energy: 0.4789374363756092
Energy: 0.4686916513117037
Energy: 0.4789374363756092
Energy: 0.4686916513150082
Energy: 0.4789374363756092
Energy: 0.5071225611717476
Energy: 0.4941087824753517
Energy: 0.5071225611774017
Energy: 0.49410878247251927
Energy: 0.5071225611665547
Energy: 0.4941087824739355
Energy: 0.4924031333065446
Energy: 0.44109000796778397
Energy: 0.49240313330371216
Energy: 0.44109000796400744
Energy: 0.49240313330135177
Energy: 0.4410900079706164
Energy: 0.5209549130426427
Energy: 0.45948207991535633
Energy: 0.5209543048501692
Energy: 0.45948207991299594
Energy: 0.5209546413040882
Energy: 0.4594820799167726
Energy: 0.46880486948518396
Energy: 0.5098742224535391
Energy: 0.46880486948518396
Energy: 0.5098742224615644
Energy: 0.46880486948565603
Energy: 0.5098742224615644
Energy: 0.5060797499481482
Energy: 0.5182241086384222
Energy: 0.5060797499448437
Energy: 0.5182241086388941
Energy: 0.506079749946732
Energy: 0.5182241086360725
Energy: 0.48180953213157324
Energy: 0.47996615563079703
Energy: 0.481809532129685
Energy: 0.4799661556364619
Energy: 0.48180953213346156
Energy: 0.4799661556364619

minimum gb energy = 0.41393896977410294 eV
minimum distance =  2.61624511691538 Angstroms
sigma value = 57


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

Energy: 0.552141591229449
Energy: 0.4680006912708509
Energy: 0.5521415912208917
Energy: 0.4680006912726846
Energy: 0.5521415912221143
Energy: 0.4680006912732958
Energy: 0.49178519550507743
Energy: 0.4171217211787973
Energy: 0.49178519550385497
Energy: 0.41712172117757484
Energy: 0.49178519550385497
Energy: 0.41712172117696367
Energy: 0.4969296743503193
Energy: 0.5482570982142205
Energy: 0.49692967433503854
Energy: 0.5482570982148317
Energy: 0.49692967434604074
Energy: 0.5482570982166656
Energy: 0.4934867500115877
Energy: 0.4777227680423911
Energy: 0.49348675001279635
Energy: 0.4777227680338338
Energy: 0.49348675001585246
Energy: 0.47772276803688996
Energy: 0.44055078442988393
Energy: 0.47602233322139836
Energy: 0.44055078442988393
Energy: 0.4760223327314131
Energy: 0.44055078442988393
Energy: 0.47602233160785895
Energy: 0.464756383969944
Energy: 0.4172514299160477
Energy: 0.464756383972389
Energy: 0.4172514299111578
Energy: 0.46475638395284347
Energy: 0.4172514299093242
Energy: 0.49003439396980386
Energy: 0.5501173767521284
Energy: 0.4900343939740825
Energy: 0.5501173767539619
Energy: 0.49003439396858145
Energy: 0.5501173767496834
Energy: 0.4865584238146548
Energy: 0.47281898063306554
Energy: 0.48655842381039005
Energy: 0.4728189806324543
Energy: 0.48655842381526604
Energy: 0.4728189806324543
Energy: 0.43748209332222665
Energy: 0.4188305915336078
Energy: 0.4374820933106271
Energy: 0.41883059153605273
Energy: 0.4374820932971801
Energy: 0.4188305915274956
Energy: 0.3914096997045518
Energy: 0.49074029027040833
Energy: 0.39140969970210693
Energy: 0.4907402902734644
Energy: 0.39140969970516304
Energy: 0.4907402902734644
Energy: 0.4902044888688242
Energy: 0.47662139775808565
Energy: 0.4902044888688242
Energy: 0.4766213977464723
Energy: 0.4902044888688242
Energy: 0.4766213977648093
Energy: 0.4378039241141464
Energy: 0.41664990817315184
Energy: 0.43780392411779995
Energy: 0.4191266013788991
Energy: 0.437803924112924
Energy: 0.4187925204235574
Energy: 0.45162910717946086
Energy: 0.4191183996997513
Energy: 0.4516291071996176
Energy: 0.41911839969486137
Energy: 0.451629107182517
Energy: 0.41911839969791753
Energy: 0.49383992859655423
Energy: 0.45243583922236663
Energy: 0.49383992859961034
Energy: 0.4524358392248116
Energy: 0.4938399285935119
Energy: 0.4524358392242004
Energy: 0.4387808712500914
Energy: 0.4172270419043962
Energy: 0.43878087124825765
Energy: 0.4172270419056186
Energy: 0.4387808712568149
Energy: 0.41722704190989723
Energy: 0.44520350332124164
Energy: 0.4860036074748279
Energy: 0.4452035033279652
Energy: 0.48600360747605037
Energy: 0.4452035033255203
Energy: 0.48600360747727284
Energy: 0.3877608341475155
Energy: 0.49137165071413746
Energy: 0.3877608341444595
Energy: 0.4913716507116925
Energy: 0.3877608341475155
Energy: 0.4913716507153599
Energy: 0.4889464492722431
Energy: 0.4338815873886297
Energy: 0.4889464492722431
Energy: 0.43388158739474203
Energy: 0.4889464492704094
Energy: 0.4338815873959645
Energy: 0.3875431245854586
Energy: 0.49140621099012904
Energy: 0.3875431245946132
Energy: 0.49140621099196274
Energy: 0.3875431245903346
Energy: 0.4914062109907403
Energy: 0.44513538580048084
Energy: 0.4896325708858085
Energy: 0.4451353857980359
Energy: 0.489632570887031
Energy: 0.4451353857980359
Energy: 0.489632570887031
Energy: 0.43872850478527325
Energy: 0.41693869616930357
Energy: 0.4387285047797722
Energy: 0.41693869616808105
Energy: 0.4387285047724374
Energy: 0.41693869617297086
Energy: 0.43912771441495296
Energy: 0.4903576687813383
Energy: 0.439127714420454
Energy: 0.49035766877950465
Energy: 0.43912771441739795
Energy: 0.4903576687813383
Energy: 0.4515307494533342
Energy: 0.41886995657243187
Energy: 0.45153074945761285
Energy: 0.41886995657304305
Energy: 0.4515307494557792
Energy: 0.41886995657059817
Energy: 0.43779477486611057
Energy: 0.42052947768609267
Energy: 0.43779477485267737
Energy: 0.42063669011341703
Energy: 0.4377947748685555
Energy: 0.42038335735176025

minimum gb energy = 0.3875431245854586 eV
minimum distance =  2.64403949273507 Angstroms
sigma value = 17


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

Energy: 0.45031399614320466
Energy: 0.42558821359481785
Energy: 0.4503139961501199
Energy: 0.4255882135654377
Energy: 0.45031399615098433
Energy: 0.4255882135628444
Energy: 0.4259732542451218
Energy: 0.4418210001516809
Energy: 0.42597325424339305
Energy: 0.44182100015427417
Energy: 0.42597325424339305
Energy: 0.4418210001603153
Energy: 0.43569677505444443
Energy: 0.5271113102438154
Energy: 0.43569677505703774
Energy: 0.527111310242951
Energy: 0.4356967750475292
Energy: 0.5271113102446798
Energy: 0.3802164200665205
Energy: 0.5221972802797716
Energy: 0.380216420061334
Energy: 0.522197280280636
Energy: 0.3802164200621984
Energy: 0.522197280274585
Energy: 0.41987560950867364
Energy: 0.4961298902507655
Energy: 0.4198756095147147
Energy: 0.49612989024990106
Energy: 0.41987560950867364
Energy: 0.4961298902524943
Energy: 0.474046805582137
Energy: 0.5011528692126803
Energy: 0.4740468055804081
Energy: 0.5011528692152736
Energy: 0.4740468055795437
Energy: 0.5011528692126803
Energy: 0.42864809309888685
Energy: 0.441870480694383
Energy: 0.42864809309629365
Energy: 0.4418704806935186
Energy: 0.42864809310061563
Energy: 0.44187048069524737
Energy: 0.38051624099873343
Energy: 0.4662450187438957
Energy: 0.38051624100132664
Energy: 0.46624501874562446
Energy: 0.3805162410004623
Energy: 0.46624501873957364
Energy: 0.46601124936790245
Energy: 0.4389208855760393
Energy: 0.4660112493644449
Energy: 0.43892088557863246
Energy: 0.4660112493644449
Energy: 0.4389208855777681
Energy: 0.47195231147661454
Energy: 0.4382739390421835
Energy: 0.4719523114757502
Energy: 0.4382739390326749
Energy: 0.47195231147834343
Energy: 0.43827393903440376
Energy: 0.4515757288610752
Energy: 0.41673330789861773
Energy: 0.4515757288610752
Energy: 0.41673330789861773
Energy: 0.4515757288576176
Energy: 0.41673330789948215
Energy: 0.4326105331389005
Energy: 0.4189578507068549
Energy: 0.43261053313458825
Energy: 0.41895785070599045
Energy: 0.4326105331337239
Energy: 0.41895785070599045
Energy: 0.41161925803276844
Energy: 0.4648715475998959
Energy: 0.41161925803449717
Energy: 0.4648715476007603
Energy: 0.4116192580310396
Energy: 0.4648715476007603
Energy: 0.47189912725451666
Energy: 0.50531532753527
Energy: 0.471899127255381
Energy: 0.5053153275344056
Energy: 0.4718991272527878
Energy: 0.5053153275344056
Energy: 0.46625924700732796
Energy: 0.39457033665089164
Energy: 0.46625924700732796
Energy: 0.39457033665348484
Energy: 0.4662592470038703
Energy: 0.39457033665348484
Energy: 0.47122869595891503
Energy: 0.4653220954811536
Energy: 0.4712286959563218
Energy: 0.4653220954811536
Energy: 0.4712286959537285
Energy: 0.465322095482018
Energy: 0.4718380803130392
Energy: 0.42951783665059035
Energy: 0.4718380803095816
Energy: 0.4295178366358953
Energy: 0.47183808030785274
Energy: 0.42951783663762416

minimum gb energy = 0.380216420061334 eV
minimum distance =  2.57132880259712 Angstroms
sigma value = 17


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

Energy: 0.4077127763908692
Energy: 0.41479602493545364
Energy: 0.4077127763858622
Energy: 0.41479602493545364
Energy: 0.40771277638619596
Energy: 0.41479602493511986
Energy: 0.40773757623946716
Energy: 0.40301680906811166
Energy: 0.40773757624614315
Energy: 0.40301680907011445
Energy: 0.40773757624013474
Energy: 0.40301680907510634
Energy: 0.4307809973907948
Energy: 0.4379768957904648
Energy: 0.43078099738445247
Energy: 0.4379768957854577
Energy: 0.4307809973998075
Energy: 0.437976895788462
Energy: 0.3869873573973902
Energy: 0.4600184979846684
Energy: 0.3869873574030649
Energy: 0.46001849799034306
Energy: 0.3869873574023973
Energy: 0.46001849799000927
Energy: 0.4110318254560939
Energy: 0.408422529236519
Energy: 0.41103182538035055
Energy: 0.4084225292201626
Energy: 0.4110318254207258
Energy: 0.4084225292295091
Energy: 0.4495300571810875
Energy: 0.40612517830888434
Energy: 0.4495300571830904
Energy: 0.40612517830888434
Energy: 0.44953005718076894
Energy: 0.40612517830554623
Energy: 0.41959600626440396
Energy: 0.42660389969615997
Energy: 0.4195960062593969
Energy: 0.42660389969348955
Energy: 0.41959600626807586
Energy: 0.42660389969415713
Energy: 0.4322846452306338
Energy: 0.4281282091293809
Energy: 0.43228464522462534
Energy: 0.42812820913271893
Energy: 0.4322846452349733
Energy: 0.42812820913271893
Energy: 0.4359852041838528
Energy: 0.44598489629575433
Energy: 0.4359852041885261
Energy: 0.44598489629208243
Energy: 0.4359852041875247
Energy: 0.4459848962854064
Energy: 0.42010318707534355
Energy: 0.3795703264683791
Energy: 0.4201031870766788
Energy: 0.3795703264667101
Energy: 0.42010318707202066
Energy: 0.3795703264717171
Energy: 0.39091736972686963
Energy: 0.4283231610341952
Energy: 0.39091736971920726
Energy: 0.4283231610335276
Energy: 0.39091736972954
Energy: 0.4283231610321924
Energy: 0.471018869640605
Energy: 0.42407024346016114
Energy: 0.47101886964461065
Energy: 0.4240702434554879
Energy: 0.47101886963793455
Energy: 0.4240702434524988
Energy: 0.4310495457872412
Energy: 0.41290206196517787
Energy: 0.4310495457899116
Energy: 0.4129020619708526
Energy: 0.4310495457845707
Energy: 0.41290206196684687
Energy: 0.4244563077322737
Energy: 0.4035935719853074
Energy: 0.4244563077279343
Energy: 0.40359357198897916
Energy: 0.4244563077299371
Energy: 0.40359357198330453
Energy: 0.43086496011338693
Energy: 0.4175311902321166
Energy: 0.4308649601147222
Energy: 0.4175311902277772
Energy: 0.43086496010837994
Energy: 0.4175311902324504
Energy: 0.39457421262093983
Energy: 0.4337397193032118
Energy: 0.3945742126179356
Energy: 0.4337397193002076
Energy: 0.3945742126182694
Energy: 0.43373971930254424
Energy: 0.43079699841955216
Energy: 0.44168999777450146
Energy: 0.43079699841454505
Energy: 0.4416899977738338
Energy: 0.43079699841788316
Energy: 0.4416899977741676
Energy: 0.4557917033018726
Energy: 0.3759169665804503
Energy: 0.4557917032971994
Energy: 0.3759169665787813
Energy: 0.4557917033185629
Energy: 0.3759169665687672
Energy: 0.44058000946504056
Energy: 0.43333783178434604
Energy: 0.4405800094627038
Energy: 0.43333783178901936
Energy: 0.44058000946003345
Energy: 0.4333378317866827
Energy: 0.4301132428360429
Energy: 0.42290321607467013
Energy: 0.43011324284804475
Energy: 0.4229032160756715
Energy: 0.43011324284303765
Energy: 0.42290321607300113
Energy: 0.4408637052012447
Energy: 0.43316891101553295
Energy: 0.44086370520924084
Energy: 0.433168911022209
Energy: 0.4408637052059028
Energy: 0.43316891102287663
Energy: 0.4557856293460545
Energy: 0.37595296275507645
Energy: 0.4557856293420488
Energy: 0.375952962766092
Energy: 0.4557856293413812
Energy: 0.3759529627467313
Energy: 0.43064137784986095
Energy: 0.4416272377589416
Energy: 0.4306413778451877
Energy: 0.4416272377586078
Energy: 0.43064137784852563
Energy: 0.4416272377602769
Energy: 0.3945985358561276
Energy: 0.46401393194765495
Energy: 0.3945985358514544
Energy: 0.464013931942663
Energy: 0.3945985358541248
Energy: 0.4640139319406602
Energy: 0.43084170568744173
Energy: 0.41690943195380775
Energy: 0.43084170569044594
Energy: 0.4169094319411384
Energy: 0.43084170568510505
Energy: 0.41690943197116564
Energy: 0.4243943419432554
Energy: 0.403871187015462
Energy: 0.4243943419412526
Energy: 0.40387118702180425
Energy: 0.4243943419409188
Energy: 0.40387118702147046
Energy: 0.43111774290390464
Energy: 0.4126393202486843
Energy: 0.43111774290023275
Energy: 0.41263932023967165
Energy: 0.4311177429012343
Energy: 0.41263932023967165
Energy: 0.4712652463254133
Energy: 0.4240167540447072
Energy: 0.4712652463314218
Energy: 0.42401675404504097
Energy: 0.47126524632309186
Energy: 0.42401675404938044
Energy: 0.39118584831959974
Energy: 0.42750823826093126
Energy: 0.3911858483189321
Energy: 0.42750823825759326
Energy: 0.3911858483165955
Energy: 0.42750823826326795
Energy: 0.4202270578231113
Energy: 0.4386116804498655
Energy: 0.4202270578207747
Energy: 0.4386116804532036
Energy: 0.42022705781645037
Energy: 0.43861168045253596
Energy: 0.43560495223906365
Energy: 0.44598132770909726
Energy: 0.4356049522403989
Energy: 0.445981327712754
Energy: 0.43560495224240176
Energy: 0.44598132771176774
Energy: 0.43220059600259847
Energy: 0.42838834325801517
Energy: 0.4322005960005956
Energy: 0.4283883432283065
Energy: 0.43220059599959426
Energy: 0.42838834323297975
Energy: 0.41972386921627797
Energy: 0.42653877671975193
Energy: 0.4197238692122875
Energy: 0.42653877671274204
Energy: 0.4197238692119537
Energy: 0.4265387767254266
Energy: 0.44940462007565796
Energy: 0.41159178588550255
Energy: 0.4494046200783283
Energy: 0.41159178588717155
Energy: 0.44940462007699317
Energy: 0.4115917858845011
Energy: 0.41133373985499866
Energy: 0.4087015118687676
Energy: 0.41133373986165955
Energy: 0.4087015118707705
Energy: 0.41133373985631866
Energy: 0.4087015118744423
Energy: 0.38707152474353557
Energy: 0.4475942912742686
Energy: 0.3870715247465397
Energy: 0.44759429127493616
Energy: 0.38707152474453693
Energy: 0.4475942912746024
Energy: 0.43092798532752946
Energy: 0.43823599497831567
Energy: 0.43092798532686183
Energy: 0.43823599497931703
Energy: 0.43092798532819704
Energy: 0.43823599497831567
Energy: 0.4075592888982182
Energy: 0.41464578916553807
Energy: 0.4075592888935449
Energy: 0.4146457891692099
Energy: 0.4075592888998872
Energy: 0.4146457891665395
Energy: 0.4077127763818717
Energy: 0.4147960249384579
Energy: 0.40771277638385933
Energy: 0.4147960249367889
Energy: 0.40771277638619596
Energy: 0.4147960249381241
Energy: 0.4077375762384657
Energy: 0.4089859854276161
Energy: 0.40773757624814605
Energy: 0.40898598542628084
Energy: 0.4077375762391333
Energy: 0.40898598543095416
Energy: 0.4307809973764412
Energy: 0.4379768957837887
Energy: 0.4307809973884582
Energy: 0.43797689578111826
Energy: 0.4307809973948004
Energy: 0.43797689578312105
Energy: 0.38698735739605505
Energy: 0.4592625110793676
Energy: 0.3869873574000606
Energy: 0.4592625110793676
Energy: 0.3869873573987254
Energy: 0.4592625110797014
Energy: 0.4110318253740235
Energy: 0.40842252925753353
Energy: 0.41103182538702665
Energy: 0.408422529246518
Energy: 0.4110318253549966
Energy: 0.40842252925653205

minimum gb energy = 0.3759169665687672 eV
minimum distance =  2.60865356695596 Angstroms
sigma value = 57


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

Energy: 0.38936752788567575
Energy: 0.380012092308504
Energy: 0.3893675278807841
Energy: 0.38001209230741706
Energy: 0.38936752788621926
Energy: 0.3800120923068735
Energy: 0.42879797466367997
Energy: 0.37816585253992896
Energy: 0.4287979746631365
Energy: 0.37816585254155954
Energy: 0.42879797466422354
Energy: 0.3781658525448206
Energy: 0.43363693953555543
Energy: 0.404670617857571
Energy: 0.4336369395339249
Energy: 0.404670617859745
Energy: 0.433636939526884
Energy: 0.4046706178581145
Energy: 0.3834551329385807
Energy: 0.4201206954394856
Energy: 0.3834551329489075
Energy: 0.42012069544002906
Energy: 0.38345513293803724
Energy: 0.4201206954405727
Energy: 0.42957510030625884
Energy: 0.3493444604018615
Energy: 0.4295751003040848
Energy: 0.3493444603888172
Energy: 0.4295751003084328
Energy: 0.3493444604018615
Energy: 0.4222659015135926
Energy: 0.37465866667404063
Energy: 0.4222659015103315
Energy: 0.37465866667512765
Energy: 0.4222659015157667
Energy: 0.3746586666724101
Energy: 0.35510256136436347
Energy: 0.4059302169330864
Energy: 0.3551025613692551
Energy: 0.405930216930937
Energy: 0.3551025613583848
Energy: 0.40593021693254283
Energy: 0.47292001974864867
Energy: 0.3937520901511565
Energy: 0.4729200197519097
Energy: 0.3937520901479201
Energy: 0.472920019743757
Energy: 0.3937520901593092
Energy: 0.3806934883626234
Energy: 0.3759415225041733
Energy: 0.38069348836316685
Energy: 0.3759415225041733
Energy: 0.3806934883647974
Energy: 0.3759415225030862
Energy: 0.38740207054796433
Energy: 0.3889430823646264
Energy: 0.3874020705544865
Energy: 0.3889430823651699
Energy: 0.3874020705408986
Energy: 0.3889430823640829
Energy: 0.35542435436756226
Energy: 0.4011404400712193
Energy: 0.35542435435128156
Energy: 0.4011404400766544
Energy: 0.35542435437462805
Energy: 0.40114044006143607
Energy: 0.3980927866104617
Energy: 0.3591906506813541
Energy: 0.39809278660937475
Energy: 0.3591906506840716
Energy: 0.39809278661154873
Energy: 0.35919065067537537
Energy: 0.38247417585702576
Energy: 0.406346811910916
Energy: 0.38247417585104704
Energy: 0.406346811910916
Energy: 0.38247417585376464
Energy: 0.40634681191145944
Energy: 0.3625646970483273
Energy: 0.44661808942738357
Energy: 0.36256469704887084
Energy: 0.44661808942955766
Energy: 0.36256469704452265
Energy: 0.44661808943173165
Energy: 0.42735272967446836
Energy: 0.38240899246395826
Energy: 0.4273527296750118
Energy: 0.3824089924655889
Energy: 0.42735272967175075
Energy: 0.3824089924873294
Energy: 0.38431620518716036
Energy: 0.3831741909905425
Energy: 0.3843162052023788
Energy: 0.3831741910258709
Energy: 0.3843162051969436
Energy: 0.3831741909921731
Energy: 0.3897492189142819
Energy: 0.43196407728181374
Energy: 0.3897492189142819
Energy: 0.4319640772856183
Energy: 0.38974921891373837
Energy: 0.43196407728235725
Energy: 0.39204377982030886
Energy: 0.3843646745353525
Energy: 0.39204377982791805
Energy: 0.38436467452885503
Energy: 0.39204377982791805
Energy: 0.38436467453698303
Energy: 0.3694422652659157
Energy: 0.453061628313109
Energy: 0.36944226526428514
Energy: 0.4530616283066115
Energy: 0.36944226526265467
Energy: 0.45306162830984786
Energy: 0.3694972192276542
Energy: 0.4167735324097233
Energy: 0.369497219236894
Energy: 0.4167735324080928
Energy: 0.3694972192276542
Energy: 0.4167735324080928
Energy: 0.3900206611982084
Energy: 0.4005133660194016
Energy: 0.3900206611949474
Energy: 0.40051336600853127
Energy: 0.3900206612003825
Energy: 0.40051336601016185
Energy: 0.3637920237537896
Energy: 0.4559027106563772
Energy: 0.3637920237559636
Energy: 0.4559027106590948
Energy: 0.36379202374672387
Energy: 0.45590271065692073
Energy: 0.3948824237751038
Energy: 0.3985651677063569
Energy: 0.3948824237826883
Energy: 0.39856516771124845
Energy: 0.3948824237783649
Energy: 0.3985651677085309
Energy: 0.39941492846928894
Energy: 0.4552736668360031
Energy: 0.3994149284736371
Energy: 0.45527366684415577
Energy: 0.3994149284665714
Energy: 0.45527366684089465
Energy: 0.40096911654902095
Energy: 0.48649403729274987
Energy: 0.40096911656586987
Energy: 0.48649403729111934
Energy: 0.40096911654521644
Energy: 0.48649403729492396
Energy: 0.38194437411767557
Energy: 0.3979660153891895
Energy: 0.3819443741231108
Energy: 0.3979660153891895
Energy: 0.38194437411930615
Energy: 0.39796601538864607
Energy: 0.3615693294911834
Energy: 0.45302069963131547
Energy: 0.3615693294933574
Energy: 0.4530206996275109
Energy: 0.36156932949985493
Energy: 0.45302069962914143

minimum gb energy = 0.3493444603888172 eV
minimum distance =  2.55026533520979 Angstroms
sigma value = 43


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

Energy: 0.3642479502583765
Energy: 0.340639914939322
Energy: 0.3642479502401692
Energy: 0.3406399149927558
Energy: 0.3642479502441202
Energy: 0.34063991499869595
Energy: 0.37458710722859495
Energy: 0.34636176550860337
Energy: 0.3745871072226548
Energy: 0.34636176550701936
Energy: 0.37458710722503086
Energy: 0.34636176550701936
Energy: 0.36834797076492043
Energy: 0.3485605284161901
Energy: 0.3683479707684844
Energy: 0.348560528409458
Energy: 0.3683479707653164
Energy: 0.348560528409854
Energy: 0.3461300710112226
Energy: 0.3588773797397877
Energy: 0.3461300710199348
Energy: 0.35887737973701567
Energy: 0.34613007100884663
Energy: 0.35887737973662875
Energy: 0.37363910489156255
Energy: 0.3294238662677252
Energy: 0.3736391048919585
Energy: 0.32942386627049725
Energy: 0.3736391048887905
Energy: 0.32942386627168524
Energy: 0.3528647443624576
Energy: 0.3351092569549185
Energy: 0.35286474435929854
Energy: 0.3351092569565025
Energy: 0.35286474436126963
Energy: 0.3351092569565025
Energy: 0.4150108597191102
Energy: 0.35013784600853365
Energy: 0.41501085972148627
Energy: 0.3501378459927024
Energy: 0.4150108597179222
Energy: 0.3501378459911184
Energy: 0.371476083211732
Energy: 0.322869211643006
Energy: 0.37147608322202813
Energy: 0.3228692116465701
Energy: 0.3714760832180681
Energy: 0.32286921164340204
Energy: 0.3388481187333084
Energy: 0.3302267265328772
Energy: 0.3388481187428036
Energy: 0.33022672653366925
Energy: 0.33884811873528836
Energy: 0.3302267265380254
Energy: 0.3763942172849904
Energy: 0.3328625794955069
Energy: 0.3763942172786543
Energy: 0.3328625794959029
Energy: 0.37639421729172257
Energy: 0.33286257950381404
Energy: 0.4059100880352794
Energy: 0.4011267033527387
Energy: 0.4059100880372504
Energy: 0.40112670334917466
Energy: 0.4059100880313193
Energy: 0.4011267033566899
Energy: 0.32060438400944385
Energy: 0.3312118981406641
Energy: 0.3206043840098398
Energy: 0.3312118981374961
Energy: 0.3206043840042957
Energy: 0.3312118981374961
Energy: 0.37588455364677986
Energy: 0.3192304388558461
Energy: 0.37588455362778056
Energy: 0.3192304388550541
Energy: 0.37588455364559176
Energy: 0.3192304388566381
Energy: 0.40545490807717854
Energy: 0.4015642809942817
Energy: 0.40545490808074264
Energy: 0.4015642809946688
Energy: 0.4054549080783666
Energy: 0.4015642809942817
Energy: 0.3323876002937961
Energy: 0.3321767229302579
Energy: 0.3323876002918161
Energy: 0.33217672293461403
Energy: 0.33238760029458814
Energy: 0.3321767229302579
Energy: 0.35159952581298926
Energy: 0.3684135572044597
Energy: 0.3515995258046731
Energy: 0.3684135572044597
Energy: 0.351599525802693
Energy: 0.36841355720327174
Energy: 0.4124300997204004
Energy: 0.35825507419271013
Energy: 0.41243009971960837
Energy: 0.3582550741978582
Energy: 0.41243009972000433
Energy: 0.3582550741990462
Energy: 0.3438080815691291
Energy: 0.32625108341667186
Energy: 0.34380808156873305
Energy: 0.32625108341152376
Energy: 0.3438080815715051
Energy: 0.3262510834091477
Energy: 0.3359987685688423
Energy: 0.3679318060036044
Energy: 0.33599876856765426
Energy: 0.3679318060020204
Energy: 0.33599876856765426
Energy: 0.36793180600400044
Energy: 0.3503383120485975
Energy: 0.32502042787694685
Energy: 0.3503383120422614
Energy: 0.32502042787853086
Energy: 0.35033831204344945
Energy: 0.3250204278773428
Energy: 0.3690943380574488
Energy: 0.3380475483530442
Energy: 0.3690943380610128
Energy: 0.33804754834711304
Energy: 0.36909433805507275
Energy: 0.33804754835700423
Energy: 0.34731599299499755
Energy: 0.37087869419548414
Energy: 0.3473159929823343
Energy: 0.37087869419310804
Energy: 0.3473159929779782
Energy: 0.37087869419745517
Energy: 0.3665986895158708
Energy: 0.3693326953035323
Energy: 0.3665986895119107
Energy: 0.3693326953035323
Energy: 0.3665986895166628
Energy: 0.36933269530391927
Energy: 0.3505991574560677
Energy: 0.33775804716115093
Energy: 0.3505991574556717
Energy: 0.3377580471591709
Energy: 0.35059915746081977
Energy: 0.33775804715956687
Energy: 0.31862430524820157
Energy: 0.3621739846428764
Energy: 0.31862430529055624
Energy: 0.3621739846452524
Energy: 0.31862430527788405
Energy: 0.36217398464485656
Energy: 0.32638185886136967
Energy: 0.3577011534542465
Energy: 0.32638185885186544
Energy: 0.3577011534526625
Energy: 0.3263818588526575
Energy: 0.3577011534542465
Energy: 0.3503045732871269
Energy: 0.3259849089820574
Energy: 0.35030457328395886
Energy: 0.3259849089895725
Energy: 0.35729596079921494
Energy: 0.3259849089784933
Energy: 0.3007377408099262
Energy: 0.36002305611861185
Energy: 0.30073774080715415
Energy: 0.36002305612930396
Energy: 0.30073774080042204
Energy: 0.36002305611781976
Energy: 0.32644993919609366
Energy: 0.3375436271403872
Energy: 0.32644993919609366
Energy: 0.3375436271407833
Energy: 0.32644993919609366
Energy: 0.3375436271423673
Energy: 0.3298157773529869
Energy: 0.32254189520021065
Energy: 0.3298157773320075
Energy: 0.3225418952010027
Energy: 0.32981577734427475
Energy: 0.3225418952017947
Energy: 0.29292284005511743
Energy: 0.3613106723660774
Energy: 0.2929228400586725
Energy: 0.36131067238745274
Energy: 0.3262903621670309
Energy: 0.36131067237280945
Energy: 0.326655085319008
Energy: 0.32522950018677277
Energy: 0.32665508531545295
Energy: 0.32522950018796076
Energy: 0.32665508531781995
Energy: 0.3252295001859808
Energy: 0.3184569716836589
Energy: 0.36259266817263813
Energy: 0.318456971688807
Energy: 0.36259266817382607
Energy: 0.318456971688411
Energy: 0.36259266817224206
Energy: 0.4057794280730435
Energy: 0.3640077713632905
Energy: 0.4057794280762116
Energy: 0.36400777136249857
Energy: 0.4057794280639444
Energy: 0.3640077713628946
Energy: 0.327217056726945
Energy: 0.31511979544121915
Energy: 0.3272170567301131
Energy: 0.3151197954392391
Energy: 0.32721705673090506
Energy: 0.3151197954380601
Energy: 0.29247958260277995
Energy: 0.36195729170322244
Energy: 0.29247958260277995
Energy: 0.3619572917131135
Energy: 0.292479582603176
Energy: 0.3619572917067865

minimum gb energy = 0.29247958260277995 eV
minimum distance =  2.54964426841788 Angstroms
sigma value = 81


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

Energy: 0.0022831696490360318
Energy: 0.021538140104297457
Energy: 0.0022831696483085204
Energy: 0.02153814010211492
Energy: 0.0022831696485978714
Energy: 0.02153814010690988
Energy: 0.2704858530237103
Energy: 0.05288790961540035
Energy: 0.27048585302458666
Energy: 0.05288790961641722
Energy: 0.2704858530237103
Energy: 0.052887909614085876
Energy: 0.27048756044002364
Energy: 0.052880508956664435
Energy: 0.2704875604420574
Energy: 0.05288050895434136
Energy: 0.2704875604429337
Energy: 0.05288050895434136
Energy: 0.0022831696488872224
Energy: 0.021538140103421137
Energy: 0.0022831696491848407
Energy: 0.021538140107786204
Energy: 0.002283169649325382
Energy: 0.02153814010662053
Energy: 0.27048585302589284
Energy: 0.05288790961728527
Energy: 0.27048585302414846
Energy: 0.052887909612490305
Energy: 0.27048585302211475
Energy: 0.05288790961830212
Energy: 0.2704875604410405
Energy: 0.05288050894895943
Energy: 0.27048756044089994
Energy: 0.05288050895215884
Energy: 0.2704875604436612
Energy: 0.052880508949976306
Energy: 0.002283169649912351
Energy: 0.021538140101527953
Energy: 0.002283169649763542
Energy: 0.02153814010880306
Energy: 0.0022831696494741913
Energy: 0.02153814010647172
Energy: 0.2704858530226934
Energy: 0.05288790961467285
Energy: 0.2704858530257523
Energy: 0.052887909617723425
Energy: 0.27048585302342093
Energy: 0.052887909615979056
Energy: 0.27048756043798994
Energy: 0.05288050895099316
Energy: 0.2704875604420574
Energy: 0.05288050895041446
Energy: 0.2704875604407512
Energy: 0.05288050895317569
Energy: 0.0022831696490360318
Energy: 0.02153814010472735
Energy: 0.0022831696488872224
Energy: 0.021538140108654256
Energy: 0.002283169649325382
Energy: 0.02153814011127495

minimum gb energy = 0.0022831696483085204 eV
minimum distance =  2.79398656505267 Angstroms
sigma value = 3


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

Energy: 0.2824442874607112
Energy: 0.24204402744392195
Energy: 0.2824442874633238
Energy: 0.2420440274447928
Energy: 0.2824442874576633
Energy: 0.24204402744609907
Energy: 0.2389865946948173
Energy: 0.2848557383914405
Energy: 0.2389865946813292
Energy: 0.2848557383910051
Energy: 0.2389865946765396
Energy: 0.28485573839274675
Energy: 0.3234579681570103
Energy: 0.27701866446858
Energy: 0.3234579681530915
Energy: 0.2770186644733696
Energy: 0.29124307337302285
Energy: 0.27701866447162793
Energy: 0.27381715431169795
Energy: 0.2670629169251715
Energy: 0.2738171543112626
Energy: 0.26706291692386525
Energy: 0.27381715431561676
Energy: 0.2670629169251715
Energy: 0.2511320178215315
Energy: 0.28291526240414205
Energy: 0.2511320178180481
Energy: 0.2829152624045775
Energy: 0.2511320178180481
Energy: 0.28291526240414205
Energy: 0.29156469816695446
Energy: 0.2842819566816702
Energy: 0.29156469816129404
Energy: 0.2842819566847182
Energy: 0.2915646981695571
Energy: 0.28428195668688533
Energy: 0.28189507450829426
Energy: 0.27896483851126613
Energy: 0.28189507450829426
Energy: 0.27896483851213705
Energy: 0.28189507450698803
Energy: 0.2789648385095245
Energy: 0.24827460987875208
Energy: 0.2687606082903811
Energy: 0.2482746098800583
Energy: 0.26876060828951026
Energy: 0.24827460987788122
Energy: 0.26876060829168735
Energy: 0.29765265403886115
Energy: 0.2878428423036903
Energy: 0.29765265404189917
Energy: 0.28784284230543195
Energy: 0.2976526540353778
Energy: 0.28784284230456114
Energy: 0.2861852824640968
Energy: 0.2719412538175572
Energy: 0.2861852824623551
Energy: 0.2719412538171316
Energy: 0.28618528246540303
Energy: 0.2719412538197342
Energy: 0.26537982464431387
Energy: 0.27597022666348936
Energy: 0.2653798246438785
Energy: 0.2759702266661019
Energy: 0.2653798246417013
Energy: 0.2759702266647956
Energy: 0.3041813841239094
Energy: 0.3061765816692845
Energy: 0.30418138412739265
Energy: 0.3061765816679783
Energy: 0.30418138412478013
Energy: 0.30617658167102624
Energy: 0.27427464383045536
Energy: 0.25759349776228674
Energy: 0.27427464382740746
Energy: 0.2575934977601096
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Energy: 0.25759349776577006
Energy: 0.27619169527793075
Energy: 0.2551485398295211
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Energy: 0.25514853982777946
Energy: 0.2761916952831459
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Energy: 0.2860875512574365
Energy: 0.29776527901698185
Energy: 0.28608755126048446
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Energy: 0.28608755125787194
Energy: 0.29776527901611105
Energy: 0.281573193955655
Energy: 0.25227669146570164
Energy: 0.28157319395609043
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Energy: 0.30309102306428665
Energy: 0.2135025171598792
Energy: 0.30309102306776997
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Energy: 0.2805021171944921
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Energy: 0.28229615476511255
Energy: 0.2805021171962338
Energy: 0.2819546083069404
Energy: 0.24455612237918795
Energy: 0.28195460830389246
Energy: 0.244556122392676
Energy: 0.28195460830215074
Energy: 0.2445561223809296
Energy: 0.27907384431894294
Energy: 0.29202813455989735
Energy: 0.27907384431981386
Energy: 0.29202813455815557
Energy: 0.2790738443150242
Energy: 0.29202813456033266
Energy: 0.28472886273086984
Energy: 0.196611473390181
Energy: 0.2847288627291282
Energy: 0.19661147338931015
Energy: 0.284728862729999
Energy: 0.19661147339235807
Energy: 0.26062039332238407
Energy: 0.2758646355483882
Energy: 0.2606203933206424
Energy: 0.2758646355475174
Energy: 0.2606203933206424
Energy: 0.2758646355492591
Energy: 0.28500921363547244
Energy: 0.2612368308642293
Energy: 0.2850092136341662
Energy: 0.26123683086466465
Energy: 0.2850092136337308
Energy: 0.2612368308668418
Energy: 0.28404796642283253
Energy: 0.19604468036266623
Energy: 0.2840479664197845
Energy: 0.19604468035961828
Energy: 0.28404796641718194
Energy: 0.1960446803482974
Energy: 0.27498219120997375
Energy: 0.2885646158938201
Energy: 0.2749821912104092
Energy: 0.28856461588642784
Energy: 0.27498219121084455
Energy: 0.288564615888595
Energy: 0.28796269674713254
Energy: 0.27464958544676693
Energy: 0.28796269674800345
Energy: 0.2746495854567816
Energy: 0.28796269674190755
Energy: 0.27464958546461915
Energy: 0.3251118346032087
Energy: 0.2435046672662884
Energy: 0.32511183460103166
Energy: 0.24350466726585293
Energy: 0.3251118346001608
Energy: 0.24350466726585293
Energy: 0.28702173033850925
Energy: 0.30126993275030034
Energy: 0.28702173034199263
Energy: 0.30126993275247743
Energy: 0.2870217303437343
Energy: 0.3012699327476977
Energy: 0.28298617556729966
Energy: 0.28192484640838267
Energy: 0.28298617557078304
Energy: 0.2819248464035931
Energy: 0.2829861755694768
Energy: 0.28192484641055976
Energy: 0.32622988369808603
Energy: 0.2604160355893661
Energy: 0.3262298836941672
Energy: 0.2604160355876244
Energy: 0.3262298836950381
Energy: 0.26041603558457643
Energy: 0.295465376391492
Energy: 0.2979780155346788
Energy: 0.2954653763941046
Energy: 0.29797801553554965
Energy: 0.29546537639584625
Energy: 0.29797801553989395
Energy: 0.2706668053361109
Energy: 0.2844935156311764
Energy: 0.2706668053352401
Energy: 0.2844935156324827
Energy: 0.2706668053334984
Energy: 0.28449351563291814
Energy: 0.29356917004796973
Energy: 0.2975904576981484
Energy: 0.2935691700444864
Energy: 0.29759045769858383
Energy: 0.2935691700436155
Energy: 0.2975904576990193

minimum gb energy = 0.1960446803482974 eV
minimum distance =  2.62487103013286 Angstroms
sigma value = 67


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

Energy: 0.3816458139615004
Energy: 0.36879749300445863
Energy: 0.3816458139559166
Energy: 0.36879749300445863
Energy: 0.38164581396087993
Energy: 0.36879749300135645
Energy: 0.36072045920895324
Energy: 0.37273883624620874
Energy: 0.3607204592108145
Energy: 0.37273883624620874
Energy: 0.36072045921267576
Energy: 0.37273883625117216
Energy: 0.384024001458953
Energy: 0.37327471385820316
Energy: 0.3840240014577122
Energy: 0.37327471385820316
Energy: 0.38402400146019394
Energy: 0.37327471385696237
Energy: 0.37536982786844336
Energy: 0.38217178598552354
Energy: 0.3753698278672026
Energy: 0.38217178598552354
Energy: 0.3753698278659616
Energy: 0.3821717859867503
Energy: 0.3394340642860605
Energy: 0.35611151602584723
Energy: 0.33943406428295836
Energy: 0.3561115160264677
Energy: 0.33943406429349143
Energy: 0.35611151602770846
Energy: 0.38454498807232557
Energy: 0.3714859661036201
Energy: 0.38454498807418674
Energy: 0.37148596610796303
Energy: 0.38454498807480725
Energy: 0.37148596609989754
Energy: 0.3708012751911346
Energy: 0.3664112380947181
Energy: 0.37080127520292266
Energy: 0.3664112380928568
Energy: 0.3708012752016819
Energy: 0.36641123809409765
Energy: 0.36137332056046134
Energy: 0.3502681726703564
Energy: 0.3613733205567388
Energy: 0.350268172669736
Energy: 0.3613733205548916
Energy: 0.3502681726691156
Energy: 0.3955891215717742
Energy: 0.39790296386991214
Energy: 0.395589121569913
Energy: 0.3979029638723938
Energy: 0.3955891215717742
Energy: 0.3979029638723938
Energy: 0.36957475929991973
Energy: 0.3460040902436389
Energy: 0.36957475929991973
Energy: 0.34600409024239803
Energy: 0.3695747593030218
Energy: 0.34600409023991635
Energy: 0.3875826537985298
Energy: 0.37562092010851406
Energy: 0.3875826537929601
Energy: 0.37562092010727316
Energy: 0.3875826537966685
Energy: 0.3756209201103753
Energy: 0.3675507277331973
Energy: 0.37697342941941386
Energy: 0.3675507277331973
Energy: 0.376973429422516
Energy: 0.3675507277294748
Energy: 0.3769734294206547
Energy: 0.36930083842990485
Energy: 0.3626864706464158
Energy: 0.369300838428664
Energy: 0.3626864706464158
Energy: 0.36930083843299294
Energy: 0.3626864706464158
Energy: 0.3742725086635587
Energy: 0.37535742009907
Energy: 0.3742725086604565
Energy: 0.3753574200978292
Energy: 0.3742725086635587
Energy: 0.37535742009596795
Energy: 0.360109838310089
Energy: 0.3609359780540897
Energy: 0.36010983831629323
Energy: 0.3609359780584186
Energy: 0.3601098383169137
Energy: 0.3609359780602798
Energy: 0.3750095176063859
Energy: 0.3665254625766382
Energy: 0.3750095176082472
Energy: 0.3665254625772586
Energy: 0.3750095176039042
Energy: 0.3665254625729157
Energy: 0.38259661759885855
Energy: 0.3743660262786869
Energy: 0.38259661760320157
Energy: 0.37436602627744603
Energy: 0.38259661759637686
Energy: 0.37436602627620524
Energy: 0.3669937040075449
Energy: 0.35628862265701516
Energy: 0.36699370397282943
Energy: 0.35628862265701516
Energy: 0.36699370398088077
Energy: 0.3562886226551539
Energy: 0.37218418872462433
Energy: 0.3836234205761864
Energy: 0.3721841887351574
Energy: 0.38362342057742727
Energy: 0.37218418872710596
Energy: 0.3836234205792885
Energy: 0.3553156826338966
Energy: 0.3736607901775186
Energy: 0.3553156826301741
Energy: 0.3736607901837229
Energy: 0.3553156826314149
Energy: 0.3736607901806207
Energy: 0.3865279795693494
Energy: 0.3636403092542978
Energy: 0.38652797956810864
Energy: 0.3636403092580063
Energy: 0.3865279795619184
Energy: 0.3636403092573858
Energy: 0.3756970923170399
Energy: 0.3983788291334726
Energy: 0.3756970923151785
Energy: 0.39837882912975003
Energy: 0.3756970923108356
Energy: 0.39837882913533385
Energy: 0.3656144103211789
Energy: 0.3736121411269707
Energy: 0.36561441032366065
Energy: 0.3736121411232482
Energy: 0.36561441031436837
Energy: 0.373612141124489

minimum gb energy = 0.33943406428295836 eV
minimum distance =  2.62819719461802 Angstroms
sigma value = 33


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

Energy: 0.4393590213326777
Energy: 0.4228775402084221
Energy: 0.4393590213071036
Energy: 0.42287754020999646
Energy: 0.43935902134172117
Energy: 0.42287754020960283
Energy: 0.4195568554316868
Energy: 0.42852324125432967
Energy: 0.41955685543129323
Energy: 0.4285232412531578
Energy: 0.41955685543089966
Energy: 0.4285232412527643
Energy: 0.43712307688943264
Energy: 0.4286473374583793
Energy: 0.4371230768949338
Energy: 0.4286473374607408
Energy: 0.43712307688982616
Energy: 0.42864733745995365
Energy: 0.43272568291612973
Energy: 0.44409568768641156
Energy: 0.4327256829165233
Energy: 0.4440956876844436
Energy: 0.43272568291338365
Energy: 0.4440956876856244
Energy: 0.4284139144334683
Energy: 0.4218510598250389
Energy: 0.4284139144318939
Energy: 0.42185105982267734
Energy: 0.4284139144271709
Energy: 0.42185105982149657
Energy: 0.4601726840778338
Energy: 0.43652680724567594
Energy: 0.4601726840813761
Energy: 0.4633084766284313
Energy: 0.4601726840778338
Energy: 0.45118397160137286
Energy: 0.4313487948665608
Energy: 0.42418955660019597
Energy: 0.43134879486616723
Energy: 0.42418955660019597
Energy: 0.43134879486892236
Energy: 0.4241895566029511
Energy: 0.4475204363844814
Energy: 0.4395966889779421
Energy: 0.44752043638133276
Energy: 0.4395966889771549
Energy: 0.44752043638251343
Energy: 0.43959668897597415
Energy: 0.428858427440816
Energy: 0.44763761133317964
Energy: 0.4288584274423903
Energy: 0.4476376113382873
Energy: 0.4288584274380609
Energy: 0.44763761133672186
Energy: 0.43759098249581924
Energy: 0.432534707263842
Energy: 0.43759098249660633
Energy: 0.44404952652584845
Energy: 0.4375909824997461
Energy: 0.42585078117005404
Energy: 0.4490663003584733
Energy: 0.42204547016094274
Energy: 0.44906630036477063
Energy: 0.42204547016015553
Energy: 0.4490663003635899
Energy: 0.42204547016015553
Energy: 0.4191238739114369
Energy: 0.4259768402674742
Energy: 0.4191238739153638
Energy: 0.4259768402666871
Energy: 0.41912387391378947
Energy: 0.4259768402674742
Energy: 0.43830195437890596
Energy: 0.4231840892802142
Energy: 0.4383019543800867
Energy: 0.4231840892790335
Energy: 0.43830195437969305
Energy: 0.4231840892798207
Energy: 0.4231341822455854
Energy: 0.4293013058719606
Energy: 0.42313418224441357
Energy: 0.42930130587156695
Energy: 0.4231341822452007
Energy: 0.4293013058711734
Energy: 0.4179116221694628
Energy: 0.42605787751417884
Energy: 0.417911622163568
Energy: 0.4260578775145724
Energy: 0.41791162217103717
Energy: 0.42605787751339164
Energy: 0.4320832966120598
Energy: 0.44332202390815917
Energy: 0.4320832966116663
Energy: 0.44332202391170145
Energy: 0.4320832966124534
Energy: 0.44332202391170145
Energy: 0.4259177748282164
Energy: 0.428932002334273
Energy: 0.4259177748258549
Energy: 0.42893200233466655
Energy: 0.42591777482506776
Energy: 0.4289320023358473
Energy: 0.44566338854888166
Energy: 0.460121619617651
Energy: 0.4456633885516368
Energy: 0.46012161962039716
Energy: 0.44566338855124316
Energy: 0.46012161962315223
Energy: 0.41051091310043564
Energy: 0.4457865706568103
Energy: 0.4105109131153829
Energy: 0.44578657065798216
Energy: 0.4105109131016164
Energy: 0.4457865706583757
Energy: 0.4354956954497908
Energy: 0.4292957621447463
Energy: 0.43549569545333305
Energy: 0.4292957621451399
Energy: 0.4354956954525459
Energy: 0.4292957621455335
Energy: 0.43061228182612354
Energy: 0.4447459290294403
Energy: 0.43061228182021977
Energy: 0.4447459290314083
Energy: 0.4306122818198262
Energy: 0.4447459290333762
Energy: 0.4184005291044723
Energy: 0.42204920841968313
Energy: 0.418400529094239
Energy: 0.42204920841535376
Energy: 0.41840052909974923
Energy: 0.4220492084177153
Energy: 0.4461104354960644
Energy: 0.4222805365862505
Energy: 0.44611043549567075
Energy: 0.4222805365709096
Energy: 0.4461104354972451
Energy: 0.42228053658113385
Energy: 0.4354709937171264
Energy: 0.42265610549700516
Energy: 0.43547099371633924
Energy: 0.4226561054911014
Energy: 0.43547099371358416
Energy: 0.4226561054907078
Energy: 0.4169552996201023
Energy: 0.42193335977610735
Energy: 0.4169552996220702
Energy: 0.4219333597737458
Energy: 0.4169552996169536
Energy: 0.4219333597725651
Energy: 0.44604924815594454
Energy: 0.4331205127268985
Energy: 0.446049248153583
Energy: 0.4331205127268985
Energy: 0.4460492481579035
Energy: 0.4331205127272921
Energy: 0.41721255847399685
Energy: 0.4227492898495031
Energy: 0.41721255847202887
Energy: 0.422749289851471
Energy: 0.41721255847399685
Energy: 0.42274928985068383
Energy: 0.43005927315302134
Energy: 0.46635643498511514
Energy: 0.43005927315774434
Energy: 0.4793392857576809
Energy: 0.43005927316640324
Energy: 0.46112012394818
Energy: 0.4323548840857034
Energy: 0.4213411467656676
Energy: 0.4323548841022339
Energy: 0.42134114676330603
Energy: 0.4323548840967237
Energy: 0.4213411467660611
Energy: 0.41049001758561154
Energy: 0.4212244829275651
Energy: 0.4104900175836436
Energy: 0.4212244829279587
Energy: 0.41049001758403714
Energy: 0.4212244829275651
Energy: 0.46160011820754476
Energy: 0.4615305058799328
Energy: 0.46160011820164104
Energy: 0.46153050588267885
Energy: 0.4616001182047897
Energy: 0.4615305058799328
Energy: 0.4292882822319272
Energy: 0.42906223837274965
Energy: 0.4292882822279914
Energy: 0.42906223837353674
Energy: 0.4292882822323209
Energy: 0.4290622383743239
Energy: 0.43181373576524607
Energy: 0.4401248144202205
Energy: 0.43181373576878834
Energy: 0.4401248144217949
Energy: 0.4318137357723306
Energy: 0.44012481442258206
Energy: 0.4275491724236016
Energy: 0.4265306736822847
Energy: 0.42754917242517587
Energy: 0.42653067368346553
Energy: 0.4275491724200592
Energy: 0.4265306736814975
Energy: 0.4231772705580267
Energy: 0.428861445484652
Energy: 0.42317727055999454
Energy: 0.428861445484652
Energy: 0.4231772705603881
Energy: 0.4288614454862263
Energy: 0.42679508666158694
Energy: 0.423032605792684
Energy: 0.42679508665922544
Energy: 0.42303260579622615
Energy: 0.42679508666079974
Energy: 0.4230326057930775
Energy: 0.4199251836787817
Energy: 0.4239346179314379
Energy: 0.4199251836787817
Energy: 0.4239346179334058
Energy: 0.41992518367681375
Energy: 0.4239346179337994

minimum gb energy = 0.4104900175836436 eV
minimum distance =  2.59298098323652 Angstroms
sigma value = 41


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

Energy: 0.5310571044154623
Energy: 0.5558458831505403
Energy: 0.5310571044154623
Energy: 0.555845883151615
Energy: 0.5310571044154623
Energy: 0.555845883151615
Energy: 0.5155110686011821
Energy: 0.5164224001538146
Energy: 0.515511068599033
Energy: 0.5164224001538146
Energy: 0.5155110685979583
Energy: 0.5164224001538146
Energy: 0.5705962040075239
Energy: 0.5139712099002152
Energy: 0.5970869456446893
Energy: 0.5139712098992504
Energy: 0.5584461487987689
Energy: 0.5139712098992504
Energy: 0.5274205614452326
Energy: 0.5448248866426391
Energy: 0.5274205614473818
Energy: 0.5448248866437136
Energy: 0.5274205614441578
Energy: 0.5448248866458628
Energy: 0.5204852648707123
Energy: 0.5215757813460151
Energy: 0.5204852648685632
Energy: 0.5215757813460151
Energy: 0.5204852648696378
Energy: 0.5215757813470896
Energy: 0.5715346786993992
Energy: 0.5568463456050574
Energy: 0.5715346786983246
Energy: 0.5568463456050574
Energy: 0.5715346787015484
Energy: 0.556846345606132
Energy: 0.5270539004831106
Energy: 0.5043214371420665
Energy: 0.5270539004809615
Energy: 0.5043214371388426
Energy: 0.5270539004809615
Energy: 0.504321437143141
Energy: 0.5374112965817073
Energy: 0.5165338567468714
Energy: 0.5374112965860056
Energy: 0.5165338567468714
Energy: 0.5374112965827819
Energy: 0.516533856747946
Energy: 0.5169696725956968
Energy: 0.516160742621216
Energy: 0.5169696725935478
Energy: 0.5161607426244399
Energy: 0.5169696725946222
Energy: 0.5161607426201414
Energy: 0.527324777675019
Energy: 0.5241953783036322
Energy: 0.5273247776760936
Energy: 0.5241953783057814
Energy: 0.5273247776760936
Energy: 0.524195378301483
Energy: 0.5127099240528976
Energy: 0.5144981294096174
Energy: 0.5127099240528976
Energy: 0.5144981294074803
Energy: 0.512709924049576
Energy: 0.5144981294085549
Energy: 0.5314375765097381
Energy: 0.51617119409648
Energy: 0.5314375765097381
Energy: 0.5161711940986292
Energy: 0.5314375765065144
Energy: 0.5161711940975546
Energy: 0.5334293402903897
Energy: 0.5441818312639601
Energy: 0.5334293402914643
Energy: 0.5441818312650348
Energy: 0.5334293402882405
Energy: 0.5441818312628856
Energy: 0.5223727267441629
Energy: 0.5165015459384531
Energy: 0.5223727267398645
Energy: 0.5165015459352292
Energy: 0.5223727267430882
Energy: 0.5165015459352292

minimum gb energy = 0.5043214371388426 eV
minimum distance =  2.58896748461965 Angstroms
sigma value = 11


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

Energy: 0.6229574278301814
Energy: 0.6117029124438432
Energy: 0.6229574278320696
Energy: 0.6117029124452595
Energy: 0.622957427827821
Energy: 0.6117029124452595
Energy: 0.5953191597515222
Energy: 0.5999764233561378
Energy: 0.5953191597529384
Energy: 0.5999764233561378
Energy: 0.5953191597543545
Energy: 0.5999764233561378
Energy: 0.6376190568359554
Energy: 0.598870889493113
Energy: 0.637619056833123
Energy: 0.598870889493113
Energy: 0.6532519963919965
Energy: 0.5988708894916968
Energy: 0.6088536788075192
Energy: 0.5913079735317375
Energy: 0.608853678806575
Energy: 0.5913079735322095
Energy: 0.6088536788070472
Energy: 0.5913079735322095
Energy: 0.6261491096022002
Energy: 0.5913847685423175
Energy: 0.6261491096003119
Energy: 0.5913847685427895
Energy: 0.6261491096012559
Energy: 0.591384768545622
Energy: 0.5915465018599557
Energy: 0.6059125775737954
Energy: 0.5915465018594837
Energy: 0.6059125775728513
Energy: 0.5915465018604278
Energy: 0.6059125775719071
Energy: 0.6093850078899062
Energy: 0.6053187621838809
Energy: 0.6093850078903782
Energy: 0.6053187621848144
Energy: 0.6093850078903782
Energy: 0.6053187621834089
Energy: 0.6052680809406661
Energy: 0.5944296534737737
Energy: 0.6052680809387779
Energy: 0.5944296534643322
Energy: 0.605268080939722
Energy: 0.5944296534652764
Energy: 0.6136365700547264
Energy: 0.6055523209301141
Energy: 0.6136365700533102
Energy: 0.6055523209301141
Energy: 0.613636570052366
Energy: 0.6055523209315303
Energy: 0.5998783270294203
Energy: 0.6216916690450381
Energy: 0.5998783270275321
Energy: 0.6216916690445768
Energy: 0.5998783270280041
Energy: 0.6216916690441048
Energy: 0.6028988525649486
Energy: 0.5976163225168015
Energy: 0.6028988525654208
Energy: 0.5976163225163293
Energy: 0.6028988525621162
Energy: 0.5976163225191619
Energy: 0.6174254267786403
Energy: 0.6046473694230917
Energy: 0.6174254267781683
Energy: 0.6046473694245078
Energy: 0.617425426776752
Energy: 0.6046473694230917
Energy: 0.6029362453514159
Energy: 0.6006683878329498
Energy: 0.6029362453504716
Energy: 0.6006683878338941
Energy: 0.6029362453509437
Energy: 0.6006683878320058
Energy: 0.6033508201743375
Energy: 0.6035198708361081
Energy: 0.6033508201682007
Energy: 0.6035198708375245
Energy: 0.6033508201573431
Energy: 0.6035198708389405
Energy: 0.5883362457025187
Energy: 0.6064113445749212
Energy: 0.6031688869715116
Energy: 0.6064113445758652
Energy: 0.6010830969737939
Energy: 0.6064113445753933
Energy: 0.6094979937611429
Energy: 0.6024714789275054
Energy: 0.6094979937630312
Energy: 0.6024714789251451
Energy: 0.6094979937625591
Energy: 0.6024714789275054
Energy: 0.588785642749379
Energy: 0.6001975399666765
Energy: 0.5887856427512672
Energy: 0.6001975399662044
Energy: 0.5887856427489069
Energy: 0.6001975399662044
Energy: 0.6059184398049136
Energy: 0.6210801395908162
Energy: 0.6059184398049136
Energy: 0.6210801395908162
Energy: 0.6059184398025532
Energy: 0.6210801395917603
Energy: 0.5958269244273848
Energy: 0.5861883231981928
Energy: 0.5958269244245524
Energy: 0.5861883232014865
Energy: 0.5958269244278569
Energy: 0.586188323198665
Energy: 0.6082461471289113
Energy: 0.5972246393868877
Energy: 0.6082461471312717
Energy: 0.5972246393835832
Energy: 0.6082461471260789
Energy: 0.5972246393849995
Energy: 0.5986841861114243
Energy: 0.6012758397202315
Energy: 0.5986841861133124
Energy: 0.6012758397197594
Energy: 0.5986841861118963
Energy: 0.6012758397216477
Energy: 0.6086224718400411
Energy: 0.6225889966624838
Energy: 0.6086224718400411
Energy: 0.6225889966624838
Energy: 0.608622471838625
Energy: 0.6225889966620117
Energy: 0.6106958429119971
Energy: 0.5991748176219103
Energy: 0.6106958429129413
Energy: 0.5991748176228544
Energy: 0.610695842911525
Energy: 0.5991748176233265
Energy: 0.612818203951354
Energy: 0.600136748984723
Energy: 0.6128182039527701
Energy: 0.6001367489842511
Energy: 0.6128182039522981
Energy: 0.600136748984723
Energy: 0.5967913787781637
Energy: 0.6134882288019748
Energy: 0.5967913787786358
Energy: 0.6134882288019748
Energy: 0.5967913787781637
Energy: 0.6134882288024468
Energy: 0.59916198007087
Energy: 0.5970624517065639
Energy: 0.5991619800689817
Energy: 0.5970624517051477
Energy: 0.599161980071342
Energy: 0.5970624517084522
Energy: 0.5914935124135895
Energy: 0.6337724669077316
Energy: 0.5914935124131174
Energy: 0.6337724669091477
Energy: 0.5914935124117012
Energy: 0.6337724669077316
Energy: 0.6052157998474936
Energy: 0.6032583908436193
Energy: 0.6052157998446611
Energy: 0.6032583908455077
Energy: 0.6052157998451332
Energy: 0.6032583908450355
Energy: 0.6017212375828705
Energy: 0.6025071243690161
Energy: 0.6017212376125896
Energy: 0.6025071243671278
Energy: 0.6017212376121175
Energy: 0.6025071243675999
Energy: 0.5946766598895071
Energy: 0.5987214439014311
Energy: 0.5946766598937558
Energy: 0.5987214439028472
Energy: 0.5946766598918675
Energy: 0.5987214439023751
Energy: 0.5925562335393286
Energy: 0.6328082812203595
Energy: 0.5925562335393286
Energy: 0.6328082812213037
Energy: 0.5925562335412169
Energy: 0.6328082812213037

minimum gb energy = 0.5861883231981928 eV
minimum distance =  2.55327043750701 Angstroms
sigma value = 57


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

Energy: 0.6137689822598469
Energy: 0.6146311096871455
Energy: 0.6137689822615271
Energy: 0.6146311096854654
Energy: 0.6137689822598469
Energy: 0.6146311096863054
Energy: 0.6123759597619869
Energy: 0.6717912647713036
Energy: 0.6123759597619869
Energy: 0.6717912647696235
Energy: 0.612375959765347
Energy: 0.6717912647671034
Energy: 0.6086786653410273
Energy: 0.6202946888987368
Energy: 0.6086786653468981
Energy: 0.620294688899577
Energy: 0.6086786653485783
Energy: 0.620294688899577
Energy: 0.6107117709806674
Energy: 0.7817599737274856
Energy: 0.6107117709789872
Energy: 0.6158211954907865
Energy: 0.6107117709798273
Energy: 0.6158211954949867
Energy: 0.6086323716140066
Energy: 0.6202906143241931
Energy: 0.6086323716098063
Energy: 0.6202906143241931
Energy: 0.6086323716072861
Energy: 0.6202906143241931
Energy: 0.6124575961982023
Energy: 0.669717709690707
Energy: 0.6124575961923217
Energy: 0.669717709691547
Energy: 0.6124575961965221
Energy: 0.606544843612585
Energy: 0.6137689822564962
Energy: 0.6146311096913457
Energy: 0.6137689822573362
Energy: 0.6146311096905057
Energy: 0.6137689822564962
Energy: 0.6146311096921763
Energy: 0.6123759597619869
Energy: 0.6717912647738142
Energy: 0.612375959765347
Energy: 0.6717912647729741
Energy: 0.612375959764507
Energy: 0.6717912647704635
Energy: 0.6086786653452276
Energy: 0.620294688910574
Energy: 0.6086786653485783
Energy: 0.6202946889097338
Energy: 0.6086786653552987
Energy: 0.620294688912254
Energy: 0.6107117709815074
Energy: 0.592875461941974
Energy: 0.6107117709798273
Energy: 0.5928754619370196
Energy: 0.6107117709815074
Energy: 0.5928754619402938
Energy: 0.608632371598895
Energy: 0.6202906143309136
Energy: 0.6086323716005753
Energy: 0.6202906143300735
Energy: 0.6086323716114864
Energy: 0.6202906143309136
Energy: 0.6124575961940019
Energy: 0.6065448436109049
Energy: 0.6124575961940019
Energy: 0.606544843612585
Energy: 0.6124575961990423
Energy: 0.6065448436100648
Energy: 0.6137689822632071
Energy: 0.6146311096846254
Energy: 0.613768982260687
Energy: 0.6146311096879855
Energy: 0.6137689822623671
Energy: 0.6146311096837853
Energy: 0.6123759597603068
Energy: 0.6717912647763344
Energy: 0.6123759597586266
Energy: 0.6717912647754943
Energy: 0.6123759597628269
Energy: 0.6717912647687835
Energy: 0.6086786653477382
Energy: 0.6202946888987368
Energy: 0.6086786653452276
Energy: 0.6202946888987368
Energy: 0.6086786653494183
Energy: 0.620294688899577
Energy: 0.6107117709798273
Energy: 0.5928754619411338
Energy: 0.6107117709798273
Energy: 0.5928754619311392
Energy: 0.6107117709815074
Energy: 0.5928754619344994
Energy: 0.6086323716039355
Energy: 0.6202906143241931
Energy: 0.6086323716039355
Energy: 0.6202906143241931
Energy: 0.6086323716156867
Energy: 0.6202906143233531

minimum gb energy = 0.5928754619311392 eV
minimum distance =  2.55990544958365 Angstroms
sigma value = 9


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

Energy: 0.6728322907435241
Energy: 0.6180614025200472
Energy: 0.6728322907448959
Energy: 0.6180614025207332
Energy: 0.6728322907421522
Energy: 0.6180614025186754
Energy: 0.6444967620154056
Energy: 0.6160584952378488
Energy: 0.6444967620106044
Energy: 0.616058495237163
Energy: 0.6444967620133479
Energy: 0.6160584952357911
Energy: 0.6384145488183499
Energy: 0.6185898214530786
Energy: 0.6601833870988217
Energy: 0.6185898214517068
Energy: 0.6368665486879893
Energy: 0.6185898214517068
Energy: 0.6101050428387058
Energy: 0.6753753683109072
Energy: 0.61010504283802
Energy: 0.6753753683122791
Energy: 0.6101050428345904
Energy: 0.6753753683122791
Energy: 0.6359275954650332
Energy: 0.628291061973829
Energy: 0.635927595466405
Energy: 0.628291061973829
Energy: 0.6359275954616037
Energy: 0.6282910619793162
Energy: 0.647268027396071
Energy: 0.6194657988416447
Energy: 0.6472680273926414
Energy: 0.6194657988450741
Energy: 0.6472680274042862
Energy: 0.6194657988423306
Energy: 0.6097996016525852
Energy: 0.6491880106356431
Energy: 0.6097996016525852
Energy: 0.6491880106328994
Energy: 0.6097996016525852
Energy: 0.6491880106363289
Energy: 0.6294932539690696
Energy: 0.6442303118438295
Energy: 0.6294932539752428
Energy: 0.6442303118438295
Energy: 0.6294932539718133
Energy: 0.6442303118438295
Energy: 0.6772353807096222
Energy: 0.6382110846617832
Energy: 0.6772353807096222
Energy: 0.6382110846617832
Energy: 0.6772353807068785
Energy: 0.6382110846624691
Energy: 0.6106988662076399
Energy: 0.632209823872253
Energy: 0.610698866204912
Energy: 0.6322098238756669
Energy: 0.6106988662055978
Energy: 0.6322098238736248
Energy: 0.6334665778136016
Energy: 0.6447959442953304
Energy: 0.6334665778238902
Energy: 0.6447959442973881
Energy: 0.6334665778163453
Energy: 0.6447959442973881
Energy: 0.6639468944752069
Energy: 0.6198017803077798
Energy: 0.6639468944731493
Energy: 0.6198017803057376
Energy: 0.6639468944745212
Energy: 0.6198017803064235
Energy: 0.6241896778191134
Energy: 0.6497390781352624
Energy: 0.6241896778156995
Energy: 0.6497390781352624
Energy: 0.6241896778163853
Energy: 0.6497390781359483
Energy: 0.6261182125503026
Energy: 0.6319441120608128
Energy: 0.6261182125516743
Energy: 0.6319441120635564
Energy: 0.6261182125537322
Energy: 0.6319441120614986
Energy: 0.6492378660037242
Energy: 0.6194940310095137
Energy: 0.6492378660037242
Energy: 0.6194940310101996
Energy: 0.6492378660037242
Energy: 0.6194940310115714
Energy: 0.6276427168479737
Energy: 0.6430099952438257
Energy: 0.6276427168486596
Energy: 0.6430099952458834
Energy: 0.6276427168411302
Energy: 0.6430099952465693
Energy: 0.6424658280654857
Energy: 0.6434599876621533
Energy: 0.6424658280599985
Energy: 0.6434599876635252
Energy: 0.6424658280620562
Energy: 0.6434599876690124
Energy: 0.6997112282151323
Energy: 0.6192135680923171
Energy: 0.6997112282158182
Energy: 0.6192135680923171
Energy: 0.6997112282158182
Energy: 0.619213568093689
Energy: 0.6121982093835638
Energy: 0.6323493243172431
Energy: 0.6121982093842497
Energy: 0.6323493243158712
Energy: 0.6121982093849356
Energy: 0.6323493243172431
Energy: 0.6195131348041346
Energy: 0.616827880000562
Energy: 0.6195131348000191
Energy: 0.6168278799998761
Energy: 0.6195131348000191
Energy: 0.616827880000562
Energy: 0.6635618239646567
Energy: 0.6454959706990442
Energy: 0.6635618239722016
Energy: 0.6454959707093172
Energy: 0.6635618239680862
Energy: 0.6454959707086311

minimum gb energy = 0.6097996016525852 eV
minimum distance =  2.53993200137026 Angstroms
sigma value = 27


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

Energy: 0.6723771956462529
Energy: 0.6142894546182595
Energy: 0.6723771956427839
Energy: 0.6142894546171032
Energy: 0.6723771956450965
Energy: 0.6142894546142121
Energy: 0.6513635506772534
Energy: 0.6263518294482439
Energy: 0.6513635506732062
Energy: 0.6263518294459313
Energy: 0.6513635506772534
Energy: 0.6263518294453532
Energy: 0.6287154253799123
Energy: 0.6230306041092407
Energy: 0.6287154253804905
Energy: 0.6230306041057716
Energy: 0.6287154253845377
Energy: 0.623030604106928
Energy: 0.6259705812708127
Energy: 0.6217029541327052
Energy: 0.6259705812713908
Energy: 0.6217029541327052
Energy: 0.6259705812713908
Energy: 0.6217029541350046
Energy: 0.6250580912297204
Energy: 0.615419213411229
Energy: 0.6250580912291422
Energy: 0.6154192134106508
Energy: 0.6250580912274079
Energy: 0.6154192134106508
Energy: 0.6223492231600172
Energy: 0.6471817323132866
Energy: 0.6223492231611736
Energy: 0.6471817323138648
Energy: 0.622349223159439
Energy: 0.6471817323127085
Energy: 0.6289549903616277
Energy: 0.6428032980503146
Energy: 0.6289549903633623
Energy: 0.6428032980508928
Energy: 0.6289549903616277
Energy: 0.6428032980491583
Energy: 0.6273370564070263
Energy: 0.6245858760787609
Energy: 0.6273370564035704
Energy: 0.6245858760781828
Energy: 0.6273370564122298
Energy: 0.6245858760781828
Energy: 0.6161555200656492
Energy: 0.6318772897447829
Energy: 0.6161555200644927
Energy: 0.6318772897447829
Energy: 0.6161555200691181
Energy: 0.6318772897447829
Energy: 0.6254547242272147
Energy: 0.6156409712755416
Energy: 0.6254547242266365
Energy: 0.6156409712749634
Energy: 0.6254547242249021
Energy: 0.6156409712738071
Energy: 0.6256256326846769
Energy: 0.6300136371568544
Energy: 0.6256256326858333
Energy: 0.6300136371551199
Energy: 0.6256256326823643
Energy: 0.630013637155698
Energy: 0.6392967811777406
Energy: 0.631990579237819
Energy: 0.6392967811817879
Energy: 0.631990579237819
Energy: 0.6392967811794751
Energy: 0.6319905792355064
Energy: 0.6263392717193176
Energy: 0.6184734675560724
Energy: 0.6263392717193176
Energy: 0.6184734675554941
Energy: 0.6263392717198827
Energy: 0.6184734675595415
Energy: 0.6300488962110615
Energy: 0.6175468866039682
Energy: 0.6300488962122178
Energy: 0.6175468866091717
Energy: 0.6300488962099051
Energy: 0.6175468866039682
Energy: 0.6014574506333186
Energy: 0.6543198886803814
Energy: 0.601457450634475
Energy: 0.6543198886792251
Energy: 0.6014574506367877
Energy: 0.6543198886786469
Energy: 0.6295645853074013
Energy: 0.6155719059138839
Energy: 0.6295645853074013
Energy: 0.6155719059138839
Energy: 0.629564585305667
Energy: 0.6155719059150402
Energy: 0.6336404456069572
Energy: 0.626442295404813
Energy: 0.6336404456075353
Energy: 0.6264422954036567
Energy: 0.6336404456069572
Energy: 0.6264422954036567
Energy: 0.6210106796088827
Energy: 0.6178818849926168
Energy: 0.6210106796083045
Energy: 0.6178818849920384
Energy: 0.6210106796088827
Energy: 0.6178818849937731
Energy: 0.5938789130291475
Energy: 0.6265891860593424
Energy: 0.5938789130245222
Energy: 0.6265891860616551
Energy: 0.5938789130320384
Energy: 0.6265891860593424
Energy: 0.6723771956474092
Energy: 0.6142894546222935
Energy: 0.6723771956450965
Energy: 0.6142894546188375
Energy: 0.6723771956474092
Energy: 0.6142894546234497
Energy: 0.6513635506824567
Energy: 0.6263518294494003
Energy: 0.6513635506807223
Energy: 0.6263518294494003
Energy: 0.6513635506813005
Energy: 0.6263518294505566
Energy: 0.6287154253804905
Energy: 0.6230306041046154
Energy: 0.6287154253793342
Energy: 0.6230306041046154
Energy: 0.6287154253810687
Energy: 0.6230306041051935
Energy: 0.6259705812690782
Energy: 0.6217029541315487
Energy: 0.6259705812679218
Energy: 0.6217029541309707
Energy: 0.6259705812708127
Energy: 0.6217029541332834
Energy: 0.6250580912256732
Energy: 0.6154192133979443
Energy: 0.6250580912239387
Energy: 0.6154192134048821
Energy: 0.625058091225095
Energy: 0.615419213400835
Energy: 0.6223492231617518
Energy: 0.6471817323208028
Energy: 0.6223492231629081
Energy: 0.6471817323208028
Energy: 0.62234922316233
Energy: 0.6471817323202246

minimum gb energy = 0.5938789130245222 eV
minimum distance =  2.54078793098101 Angstroms
sigma value = 19


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

Energy: 0.6306735367709247
Energy: 0.623577828931551
Energy: 0.6306735367704256
Energy: 0.6235778289325493
Energy: 0.6306735367704256
Energy: 0.6235778289300539
Energy: 0.6082584424541833
Energy: 0.6061085997187367
Energy: 0.6082584424546825
Energy: 0.6061085997192358
Energy: 0.6082584424546825
Energy: 0.606108599721731
Energy: 0.6145128758815583
Energy: 0.5954144793973573
Energy: 0.6145128758845527
Energy: 0.595414479396359
Energy: 0.6145128758845527
Energy: 0.5954144793968581
Energy: 0.6024605244501176
Energy: 0.6010961240498007
Energy: 0.6024605244486203
Energy: 0.6010961240493016
Energy: 0.6024605244486203
Energy: 0.6010961240483035
Energy: 0.6096815389431085
Energy: 0.6148858275020413
Energy: 0.6096815389436075
Energy: 0.6148858275344695
Energy: 0.6096815389485982
Energy: 0.6148858275150171
Energy: 0.6029861390553938
Energy: 0.612342243435667
Energy: 0.6029861390528984
Energy: 0.612342243435168
Energy: 0.6029861390519003
Energy: 0.612342243435667
Energy: 0.5962153440518408
Energy: 0.6172790068159998
Energy: 0.5962153440548352
Energy: 0.6172790068095233
Energy: 0.5962153440543362
Energy: 0.6172790068164989
Energy: 0.6041943342094236
Energy: 0.6214714278218717
Energy: 0.6041943342194049
Energy: 0.6214714278238679
Energy: 0.6041943342094236
Energy: 0.6214714278233688
Energy: 0.6242024677236002
Energy: 0.5964322233806654
Energy: 0.6242024677240993
Energy: 0.5964322233811644
Energy: 0.6242024677255965
Energy: 0.5964322233806654
Energy: 0.6179715860315669
Energy: 0.604255616738344
Energy: 0.6179715860315669
Energy: 0.6042556167378451
Energy: 0.6179715860315669
Energy: 0.604255616737346
Energy: 0.6030255276905864
Energy: 0.6278914945125915
Energy: 0.6030255276905864
Energy: 0.6278914945135898
Energy: 0.6030255276920836
Energy: 0.6278914945130907
Energy: 0.6124960137563349
Energy: 0.5960236919142335
Energy: 0.6124960137558358
Energy: 0.5960236919142335
Energy: 0.6124960137568339
Energy: 0.5960236919142335
Energy: 0.6075309572401753
Energy: 0.6071720238488989
Energy: 0.6075309572431696
Energy: 0.6071720238488989
Energy: 0.6075309572391769
Energy: 0.6071720238483999
Energy: 0.6083123737096001
Energy: 0.6012959280968554
Energy: 0.6083123737076038
Energy: 0.6012959280973544
Energy: 0.608312373708602
Energy: 0.6012959280978535
Energy: 0.6202444985338678
Energy: 0.5971516974946671
Energy: 0.620244498535864
Energy: 0.5971516974961643
Energy: 0.6202444985353649
Energy: 0.5971516974951662
Energy: 0.6201121428248294
Energy: 0.5947792969629765
Energy: 0.6201121428268257
Energy: 0.5947792969589839
Energy: 0.6201121428268257
Energy: 0.5947792969624773
Energy: 0.6025330593402276
Energy: 0.6073853059114452
Energy: 0.6025330593387304
Energy: 0.6073853059109462
Energy: 0.6025330593392294
Energy: 0.6073853059119443
Energy: 0.6185169550884033
Energy: 0.6181440621143716
Energy: 0.6185169550849099
Energy: 0.6181440621143716
Energy: 0.6185169550859081
Energy: 0.6181440621153698
Energy: 0.6119259122624139
Energy: 0.611653595242183
Energy: 0.611925912263412
Energy: 0.611653595242183
Energy: 0.6374081892447082
Energy: 0.6116535952406857
Energy: 0.5991569839386743
Energy: 0.6162168113727204
Energy: 0.5991569839376762
Energy: 0.6162168113732195
Energy: 0.5991569839401716
Energy: 0.6162168113742177
Energy: 0.5921181073130952
Energy: 0.6276225868823097
Energy: 0.5921181073160896
Energy: 0.6276225868823097
Energy: 0.5921181073135943
Energy: 0.6276225868823097
Energy: 0.62919279749095
Energy: 0.5963338223226817
Energy: 0.6291927974899519
Energy: 0.5963338223236799
Energy: 0.6291927974874567
Energy: 0.5963338223236799
Energy: 0.6261784051062307
Energy: 0.6083918303756574
Energy: 0.6261784051062307
Energy: 0.6083918303751583
Energy: 0.6261784051032362
Energy: 0.6083918303756574
Energy: 0.6318166099562754
Energy: 0.6286043059690475
Energy: 0.6318166099552772
Energy: 0.6286043059680494
Energy: 0.6318166099567746
Energy: 0.6286043059675503
Energy: 0.6115281003760344
Energy: 0.5969194280794695
Energy: 0.6115281003755354
Energy: 0.5969194280784713
Energy: 0.611528100373539
Energy: 0.5969194280784713
Energy: 0.612930283399064
Energy: 0.6015968054248128
Energy: 0.6129302833950714
Energy: 0.6015968054243137
Energy: 0.6129302833970678
Energy: 0.6015968054243137
Energy: 0.5949412305194229
Energy: 0.6075590351983596
Energy: 0.5949412305204209
Energy: 0.6075590351963632
Energy: 0.5949412305209201
Energy: 0.6075590351973615
Energy: 0.624046535472795
Energy: 0.610444586927638
Energy: 0.624046535472795
Energy: 0.610444586927139
Energy: 0.624046535472795
Energy: 0.610444586927638
Energy: 0.6125697778305925
Energy: 0.6089169990429686
Energy: 0.6125697778300935
Energy: 0.6089169990419705
Energy: 0.6125697778305925
Energy: 0.6089169990429686

minimum gb energy = 0.5921181073130952 eV
minimum distance =  2.54075030644186 Angstroms
sigma value = 101


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

Energy: 0.5896565682577779
Energy: 0.5972102390338011
Energy: 0.5896565682595328
Energy: 0.5972102390364334
Energy: 0.5896565682577779
Energy: 0.5972102390386268
Energy: 0.6069550835279812
Energy: 0.5846045356954044
Energy: 0.6069550835139527
Energy: 0.5850161152686435
Energy: 0.6069550835411324
Energy: 0.5776232743968972
Energy: 0.5874156004489339
Energy: 0.568885027017196
Energy: 0.5874156004498112
Energy: 0.5688850270163186
Energy: 0.5874156004397311
Energy: 0.5688850270167574
Energy: 0.5580123667798191
Energy: 0.598632626053015
Energy: 0.558012366778503
Energy: 0.6377933914369965
Energy: 0.5580123667758707
Energy: 0.5932543169480418
Energy: 0.5815583657602496
Energy: 0.5791872577830673
Energy: 0.5815583657567499
Energy: 0.5791872577856996
Energy: 0.581558365753679
Energy: 0.5791872577830673
Energy: 0.583312686958377
Energy: 0.5683555595474886
Energy: 0.5833126869548674
Energy: 0.5683555595474886
Energy: 0.5833126869579383
Energy: 0.5683555595474886
Energy: 0.5776804770478469
Energy: 0.5969280673945744
Energy: 0.5776804770443371
Energy: 0.596928067390636
Energy: 0.5776804770474081
Energy: 0.5969280673919521
Energy: 0.5589912851812773
Energy: 0.6500606062365396
Energy: 0.558991285181716
Energy: 0.6167261728699667
Energy: 0.5589912851825934
Energy: 0.5936131365626341
Energy: 0.5818361186326251
Energy: 0.5677032096666803
Energy: 0.581836118629993
Energy: 0.5677032096658029
Energy: 0.5818361186356962
Energy: 0.5677032096640481
Energy: 0.582297005482517
Energy: 0.589202892077548
Energy: 0.5822970054851492
Energy: 0.5892028920766705
Energy: 0.5822970054842719
Energy: 0.5892028920766705
Energy: 0.5583879590671939
Energy: 0.6615678587880863
Energy: 0.5583879590689488
Energy: 0.6615678587867702
Energy: 0.5583879590671939
Energy: 0.661567858789841
Energy: 0.6190659931740645
Energy: 0.5841647209741854
Energy: 0.6190659931718709
Energy: 0.584432430552997
Energy: 0.6190659931740645
Energy: 0.5771319530187977
Energy: 0.5808362113020913
Energy: 0.5688565212111955
Energy: 0.5808362113012139
Energy: 0.5688565212090118
Energy: 0.5808362112994591
Energy: 0.5688565212125114
Energy: 0.5916189478281485
Energy: 0.6211355395482577
Energy: 0.5916189478285871
Energy: 0.6211355395513286
Energy: 0.5916189478281485
Energy: 0.603703046212114
Energy: 0.6051027877040305
Energy: 0.5783872402998641
Energy: 0.6051027877040305
Energy: 0.5783872402994253
Energy: 0.6051027877035917
Energy: 0.5783872403016089
Energy: 0.5846991061086118
Energy: 0.5685015170909917
Energy: 0.5846991061103667
Energy: 0.5685015170923079
Energy: 0.5846991061068569
Energy: 0.5685015170909917
Energy: 0.5582639695183005
Energy: 0.6040776444281335
Energy: 0.5582639695174231
Energy: 0.6040776444268174
Energy: 0.5582639695196167
Energy: 0.6040776444255014
Energy: 0.5588429433335843
Energy: 0.5899609519297443
Energy: 0.5588429433305133
Energy: 0.589960951930183
Energy: 0.5588429433335843
Energy: 0.5899609519306218
Energy: 0.5827182574951151
Energy: 0.5677309540567234
Energy: 0.582718257498186
Energy: 0.567730954058907
Energy: 0.5827182574968699
Energy: 0.5677309540562847
Energy: 0.578434988777861
Energy: 0.5964842941337201
Energy: 0.5784349887782997
Energy: 0.5964842941350363
Energy: 0.5784349887765449
Energy: 0.5964842941337201
Energy: 0.558526044708978
Energy: 0.6526769425904503
Energy: 0.5585260447094168
Energy: 0.6526769425847472
Energy: 0.5585260447098555
Energy: 0.6526769425865021
Energy: 0.6163078017547768
Energy: 0.5675258929358945
Energy: 0.6163078017495123
Energy: 0.5675258929358945
Energy: 0.6163078017538993
Energy: 0.5675258929363333
Energy: 0.6168413975164496
Energy: 0.5681162020205507
Energy: 0.6168413975125012
Energy: 0.568116202021428
Energy: 0.61684139751294
Energy: 0.5681162020166023
Energy: 0.5578959735234037
Energy: 0.6033792777791531
Energy: 0.5578959735212102
Energy: 0.6033792777795918
Energy: 0.5578959735207716
Energy: 0.6033792777826529
Energy: 0.6119396062267454
Energy: 0.5783655679952115
Energy: 0.6119396062328872
Energy: 0.5783655679938955
Energy: 0.611939606230255
Energy: 0.5783655679930182
Energy: 0.5828245440940386
Energy: 0.5685280919913983
Energy: 0.5828245440949161
Energy: 0.5685280919892047
Energy: 0.5828245440940386
Energy: 0.5685280919913983
Energy: 0.5958644486175708
Energy: 0.6029011224456517
Energy: 0.5958644486193257
Energy: 0.6029011224474066
Energy: 0.595864448618887
Energy: 0.6029011224460905
Energy: 0.5969519403894191
Energy: 0.5773113137313561
Energy: 0.5969519403902964
Energy: 0.5773113137335496
Energy: 0.596951940388103
Energy: 0.5773113137304786
Energy: 0.6048771503416306
Energy: 0.5689300322376016
Energy: 0.604877150351721
Energy: 0.5689300322393563
Energy: 0.6048771503455791
Energy: 0.5689300322406725
Energy: 0.5589137250469819
Energy: 0.6069613112766855
Energy: 0.5589137250461044
Energy: 0.606961311277563
Energy: 0.5589137250469819
Energy: 0.6069613112788791
Energy: 0.5581801489828208
Energy: 0.5907055914067235
Energy: 0.5581801489841369
Energy: 0.5907055914076009
Energy: 0.5581801489880851
Energy: 0.5907055914071622
Energy: 0.6165341573331174
Energy: 0.5677324797328162
Energy: 0.6165341573339949
Energy: 0.5677324797319387
Energy: 0.6165341573322399
Energy: 0.5677324797332549
Energy: 0.611725370717335
Energy: 0.5685577802090656
Energy: 0.6117253707182025
Energy: 0.5685577802156462
Energy: 0.6117253707199574
Energy: 0.5685577802095043

minimum gb energy = 0.5578959735207716 eV
minimum distance =  2.54815471416279 Angstroms
sigma value = 33


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

Energy: 0.005685004592371692
Energy: 0.3874222646739133
Energy: 0.005685004593799342
Energy: 0.38742226467142254
Energy: 0.0056850045941537215
Energy: 0.38742226467213126
Energy: 0.006028975978981244
Energy: 0.14930633408103575
Energy: 0.006028975977553594
Energy: 0.1493063340778362
Energy: 0.00602897598005451
Energy: 0.14930633407747168
Energy: 0.38766735691878756
Energy: 0.1500373886709626
Energy: 0.3876673569593997
Energy: 0.15003738867203587
Energy: 0.38766735693018856
Energy: 0.1500373886763087
Energy: 0.006028975977199213
Energy: 0.14930633408139013
Energy: 0.00602897597578169
Energy: 0.14930633408389107
Energy: 0.006028975976844832
Energy: 0.1493063340792537

minimum gb energy = 0.005685004592371692 eV
minimum distance =  2.80245258414338 Angstroms
sigma value = 1