Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cu__MO_151002396060_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.607352703809738
cohesive_energy=3.5352136626369166
mass=63.546
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: 0.0 eV

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

Energy: 0.013747707235773482
Energy: 1.4663535731244273
Energy: 0.013747707235773482
Energy: 1.4663535731244273
Energy: 0.013747707236088421
Energy: 1.4663535731244273
Energy: 1.4663535731247423
Energy: 1.719986660334295
Energy: 1.4663535731241124
Energy: 1.5010465715279477
Energy: 1.4663535731241124
Energy: 1.5010465715285775
Energy: 0.013747707235773482
Energy: 1.4663535731244273
Energy: 0.013747707235773482
Energy: 1.4663535731241124
Energy: 0.013747707236088421
Energy: 1.4663535731244273
Energy: 1.4663535731244273
Energy: 1.5010465715282628
Energy: 1.4663535731241124
Energy: 1.5010465715282628
Energy: 1.4663535731244273
Energy: 1.5010465715282628
Energy: 0.013747707236088421
Energy: 1.4663535731241124
Energy: 0.013747707235773482
Energy: 1.4663535731247423
Energy: 0.013747707236088421
Energy: 1.4663535731244273
Energy: 1.4663535731247423
Energy: 1.5010465715279477
Energy: 1.4663535731244273
Energy: 1.5010465715282628
Energy: 1.4663535731241124
Energy: 1.5010465715276329

minimum gb energy = 0.013747707235773482 eV
minimum distance =  2.30194022835786 Angstroms
sigma value = 1


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

Energy: 1.6422720337223267
Energy: 1.4717007497121017
Energy: 1.6422720337230845
Energy: 1.4717007497098273
Energy: 1.6422720337215684
Energy: 1.4717007497128598
Energy: 1.7302643507505442
Energy: 1.3477226013374544
Energy: 1.7302643507452375
Energy: 1.3477226013382126
Energy: 1.7302643507505442
Energy: 1.3477226013389707
Energy: 1.5152146517461644
Energy: 1.5455695692847748
Energy: 1.5152146517446483
Energy: 1.5455695692832587
Energy: 1.5152146517454066
Energy: 1.545569569285533
Energy: 1.6607506862444419
Energy: 1.4504652852778628
Energy: 1.6607506862444419
Energy: 1.4504652852778628
Energy: 1.6607506862482322
Energy: 1.4504652852778628
Energy: 1.5318440056453144
Energy: 1.6535521734635659
Energy: 1.5318440056453144
Energy: 1.6535521734635659
Energy: 1.5318440056468305
Energy: 1.6535521734643244
Energy: 1.5894455277148969
Energy: 1.4159179664398995
Energy: 1.5894455277148969
Energy: 1.4159179664406232
Energy: 1.5894455277171713
Energy: 1.4159179664398995
Energy: 1.43487196979334
Energy: 1.6059208224066936
Energy: 1.43487196979334
Energy: 1.6059208224059354
Energy: 1.4348719697903078
Energy: 1.6059208224074517
Energy: 1.4351634400971
Energy: 1.7102970859184805
Energy: 1.4351634400933098
Energy: 1.7102970859184805
Energy: 1.4351634400887612
Energy: 1.7102970859192386
Energy: 1.6094183605638408
Energy: 1.6081294591550364
Energy: 1.6094183605638408
Energy: 1.6081294591542783
Energy: 1.6094183605638408
Energy: 1.6081294591542783
Energy: 1.3399830646143587
Energy: 1.7002718074903822
Energy: 1.3399830646128426
Energy: 1.7002718074972054
Energy: 1.3399830646120845
Energy: 1.7002718075002377
Energy: 1.5425435277912571
Energy: 1.4252837499352276
Energy: 1.5425435277927735
Energy: 1.4252837499367434
Energy: 1.5425435277935313
Energy: 1.4252837499367434
Energy: 1.2730156624411726
Energy: 1.6389696780237082
Energy: 1.2730156624388984
Energy: 1.638969678029015
Energy: 1.2730156624396562
Energy: 1.638969678028257
Energy: 1.736940714000406
Energy: 1.2557494324160359
Energy: 1.7369407140011646
Energy: 1.2557494324152778
Energy: 1.736940714004197
Energy: 1.2557494324145198
Energy: 1.4340631612026498
Energy: 1.5278030001653324
Energy: 1.4340631612041659
Energy: 1.5278030001691232
Energy: 1.4340631612034078
Energy: 1.5278030001698812
Energy: 1.7981263698426546
Energy: 1.3448156095900334
Energy: 1.7981263698426546
Energy: 1.3448156095907915
Energy: 1.798126369843413
Energy: 1.3448156095900334
Energy: 1.790327639241934
Energy: 1.5874238462806594
Energy: 1.790327639241934
Energy: 1.58742384628445
Energy: 1.7903276392426921
Energy: 1.5874238462821757
Energy: 1.5938597382977429
Energy: 1.5591988060461217
Energy: 1.593859738313663
Energy: 1.5591988060453636
Energy: 1.5938597383091146
Energy: 1.5591988060468798
Energy: 1.5932841056337688
Energy: 1.4517718396998829
Energy: 1.5932841056368012
Energy: 1.4517718397067056
Energy: 1.5932841056368012
Energy: 1.4517718396968504
Energy: 1.4610465212581516
Energy: 1.4498881802467993
Energy: 1.4610465212573935
Energy: 1.4498881802452832
Energy: 1.4610465212604258
Energy: 1.449888180244525
Energy: 1.567063555874567
Energy: 1.416249095337424
Energy: 1.5670635558715347
Energy: 1.4162490953404565
Energy: 1.5670635558692605
Energy: 1.4162490953389404
Energy: 1.3611911330666957
Energy: 1.6722883726034883
Energy: 1.3611911330674538
Energy: 1.6722883692215815
Energy: 1.3611911330666957
Energy: 1.67228836558585
Energy: 1.6088342382351808
Energy: 1.6091269111274689
Energy: 1.6088342382351808
Energy: 1.609126911128227
Energy: 1.6088342382321488
Energy: 1.609126911128227
Energy: 1.331000436220287
Energy: 1.730594671581094
Energy: 1.331000436220287
Energy: 1.7305946715773037
Energy: 1.331000436221045
Energy: 1.7305946715757876

minimum gb energy = 1.2557494324145198 eV
minimum distance =  2.32667585008884 Angstroms
sigma value = 33


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

Energy: 1.8657757691543766
Energy: 1.6866961131641842
Energy: 1.7797134419313796
Energy: 1.686696113167203
Energy: 1.8657757691479477
Energy: 1.686696113167203
Energy: 1.7784686220981303
Energy: 1.4860759640909786
Energy: 1.7784686220907997
Energy: 1.4860759640974468
Energy: 1.7784686220951118
Energy: 1.4860759640965846
Energy: 1.422357498133603
Energy: 1.4987499293994326
Energy: 1.4223574981310156
Energy: 1.4987500393276847
Energy: 1.422357498127566
Energy: 1.4987494935173507
Energy: 1.674505828794193
Energy: 1.615229109529432
Energy: 1.6745058287920371
Energy: 1.615229109376002
Energy: 1.674505828798505
Energy: 1.6152291093471114
Energy: 1.6124118735685697
Energy: 1.5423195776403822
Energy: 1.6124118735612392
Energy: 1.5423195776446943
Energy: 1.6124118735659825
Energy: 1.5423195776425382
Energy: 1.4560034203451953
Energy: 1.3215799555874432
Energy: 1.4560034080777415
Energy: 1.3215799555895995
Energy: 1.4560033784124973
Energy: 1.321579955582269
Energy: 1.6927456362226156
Energy: 1.7662954006769893
Energy: 1.6927456361415496
Energy: 1.7662954006821638
Energy: 1.6927456357618555
Energy: 1.7662954006817326
Energy: 1.2965306187758687
Energy: 1.7499206733881632
Energy: 1.2965306187754373
Energy: 1.749920112860946
Energy: 1.296530618775006
Energy: 1.7499197998775486
Energy: 1.36403456810845
Energy: 1.426507860160189
Energy: 1.364034568105863
Energy: 1.4265078601619139
Energy: 1.3640345681050006
Energy: 1.4265078601619139
Energy: 1.3931690451036927
Energy: 1.27507655704764
Energy: 1.393166548054068
Energy: 1.275057844277167
Energy: 1.3931690451019678
Energy: 1.2750526072769401
Energy: 1.7007959717603696
Energy: 1.3964415892070823
Energy: 1.7007959717577825
Energy: 1.3964415892075135
Energy: 1.7007959717608006
Energy: 1.396441589207945
Energy: 1.4241603333370205
Energy: 1.4640039234395628
Energy: 1.4241604401667252
Energy: 1.464003923433526
Energy: 1.4241603333443509
Energy: 1.4640039234330948
Energy: 1.7291451341304913
Energy: 1.371886427579919
Energy: 1.7291451341369592
Energy: 1.3718864275820752
Energy: 1.7291451341300599
Energy: 1.3718864275820752
Energy: 1.6756088565401812
Energy: 1.693204993745761
Energy: 1.6756088565440228
Energy: 1.6932049937108333
Energy: 1.6756088565479037
Energy: 1.6932049936763764
Energy: 1.6390913361463897
Energy: 1.4858628411197332
Energy: 1.6390913361364716
Energy: 1.485862841123183
Energy: 1.6390913361446648
Energy: 1.48586284112577
Energy: 1.42261887842855
Energy: 1.4853632507448054
Energy: 1.4226188784281188
Energy: 1.4853632507387684
Energy: 1.4226188784259626
Energy: 1.4853632507400623
Energy: 1.6742816944531567
Energy: 1.6152403839120222
Energy: 1.674281470352556
Energy: 1.6152403839133158
Energy: 1.6742810494649343
Energy: 1.6152403839111598
Energy: 1.6292265479140882
Energy: 1.3201007800445244
Energy: 1.6292265479201251
Energy: 1.320100780039781
Energy: 1.6292265479106387
Energy: 1.3201007800415057
Energy: 1.45788142058254
Energy: 1.4129182563221772
Energy: 1.4578814205855586
Energy: 1.4129182563208837
Energy: 1.457881420586421
Energy: 1.4129182563208837
Energy: 1.7433742743938239
Energy: 1.7645715171620673
Energy: 1.7433440919631469
Energy: 1.764571517174141
Energy: 1.7433742743873555
Energy: 1.7645715171732785
Energy: 1.3563942909551938
Energy: 1.7899847315852295
Energy: 1.3563657019259192
Energy: 1.7899847315671191
Energy: 1.3563942909504505
Energy: 1.7899847315671191
Energy: 1.5197273023241729
Energy: 1.426622703186494
Energy: 1.519727302316411
Energy: 1.4266227031882184
Energy: 1.5197273023185671
Energy: 1.4266227031877872
Energy: 1.3933932828526023
Energy: 1.3087824565758617
Energy: 1.3933958568774678
Energy: 1.3155342152865228
Energy: 1.3933932828547584
Energy: 1.3091146807732625
Energy: 1.7227531556902353
Energy: 1.6117006478143205
Energy: 1.7227531556893727
Energy: 1.6117006478078522
Energy: 1.72275315569196
Energy: 1.6117006478061275
Energy: 1.4224173371525013
Energy: 1.4511409330033151
Energy: 1.4222993580957928
Energy: 1.4511409329968472
Energy: 1.422417337149914
Energy: 1.4511409329959848
Energy: 1.8256066187016704
Energy: 1.685283828088887
Energy: 1.7407312143544311
Energy: 1.68528382808975
Energy: 1.8256066187012392
Energy: 1.6852838280893185
Energy: 1.8257493785264785
Energy: 1.7036943584015791
Energy: 1.7403261386721327
Energy: 1.703694358399854
Energy: 1.8257493785243224
Energy: 1.7036943584028728
Energy: 1.4224321827774093
Energy: 1.5190844652308328
Energy: 1.4224321827769781
Energy: 1.5190844652338513
Energy: 1.422432182780859
Energy: 1.519084465235537
Energy: 1.281396701895855
Energy: 1.486338114286551
Energy: 1.2769280497355449
Energy: 1.4863381142934504
Energy: 1.2768970813029625
Energy: 1.4863381142930192
Energy: 1.3934285846815246
Energy: 1.7170336975041178
Energy: 1.3934285846815246
Energy: 1.7170336944090596
Energy: 1.3934285846750565
Energy: 1.717033686628431
Energy: 1.6317161773667181
Energy: 1.3204700677805403
Energy: 1.6317161773253226
Energy: 1.320470067775797
Energy: 1.6317161772460205
Energy: 1.3204700677822652
Energy: 1.370302294263845
Energy: 1.7421068574408272
Energy: 1.370302294261728
Energy: 1.742095976130554
Energy: 1.3703022942651386
Energy: 1.7420918509585044
Energy: 1.6947224460186592
Energy: 1.7647661934629364
Energy: 1.6947224460225008
Energy: 1.7647661934667778
Energy: 1.6947224460268129
Energy: 1.7647661934663468
Energy: 1.4893458310236445
Energy: 1.6386958063455461
Energy: 1.4893458310240755
Energy: 1.6386958063533077
Energy: 1.489345831027094
Energy: 1.638695806358051
Energy: 1.4854444507435367
Energy: 1.4225713937535307
Energy: 1.4854444507508673
Energy: 1.4225713937599989
Energy: 1.4854444507517297
Energy: 1.4225713937578428
Energy: 1.613698997218941
Energy: 1.6758938430668302
Energy: 1.6136989973982039
Energy: 1.6758938430655368
Energy: 1.6136989971719395
Energy: 1.6758938430474655
Energy: 1.4228793561696291
Energy: 1.6125445350584342
Energy: 1.4228678223382896
Energy: 1.6125445350493788
Energy: 1.4228793561782531
Energy: 1.61254453504981
Energy: 1.4790864953680192
Energy: 1.4553239419223034
Energy: 1.479086495364138
Energy: 1.4553239419279091
Energy: 1.4790864953688814
Energy: 1.4553239419309274
Energy: 1.6757097713024511
Energy: 1.692874848320161
Energy: 1.6757097712994324
Energy: 1.692874848292564
Energy: 1.6757097712994324
Energy: 1.6928748482572054
Energy: 1.7499469339709683
Energy: 1.296457708383336
Energy: 1.7499469338864917
Energy: 1.2964577083880793
Energy: 1.7499469334843358
Energy: 1.2964577083880793
Energy: 1.424073825965952
Energy: 1.3646959457702474
Energy: 1.424073825965952
Energy: 1.364695945771541
Energy: 1.424073825971989
Energy: 1.364695945771541

minimum gb energy = 1.2750526072769401 eV
minimum distance =  2.36597257161478 Angstroms
sigma value = 51


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

Energy: 1.5897870130974763
Energy: 1.598127970955191
Energy: 1.5897870130984755
Energy: 1.598127970955191
Energy: 1.589787013096477
Energy: 1.59812797095619
Energy: 1.6688329680688516
Energy: 1.4321864560896722
Energy: 1.6688329680618579
Energy: 1.432186456096666
Energy: 1.6688329680628573
Energy: 1.4321864560896722
Energy: 1.4371037734830947
Energy: 1.5468199634193986
Energy: 1.4371037734780996
Energy: 1.5468199634193986
Energy: 1.4371037734820957
Energy: 1.5468199633944668
Energy: 1.5724336533405532
Energy: 1.321837615709985
Energy: 1.5724336533395538
Energy: 1.321837615709985
Energy: 1.5724336533385548
Energy: 1.321837615709985
Energy: 1.5767439956453864
Energy: 1.5520008236808365
Energy: 1.5767439956453864
Energy: 1.552000823673843
Energy: 1.5767439956443874
Energy: 1.5520008236798375
Energy: 1.5937562725868708
Energy: 1.5519985332374806
Energy: 1.5937562725878696
Energy: 1.5519985332394333
Energy: 1.5937562725878696
Energy: 1.5519985332404325
Energy: 1.443491014807602
Energy: 1.5522669145022108
Energy: 1.4434910148086009
Energy: 1.552266914505208
Energy: 1.443491014807602
Energy: 1.5522669145002126
Energy: 1.4431271487908341
Energy: 1.5525986211479172
Energy: 1.4431271487918331
Energy: 1.5525986211489162
Energy: 1.4431271487918331
Energy: 1.5525986211459188
Energy: 1.764621925088756
Energy: 1.3175799841621323
Energy: 1.7646219250897552
Energy: 1.3175799841621323
Energy: 1.7646219250907542
Energy: 1.3175799841621323
Energy: 1.3442542979348457
Energy: 1.7381559887783509
Energy: 1.3442542979358447
Energy: 1.7381559887773517
Energy: 1.3442542979358447
Energy: 1.7381559887763527
Energy: 1.6014536660146805
Energy: 1.32993177375406
Energy: 1.6014503569286727
Energy: 1.32993177375406
Energy: 1.6014311440497833
Energy: 1.32993177375406
Energy: 1.590152941345085
Energy: 1.5979986884330177
Energy: 1.5901529413470832
Energy: 1.5979986884320185
Energy: 1.5901529413480822
Energy: 1.5979986884320185
Energy: 1.6675755086984239
Energy: 1.4335299648244497
Energy: 1.6675754755133356
Energy: 1.4335299648244497
Energy: 1.667575398115144
Energy: 1.4335299648234507
Energy: 1.5369792823781556
Energy: 1.4641787806675008
Energy: 1.5369792823751582
Energy: 1.4641787806744946
Energy: 1.53697928237316
Energy: 1.4641787806685
Energy: 1.5692180886607399
Energy: 1.581639098783573
Energy: 1.5692180886617388
Energy: 1.581639098783573
Energy: 1.5692180886607399
Energy: 1.581639098783573
Energy: 1.5756877140262493
Energy: 1.552173207739144
Energy: 1.5756877140342418
Energy: 1.552173207738145
Energy: 1.57568771403624
Energy: 1.5521732077351478
Energy: 1.576944337549532
Energy: 1.6877951895741985
Energy: 1.5769443375475338
Energy: 1.6877951895702024
Energy: 1.5769443375475338
Energy: 1.6877951895731997
Energy: 1.5352502614743249
Energy: 1.5546496576865014
Energy: 1.5352502614733257
Energy: 1.5546496576865014
Energy: 1.5352502614763228
Energy: 1.5546496576865014

minimum gb energy = 1.3175799841621323 eV
minimum distance =  2.23385748732043 Angstroms
sigma value = 19


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

Energy: 1.286179092454838
Energy: 1.3025505271753166
Energy: 1.2861790924560235
Energy: 1.3025505271765019
Energy: 1.2861790924542456
Energy: 1.3025505271753166
Energy: 1.4197192176287812
Energy: 1.590222277920601
Energy: 1.4197192176287812
Energy: 1.5902222779200086
Energy: 1.41971921762404
Energy: 1.590222277920601
Energy: 1.2373651624286026
Energy: 1.5872894039036451
Energy: 1.2373651624291953
Energy: 1.587289403906608
Energy: 1.2373651624274173
Energy: 1.5872894039030523
Energy: 1.341855030143927
Energy: 1.237628636519489
Energy: 1.3418550301391858
Energy: 1.2376286365188967
Energy: 1.3418550301391858
Energy: 1.2376286365188967
Energy: 1.274345297749683
Energy: 1.2815998948909444
Energy: 1.2743452977484977
Energy: 1.2815998948909444
Energy: 1.2743452977490903
Energy: 1.281599894890352
Energy: 1.2743238414375957
Energy: 1.282028545054997
Energy: 1.2743238414375957
Energy: 1.282028545056775
Energy: 1.2743238414364102
Energy: 1.2820285450561821
Energy: 1.3418441515836534
Energy: 1.237611544617085
Energy: 1.341844151586024
Energy: 1.2376115446176776
Energy: 1.341844151584246
Energy: 1.237611544617085
Energy: 1.2373638292491873
Energy: 1.5872430497526866
Energy: 1.2373638292491873
Energy: 1.5872430497532792
Energy: 1.2373638292491873
Energy: 1.5872430497556496
Energy: 1.4196532130045714
Energy: 1.590317377061762
Energy: 1.4196532130045714
Energy: 1.590317377061762
Energy: 1.4196532130045714
Energy: 1.5903173770623547
Energy: 1.286179092454838
Energy: 1.3025505271759092
Energy: 1.2861790924554308
Energy: 1.302550527174724
Energy: 1.2861790924554308
Energy: 1.3025505271753166
Energy: 1.4197192176246325
Energy: 1.590222277920601
Energy: 1.4197192176270033
Energy: 1.590222277920601
Energy: 1.4197192176281883
Energy: 1.5902222779211936
Energy: 1.2373651624286026
Energy: 1.5872894039048302
Energy: 1.2373651624286026
Energy: 1.5872894039036451
Energy: 1.2373651624286026
Energy: 1.5872894039060157
Energy: 1.341855030140371
Energy: 1.237628636519489
Energy: 1.3418550301409637
Energy: 1.2376286365188967
Energy: 1.341855030140371
Energy: 1.2376286365188967
Energy: 1.274345297749683
Energy: 1.281599894891537
Energy: 1.2743452977490903
Energy: 1.2815998948927223
Energy: 1.2743452977490903
Energy: 1.2815998948909444
Energy: 1.2743238414375957
Energy: 1.2820285450532192
Energy: 1.2743238414375957
Energy: 1.2820285450544044
Energy: 1.2743238414375957
Energy: 1.2820285450544044
Energy: 1.3418441515824682
Energy: 1.237611544617085
Energy: 1.3418441515836534
Energy: 1.2376115446164921
Energy: 1.3418441515836534
Energy: 1.237611544617085
Energy: 1.2373638292491873
Energy: 1.5872430497532792
Energy: 1.2373638292497797
Energy: 1.587243049750316
Energy: 1.2373638292491873
Energy: 1.5872430497515013
Energy: 1.4196532130039787
Energy: 1.5903173770623547
Energy: 1.4196532130039787
Energy: 1.590317377061762
Energy: 1.4196532130045714
Energy: 1.5903173770623547
Energy: 1.286179092454838
Energy: 1.3025505271753166
Energy: 1.2861790924560235
Energy: 1.3025505271759092
Energy: 1.2861790924566159
Energy: 1.3025505271753166
Energy: 1.4197192176275957
Energy: 1.5902222779200086
Energy: 1.4197192176275957
Energy: 1.5902222779200086
Energy: 1.4197192176258178
Energy: 1.5902222779229715
Energy: 1.2373651624274173
Energy: 1.5872894039042378
Energy: 1.2373651624286026
Energy: 1.5872894039036451
Energy: 1.2373651624280102
Energy: 1.587289403906608
Energy: 1.3418550301427417
Energy: 1.237628636519489
Energy: 1.341855030137408
Energy: 1.237628636519489
Energy: 1.3418550301362226
Energy: 1.2376286365188967
Energy: 1.2743452977502756
Energy: 1.281599894893315
Energy: 1.274345297749683
Energy: 1.2815998948921299
Energy: 1.274345297749683
Energy: 1.2815998948921299
Energy: 1.2743238414375957
Energy: 1.2820285450544044
Energy: 1.274323841438188
Energy: 1.282028545056775
Energy: 1.2743238414375957
Energy: 1.282028545056775
Energy: 1.3418441515872093
Energy: 1.2376115446164921
Energy: 1.3418441515824682
Energy: 1.2376115446164921
Energy: 1.3418441515866164
Energy: 1.237611544617085
Energy: 1.2373638292491873
Energy: 1.5872430497520937
Energy: 1.2373638292491873
Energy: 1.5872430497509087
Energy: 1.2373638292497797
Energy: 1.5872430497526866
Energy: 1.419653213005164
Energy: 1.5903173770623547
Energy: 1.4196532130045714
Energy: 1.59031737706354
Energy: 1.419653213005164
Energy: 1.5903173770629473
Energy: 1.286179092454838
Energy: 1.3025505271753166
Energy: 1.286179092453653
Energy: 1.3025505271765019
Energy: 1.2861790924542456
Energy: 1.3025505271765019
Energy: 1.4197192176275957
Energy: 1.5902222779200086
Energy: 1.4197192176275957
Energy: 1.5902222779194157
Energy: 1.4197192176287812
Energy: 1.5902222779211936
Energy: 1.2373651624286026
Energy: 1.5872894039012744
Energy: 1.2373651624274173
Energy: 1.587289403905423
Energy: 1.2373651624286026
Energy: 1.587289403905423

minimum gb energy = 1.2373638292491873 eV
minimum distance =  2.26304524433943 Angstroms
sigma value = 27


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

Energy: 1.225019052574917
Energy: 1.2086098709582629
Energy: 1.2250190525778204
Energy: 1.2086098709582629
Energy: 1.2250190525763687
Energy: 1.2086098709597146
Energy: 1.4147194650502006
Energy: 1.2448736820324724
Energy: 1.4147194650545556
Energy: 1.2448736820353756
Energy: 1.4147194650531039
Energy: 1.2448736820339241
Energy: 1.2544654304280805
Energy: 1.35801811267598
Energy: 1.2544654304251772
Energy: 1.35801811267598
Energy: 1.2544654304237257
Energy: 1.35801811267598
Energy: 1.3558971274808684
Energy: 1.1770121450344297
Energy: 1.3558971274881264
Energy: 1.1770121450344297
Energy: 1.3558971274895781
Energy: 1.177012145032978
Energy: 1.5100418857967248
Energy: 1.1770345961098476
Energy: 1.5100418857967248
Energy: 1.177034596108396
Energy: 1.510041885799628
Energy: 1.177034596108396
Energy: 1.4558452130361217
Energy: 1.500078723153926
Energy: 1.4558452130404766
Energy: 1.5000787231568296
Energy: 1.455845213039025
Energy: 1.500078723153926
Energy: 1.36919204782425
Energy: 1.2489799554023675
Energy: 1.3691920478213468
Energy: 1.2489799554023675
Energy: 1.3691920478257018
Energy: 1.2489799554023675
Energy: 1.2246188012751005
Energy: 1.2088856368221743
Energy: 1.2246188012736487
Energy: 1.2088856368221743
Energy: 1.2246188012707453
Energy: 1.2088856368250773
Energy: 1.3837280764759272
Energy: 1.2540064071985175
Energy: 1.3837279796433242
Energy: 1.2540064073711974
Energy: 1.3837277716785479
Energy: 1.2540064069823211
Energy: 1.3404610084421522
Energy: 1.4501896412060438
Energy: 1.3404610084435709
Energy: 1.4501896412074955
Energy: 1.3404610084435709
Energy: 1.4501896412045923
Energy: 1.2544024304107249
Energy: 1.179167926112031
Energy: 1.4728210113231497
Energy: 1.179167926112031
Energy: 1.4728210113231497
Energy: 1.179167926112031
Energy: 1.457417002277835
Energy: 1.3845677464044055
Energy: 1.4574165858505657
Energy: 1.3845677464015023
Energy: 1.4574159687454527
Energy: 1.384567746398599

minimum gb energy = 1.177012145032978 eV
minimum distance =  2.2370852493202 Angstroms
sigma value = 9


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

Energy: 1.2674592462483016
Energy: 1.1179886761218227
Energy: 1.2674592462511567
Energy: 1.1179886761222306
Energy: 1.2674592462470777
Energy: 1.117988676121415
Energy: 1.1562553900652026
Energy: 1.1910454089923947
Energy: 1.156255390067242
Energy: 1.1224671439304732
Energy: 1.156255390064795
Energy: 1.1224671439296572
Energy: 1.0706350745260738
Energy: 1.1803010256540363
Energy: 1.0706350745248874
Energy: 1.1803010256466946
Energy: 1.0706350745281132
Energy: 1.180301025648326
Energy: 1.103394679273565
Energy: 1.0551680849454144
Energy: 1.10339467927071
Energy: 1.0551680849454144
Energy: 1.1033946792743807
Energy: 1.0551680849454144
Energy: 1.1490002216171764
Energy: 1.1182487033483959
Energy: 1.1490002216196236
Energy: 1.1182487033488038
Energy: 1.1490002216183997
Energy: 1.1182487033488038
Energy: 1.2068862777267015
Energy: 1.1942439741427704
Energy: 1.2068862777201756
Energy: 1.1942439741378759
Energy: 1.2068862777275176
Energy: 1.261649761128523
Energy: 1.1480335230478804
Energy: 1.1955783923485512
Energy: 1.1480335230519592
Energy: 1.19557839235263
Energy: 1.1480335230605243
Energy: 1.1955783923509984
Energy: 1.0417019812980763
Energy: 1.154561635386744
Energy: 1.0417019812972605
Energy: 1.154561635390415
Energy: 1.0417019812960369
Energy: 1.154561635387152
Energy: 1.1618438987442685
Energy: 1.1191762799560196
Energy: 1.161843898749571
Energy: 1.1191762799560196
Energy: 1.1618438987471238
Energy: 1.1191762799560196
Energy: 1.1424061982747717
Energy: 1.2661908450525925
Energy: 1.142406198275995
Energy: 1.266190845054632
Energy: 1.1424061982751794
Energy: 1.2661908450530004
Energy: 1.0996003185921746
Energy: 1.0628699124233272
Energy: 1.0996003185950298
Energy: 1.062869912424143
Energy: 1.099600318590951
Energy: 1.0628699124245509
Energy: 1.0965292588933184
Energy: 1.1857992363005612
Energy: 1.0965292588929105
Energy: 1.185799236294851
Energy: 1.096529258893726
Energy: 1.185799236288325
Energy: 1.1712535634704344
Energy: 1.1749513966785297
Energy: 1.1712535634272365
Energy: 1.174951396683832
Energy: 1.1712535634276444
Energy: 1.1749513966834242
Energy: 1.2594613501809147
Energy: 1.1043025618243965
Energy: 1.2594613501894802
Energy: 1.1043025618305147
Energy: 1.2594613501935592
Energy: 1.1043025618341855
Energy: 1.0732798464152111
Energy: 1.1414898610751507
Energy: 1.0732798464139874
Energy: 1.1414898610747426
Energy: 1.0732798464131716
Energy: 1.141489861074335
Energy: 1.0787690154623888
Energy: 1.1992885386371128
Energy: 1.0787690154640204
Energy: 1.1992885386415995
Energy: 1.078769015461573
Energy: 1.1992885386456782
Energy: 1.069560335867142
Energy: 1.0560197983442854
Energy: 1.0694592393501128
Energy: 1.0560197983475483
Energy: 1.0697114211374679
Energy: 1.0560197983495878
Energy: 1.0873104930674207
Energy: 1.1303589693477534
Energy: 1.0873104930747626
Energy: 1.1303589693481613
Energy: 1.0873104930694604
Energy: 1.1303589693481613
Energy: 1.0362181332772018
Energy: 1.3148170731191584
Energy: 1.036218133280465
Energy: 1.3148170702596047
Energy: 1.0362181332767937
Energy: 1.3148170447696101
Energy: 1.2653826303338955
Energy: 1.1449911873677199
Energy: 1.265382630332264
Energy: 1.1449911873681278
Energy: 1.265382630329001
Energy: 1.1449911873656804
Energy: 1.0361875148254978
Energy: 1.3146973322321684
Energy: 1.0361875148291686
Energy: 1.3146971317769036
Energy: 1.0361875148230504
Energy: 1.3146970812331569
Energy: 1.087251126388873
Energy: 1.1302880648725597
Energy: 1.087251126389281
Energy: 1.1302880648729676
Energy: 1.0872511263896887
Energy: 1.1302880648729676
Energy: 1.0699561213345117
Energy: 1.0558677373280887
Energy: 1.0697313614685695
Energy: 1.0558677373293124
Energy: 1.0701676498171082
Energy: 1.0558677373280887
Energy: 1.0786996300795757
Energy: 1.2468900625790444
Energy: 1.0786996300848781
Energy: 1.2468900625627295
Energy: 1.0786996300865095
Energy: 1.2468900625721104
Energy: 1.077905226787084
Energy: 1.14162666739526
Energy: 1.0779052267887155
Energy: 1.1416266674001545
Energy: 1.0779052267887155
Energy: 1.1416266673936284
Energy: 1.2593443297997458
Energy: 1.1804349079787124
Energy: 1.2593443297659286
Energy: 1.1804349079795282
Energy: 1.2593443297740492
Energy: 1.180434907980752
Energy: 1.1713789731832567
Energy: 1.1749876449040395
Energy: 1.1713789731824409
Energy: 1.1749876448966976
Energy: 1.1713789731542974
Energy: 1.1749876448950662
Energy: 1.0966953753260278
Energy: 1.1722450951333159
Energy: 1.0966953753301065
Energy: 1.1722450951325
Energy: 1.096695375328475
Energy: 1.1722450951316843
Energy: 1.0996025359454575
Energy: 1.062571607767346
Energy: 1.0996025359450496
Energy: 1.0625716077693854
Energy: 1.0996025359417865
Energy: 1.0625716077685694
Energy: 1.1424246187555451
Energy: 1.1222735861337676
Energy: 1.1424246187539138
Energy: 1.1222735861207156
Energy: 1.1424246187559532
Energy: 1.122273586128873
Energy: 1.161918883312241
Energy: 1.1192911814246096
Energy: 1.161918883308978
Energy: 1.1192911814250175
Energy: 1.1619188833073464
Energy: 1.1192911814250175
Energy: 1.041701772769622
Energy: 1.1546312131405827
Energy: 1.041701772772885
Energy: 1.1546312131409906
Energy: 1.0417017727732931
Energy: 1.1546312131409906
Energy: 1.1481628021992818
Energy: 1.1941101042866806
Energy: 1.1481628022054
Energy: 1.1941101042842335
Energy: 1.1481628022037687
Energy: 1.194110104279339
Energy: 1.2064661174357263
Energy: 1.1838914644706586
Energy: 1.2064661174357263
Energy: 1.1838914644837109
Energy: 1.2064661174238978
Energy: 1.1838914644784082
Energy: 1.1491995096432308
Energy: 1.1183310073035193
Energy: 1.1491995096415992
Energy: 1.118331007303927
Energy: 1.1491995096420071
Energy: 1.118331007303927
Energy: 1.1033524161534285
Energy: 1.0550985606229824
Energy: 1.1033524161513892
Energy: 1.0550985606229824
Energy: 1.103352416152205
Energy: 1.0550985606225747
Energy: 1.070852793539673
Energy: 1.18037983597756
Energy: 1.070852793536818
Energy: 1.1803798359791913
Energy: 1.070852793539673
Energy: 1.1803798359787836
Energy: 1.1564147458918297
Energy: 1.1139810934071404
Energy: 1.15641474589754
Energy: 1.1139810934071404
Energy: 1.1564147458938692
Energy: 1.1139810934075483
Energy: 1.267459246250749
Energy: 1.117988676114889
Energy: 1.2674592462536038
Energy: 1.1179886761152966
Energy: 1.2674592462515646
Energy: 1.1179886761157047
Energy: 1.1562553900716916
Energy: 1.1028467403846924
Energy: 1.156255390070468
Energy: 1.1028467403846924
Energy: 1.1562553900684287
Energy: 1.1028467403842845
Energy: 1.0706350745325999
Energy: 1.1803010256499575
Energy: 1.0706350745338236
Energy: 1.1803010256491417
Energy: 1.0706350745346394
Energy: 1.1803010256495496
Energy: 1.1033946792723415
Energy: 1.055168084950309
Energy: 1.10339467927071
Energy: 1.055168084949901
Energy: 1.1033946792731573
Energy: 1.055168084949493
Energy: 1.1490002216188078
Energy: 1.118248703344317
Energy: 1.1490002216192157
Energy: 1.1182487033439092
Energy: 1.149000221617992
Energy: 1.1182487033435013

minimum gb energy = 1.0361875148230504 eV
minimum distance =  2.34757994804147 Angstroms
sigma value = 57


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

Energy: 0.9104145815956798
Energy: 0.8448147200011497
Energy: 0.5911573073779034
Energy: 0.8448147200011497
Energy: 0.9104145815956798
Energy: 0.8448147200011497
Energy: 0.9242936443969069
Energy: 0.8360704060558385
Energy: 0.9242936443969069
Energy: 0.8360704060558385
Energy: 0.9242936443959786
Energy: 0.8360704060549099
Energy: 0.876741281732669
Energy: 1.0281974729285428
Energy: 0.8767412817354544
Energy: 1.0281974729266856
Energy: 0.876741281732669
Energy: 1.0281974729266856
Energy: 0.8466206236736329
Energy: 0.5903165286534866
Energy: 0.8466206236736329
Energy: 0.5903165286534866
Energy: 0.8466206236727043
Energy: 0.5903165286516298
Energy: 0.6664179807230534
Energy: 0.925447279417227
Energy: 0.6664179807202679
Energy: 0.9254472794162986
Energy: 0.6664179807221249
Energy: 0.9254472794181554
Energy: 0.5904060757127948
Energy: 0.8790336967300889
Energy: 0.5904060757165087
Energy: 0.8790336967300889
Energy: 0.5904060757127948
Energy: 0.879033696731946
Energy: 0.59054435348858
Energy: 0.6291106485729137
Energy: 0.5905443534876517
Energy: 0.6291106485729137
Energy: 0.59054435348858
Energy: 0.6291106485729137
Energy: 0.9217675867923857
Energy: 0.668277684507409
Energy: 0.9217675867896004
Energy: 0.668277684507409
Energy: 0.9217675867914572
Energy: 0.6682776845064806
Energy: 0.8464977494610143
Energy: 0.5903322343394486
Energy: 0.8464977494591573
Energy: 0.5903322343394486
Energy: 0.8464977494610143
Energy: 0.5903322343394486
Energy: 0.6265626778545106
Energy: 0.9949235128114118
Energy: 0.6265626778535821
Energy: 0.9949235128104833
Energy: 0.6265626778545106
Energy: 0.9949235128104833
Energy: 0.6663673428302619
Energy: 0.8352294272325081
Energy: 0.6663673428321187
Energy: 0.8352294272325081
Energy: 0.6663673428311904
Energy: 0.8352294272325081
Energy: 0.9104145815947514
Energy: 0.8448147199974355
Energy: 0.5911573073779034
Energy: 0.8448147199983641
Energy: 0.9104145815947514
Energy: 0.8448147200002212
Energy: 0.9242936443959786
Energy: 0.8360704060586239
Energy: 0.9242936443987639
Energy: 0.8360704060586239
Energy: 0.9242936443959786
Energy: 0.8360704060586239
Energy: 0.8767412817354544
Energy: 1.0281974729118724
Energy: 0.8767412817345258
Energy: 1.028197472915544
Energy: 0.8767412817354544
Energy: 1.0281974729248287
Energy: 0.846620623671776
Energy: 0.590316528658129
Energy: 0.846620623671776
Energy: 0.5903165286572006
Energy: 0.846620623671776
Energy: 0.5903165286553437
Energy: 0.6664179807174826
Energy: 0.9254472794181554
Energy: 0.666417980716554
Energy: 0.9254472794181554
Energy: 0.6664179807174826
Energy: 0.9254472794200124
Energy: 0.5904060757165087
Energy: 0.8790336967300889
Energy: 0.5904060757183657
Energy: 0.8790336967300889
Energy: 0.5904060757165087
Energy: 0.8790336967310174
Energy: 0.5905443534830093
Energy: 0.6291106485766277
Energy: 0.5905443534820808
Energy: 0.6291106485766277
Energy: 0.5905443534830093
Energy: 0.6291106485812701
Energy: 0.9217675867960996
Energy: 0.6682776845046237
Energy: 0.9217675867960996
Energy: 0.6682776845036952
Energy: 0.9217675867960996
Energy: 0.6682776845046237

minimum gb energy = 0.5903165286516298 eV
minimum distance =  2.41998517936178 Angstroms
sigma value = 11


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

Energy: 0.9190877679927442
Energy: 1.212947205660814
Energy: 0.9190877679934243
Energy: 1.2129472056614938
Energy: 0.9190877679934243
Energy: 1.2129472056614938
Energy: 1.027850448404337
Energy: 1.0130164478827437
Energy: 1.0278504484029767
Energy: 1.0130164478827437
Energy: 1.0278504484104583
Energy: 1.0130164478827437
Energy: 1.2845555086080793
Energy: 1.3113083482349686
Energy: 1.2324787475935208
Energy: 1.3113083482342887
Energy: 1.2324787475962413
Energy: 1.3113083482390495
Energy: 1.266119946131943
Energy: 0.8692224899217771
Energy: 1.266119946131943
Energy: 0.8692224899204167
Energy: 1.266119946131943
Energy: 0.8692224899217771
Energy: 1.1954707914045597
Energy: 0.8443047959782106
Energy: 1.1954707914038796
Energy: 0.8443047959775305
Energy: 1.1954707914052398
Energy: 0.8443047959782106
Energy: 0.8844374167024248
Energy: 0.858898017984661
Energy: 0.8844374167037848
Energy: 0.858898017983981
Energy: 0.8844374167017445
Energy: 0.8588980179819408
Energy: 0.8415667916298394
Energy: 0.8961827491375715
Energy: 0.8415667916291594
Energy: 0.8961827491409722
Energy: 0.841566791628479
Energy: 0.8961827491368914
Energy: 1.0489596484137937
Energy: 0.811033575964206
Energy: 1.0489596484110735
Energy: 0.8110335759648862
Energy: 1.0489596484151542
Energy: 0.8110335759648862
Energy: 1.051602841635108
Energy: 0.8168059654518126
Energy: 1.0516028416357879
Energy: 0.8168059654524927
Energy: 1.0516028416385086
Energy: 0.8168059654518126
Energy: 0.820617823583899
Energy: 1.2534166109796732
Energy: 0.820617823583219
Energy: 1.2534166109817138
Energy: 0.8206178235818586
Energy: 1.253416610976953
Energy: 0.8963535560741192
Energy: 1.174623083759171
Energy: 0.89635355607956
Energy: 1.1746230837557703
Energy: 0.8963535560775197
Energy: 1.1746230837564502
Energy: 1.0285455268840589
Energy: 0.8415640619112923
Energy: 1.0285455268820183
Energy: 0.8415640619132707
Energy: 1.0285455268888197
Energy: 0.8415640619126524
Energy: 1.2304421640114176
Energy: 0.8755333471008426
Energy: 1.230442164013458
Energy: 0.8755333471001623
Energy: 1.2304421640120977
Energy: 0.8755333470994823
Energy: 1.2400086412974247
Energy: 1.2878048970670868
Energy: 1.2400086412953844
Energy: 1.2878048970711675
Energy: 1.2400086412981048
Energy: 1.2878048970732079
Energy: 1.026935618437043
Energy: 1.0112093184125195
Energy: 1.026935618282036
Energy: 1.0112093184131998
Energy: 1.0269356184431644
Energy: 1.01120931841388
Energy: 0.8812189962365357
Energy: 1.2196666769995717
Energy: 0.8812189962351752
Energy: 1.2196666769982114
Energy: 0.8812189962358554
Energy: 1.2196666769975313
Energy: 0.9811681356156918
Energy: 1.0159561662366097
Energy: 0.9811681356190926
Energy: 1.0159561662372898
Energy: 0.9811681356163721
Energy: 1.0159561662366097
Energy: 1.2652126270909485
Energy: 0.9347630561506064
Energy: 1.2652126270909485
Energy: 0.9347630561485661
Energy: 1.2652126270923085
Energy: 0.9347630561492463
Energy: 1.0917463954390145
Energy: 0.8634338153588419
Energy: 1.0917463954430953
Energy: 0.863433815359522
Energy: 1.0917463954390145
Energy: 0.863433815359522
Energy: 1.1952618154330141
Energy: 0.8755192720799033
Energy: 1.1952618154350543
Energy: 0.8755192720792233
Energy: 1.1952618154316537
Energy: 0.8755192720792233
Energy: 0.82392423682723
Energy: 0.8738302472022781
Energy: 0.8239242368299505
Energy: 0.8738302472049368
Energy: 0.8239242368285902
Energy: 0.873830247205617
Energy: 0.8651158249069183
Energy: 0.8963745567716854
Energy: 0.8651158249069183
Energy: 0.8963745567730457
Energy: 0.8651158249041978
Energy: 0.8963745567723654
Energy: 1.0369311587244407
Energy: 1.0414728066572272
Energy: 1.0369311587244407
Energy: 1.0414728066579073
Energy: 1.036931158725121
Energy: 1.0414728066585872
Energy: 1.0532946079570409
Energy: 1.0203187183670615
Energy: 1.0532946079550007
Energy: 1.0203187183663813
Energy: 1.0532946079556809
Energy: 1.0203187183670615
Energy: 0.8239185401733312
Energy: 1.2537406624403429
Energy: 0.8239185401740113
Energy: 1.2537406605993628
Energy: 0.8239185401726512
Energy: 1.2537406607747736
Energy: 1.667360212069524
Energy: 1.15701383941027
Energy: 1.667360212068844
Energy: 1.1570138394075495
Energy: 1.667360212069524
Energy: 1.157013839404829

minimum gb energy = 0.811033575964206 eV
minimum distance =  2.29408323276215 Angstroms
sigma value = 41


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

Energy: 1.0355305494296345
Energy: 0.9379777846867796
Energy: 1.0355305494290985
Energy: 0.9379777846867796
Energy: 1.0355305494290985
Energy: 0.9379777846873157
Energy: 0.9715008224711905
Energy: 0.9200106200012301
Energy: 0.9715008224695825
Energy: 0.9200106200023023
Energy: 0.9715008224706544
Energy: 0.9200106200023023
Energy: 1.1609307174293366
Energy: 1.050027796552063
Energy: 1.1609307174304087
Energy: 1.0500277965547433
Energy: 1.1609307174282644
Energy: 1.0500277965547433
Energy: 0.9589957596787057
Energy: 0.9035704317726145
Energy: 0.9589957596787057
Energy: 0.9035704317726145
Energy: 0.9589957596787057
Energy: 0.9035704317726145
Energy: 0.9113832100565981
Energy: 0.9707095756481998
Energy: 0.9113832100565981
Energy: 0.9707095756471277
Energy: 0.9113832100560619
Energy: 0.9707095756476638
Energy: 0.9544026336969548
Energy: 0.9327639905193366
Energy: 0.954402633697491
Energy: 0.9327639905166563
Energy: 0.9544026336969548
Energy: 0.9327639905145122
Energy: 0.906901335668766
Energy: 0.970949104358284
Energy: 0.90690133566823
Energy: 0.9710843407216179
Energy: 0.90690133566823
Energy: 0.9710863473056727
Energy: 0.8757681248689646
Energy: 0.9035346368909344
Energy: 0.8757681248678925
Energy: 0.9035346368909344
Energy: 0.8757681248684286
Energy: 0.9035346368909344
Energy: 0.9234891168771294
Energy: 0.9668446984593678
Energy: 0.9234891168771294
Energy: 0.9668446984593678
Energy: 0.9234891168765934
Energy: 0.9668446984593678
Energy: 0.9536090265006673
Energy: 0.9761130781660835
Energy: 0.9536090265001312
Energy: 0.9761130781489297
Energy: 0.9536090265006673
Energy: 0.9761130781623311
Energy: 0.9609569505795154
Energy: 0.9896880809042186
Energy: 0.9609569505789793
Energy: 0.9896880809047546
Energy: 0.9609569505800515
Energy: 0.9896880809052907
Energy: 0.8700502386971153
Energy: 0.9067426031894151
Energy: 0.8700502386981874
Energy: 0.9067426031899511
Energy: 0.8700502386981874
Energy: 0.9067426031910233
Energy: 0.8735936631783413
Energy: 0.9034118303274958
Energy: 0.8735936631783413
Energy: 0.9034118303264237
Energy: 0.8735936631799496
Energy: 0.9034118303264237
Energy: 0.8646397421628512
Energy: 0.9780283873452077
Energy: 0.8646397421601709
Energy: 0.9780283873446717
Energy: 0.864639742161243
Energy: 0.9780283873468157
Energy: 0.9607638457188327
Energy: 0.9331760445567977
Energy: 0.9607638457177607
Energy: 0.93317604455787
Energy: 0.9607638457188327
Energy: 0.933176044558942
Energy: 0.8530501045269928
Energy: 0.9972156463540277
Energy: 0.8530501045275289
Energy: 1.1489655218062702
Energy: 0.8530501045269928
Energy: 1.148965521804662
Energy: 0.8849905088737685
Energy: 0.9037465890155022
Energy: 0.8849905088732325
Energy: 0.9037465890160383
Energy: 0.8849905088726964
Energy: 0.9037465890149663
Energy: 0.9121633608767706
Energy: 1.0513450873840504
Energy: 0.9121633608762344
Energy: 1.0513450873861945
Energy: 0.9121633608767706
Energy: 1.0513450873840504
Energy: 0.9716963419101079
Energy: 0.9200900691576371
Energy: 0.9716963419111799
Energy: 0.9200900691576371
Energy: 0.971696341911716
Energy: 0.9200900691603173
Energy: 0.9556574556227262
Energy: 1.254282746892543
Energy: 0.9556574556221901
Energy: 1.0779886110265957
Energy: 0.9556574556221901
Energy: 0.9074479266966045
Energy: 0.8873747284202728
Energy: 0.9208935156987759
Energy: 0.8873747284208089
Energy: 0.9208935157014561
Energy: 0.8873747284197367
Energy: 0.9208935157019921
Energy: 0.9256436188040695
Energy: 1.035447324026377
Energy: 0.925643618799245
Energy: 1.0354473240151199
Energy: 0.9256436188035335
Energy: 1.0354473240279851
Energy: 0.9589435158380858
Energy: 0.9111648430884511
Energy: 0.9589435158359417
Energy: 0.9111648430879153
Energy: 0.9589435158354057
Energy: 0.9111648430884511
Energy: 0.8525445730805363
Energy: 1.306542885528526
Energy: 0.8525445730810725
Energy: 1.306812070390325
Energy: 0.8525445730805363
Energy: 1.1439989469515868
Energy: 0.8528465429693509
Energy: 0.9327279560360212
Energy: 0.852846542968815
Energy: 0.9327279560419177
Energy: 0.852846542969887
Energy: 0.9327279560397735
Energy: 0.9036845140777614
Energy: 1.0692159563447408
Energy: 0.9036845140766894
Energy: 1.2503907291793788
Energy: 0.9036845140772254
Energy: 1.095546856229204
Energy: 0.8752451997797872
Energy: 0.911258152830429
Energy: 0.8752451997787151
Energy: 0.9112581528298929
Energy: 0.8752451997781789
Energy: 0.9112581528298929
Energy: 0.9221524714448769
Energy: 1.0628421113649875
Energy: 0.9221524714443408
Energy: 0.9760898996732084
Energy: 0.9221524714443408
Energy: 1.062842111359627
Energy: 0.9541510459337821
Energy: 0.9224988766207468
Energy: 0.9541510459343182
Energy: 0.9224988766228909
Energy: 0.9541510459343182
Energy: 0.9224988766228909
Energy: 1.0320903321485577
Energy: 0.90168105610079
Energy: 1.0320903321480217
Energy: 1.0838915049611082
Energy: 1.0320903321474857
Energy: 1.0838915049573556
Energy: 0.8703788200168155
Energy: 0.9068989747971808
Energy: 0.8703788200152075
Energy: 0.906898974797717
Energy: 0.8703788200152075
Energy: 0.9068989748030775
Energy: 0.9255052946691931
Energy: 0.9563358457941911
Energy: 0.9255052946708013
Energy: 0.956335845793655
Energy: 0.9255052946697292
Energy: 0.956335845793655
Energy: 0.8529218491654335
Energy: 1.244254990524053
Energy: 0.8529218491659695
Energy: 1.244254990524589
Energy: 0.8529218491659695
Energy: 1.244254990524589

minimum gb energy = 0.8525445730805363 eV
minimum distance =  2.29990731351558 Angstroms
sigma value = 33


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

Energy: 1.0570444245288195
Energy: 0.9695777322013717
Energy: 1.0570444245276909
Energy: 0.9695777322017478
Energy: 1.0570444245250572
Energy: 0.9695777322021241
Energy: 1.0773601794145615
Energy: 0.8913066654590043
Energy: 1.0773601794134329
Energy: 0.891306665458628
Energy: 1.0773601794126804
Energy: 0.891306665458628
Energy: 1.007967906598233
Energy: 1.0813325094390938
Energy: 1.0079679065974805
Energy: 1.0813325094387174
Energy: 1.0079679065974805
Energy: 1.0813325094375887
Energy: 0.9709588615713346
Energy: 0.9478562384883472
Energy: 0.9709588615660677
Energy: 0.9478562384883472
Energy: 0.9709588615690774
Energy: 0.947856238487971
Energy: 0.9804145258075475
Energy: 1.0006262495324105
Energy: 0.9804145258060425
Energy: 1.0006262495282723
Energy: 0.9804145258075475
Energy: 1.0006262495331628
Energy: 0.9980112030150546
Energy: 0.9674749702278731
Energy: 0.9980112030135498
Energy: 0.9674749702282494
Energy: 0.9980112030146785
Energy: 0.9674749702286256
Energy: 0.9563469019475926
Energy: 1.0387900817287483
Energy: 0.9563469019464641
Energy: 1.0387900817291247
Energy: 0.9563469019445832
Energy: 1.0387900817268674
Energy: 0.997581656632687
Energy: 0.9982420678988695
Energy: 0.9975816566356966
Energy: 0.9982420678943549
Energy: 0.997581656634568
Energy: 0.9982420678984932
Energy: 1.0967990373891265
Energy: 0.9999828185316524
Energy: 1.0967990373891265
Energy: 0.9999828185320286
Energy: 1.096799037390255
Energy: 0.9999828185320286
Energy: 1.0689695074199794
Energy: 0.9451153985556298
Energy: 1.0689695074158412
Energy: 0.9451153985563822
Energy: 1.068969507417346
Energy: 0.9451153985563822
Energy: 1.00362347005219
Energy: 0.9985220722915731
Energy: 1.0036234700514375
Energy: 0.9985220722927017
Energy: 1.0036234700514375
Energy: 0.9985220722919493
Energy: 0.9714886535499891
Energy: 0.9488000750258245
Energy: 0.9714886535526226
Energy: 0.9488000750258245
Energy: 0.971488653557479
Energy: 0.9488000750258245
Energy: 1.0005645234806615
Energy: 0.9811526355196868
Energy: 1.0005645234787803
Energy: 0.9811526355189343
Energy: 1.0005645234799092
Energy: 0.9811526355226964
Energy: 0.9975838540138735
Energy: 0.9971378778064295
Energy: 0.9975838540127447
Energy: 0.9971378778068056
Energy: 0.997583854014626
Energy: 0.9971378778068056
Energy: 1.0163093197047377
Energy: 0.9513421293158422
Energy: 1.016309319703609
Energy: 0.9513421293158422
Energy: 1.0163093197013517
Energy: 0.9513421293150898
Energy: 0.9449071818774765
Energy: 1.0789512778427466
Energy: 0.9449071818771001
Energy: 1.0789512778465087
Energy: 0.9449071818774765
Energy: 1.0789512778412418
Energy: 0.9891248215499225
Energy: 0.9237458127133681
Energy: 0.9891248215439031
Energy: 0.9237458127118635
Energy: 0.9891248215570704
Energy: 0.9237458127126157
Energy: 0.9404505172659597
Energy: 0.9729858663598652
Energy: 0.9404505172652073
Energy: 0.9729858663602413
Energy: 0.9404505172663359
Energy: 0.9729858663591128
Energy: 1.0872271486222589
Energy: 0.9692960811389737
Energy: 1.0872271486230112
Energy: 0.969296081137845
Energy: 1.0872271486230112
Energy: 0.9692960811404785
Energy: 0.9210179894062184
Energy: 0.9641388498490724
Energy: 0.9210179894250287
Energy: 0.9641388498460629
Energy: 0.9210179894152472
Energy: 0.9641388498475677
Energy: 0.9255142667320798
Energy: 1.0012365924173843
Energy: 0.9255142667324561
Energy: 1.0012365924173843
Energy: 0.9255142667324561
Energy: 1.0012365924170081
Energy: 0.9163413962257961
Energy: 1.045436256613591
Energy: 0.9163413962265485
Energy: 1.0454362566147195
Energy: 0.9163413962269248
Energy: 1.045436256615096
Energy: 1.0163005827251488
Energy: 0.9016293247963378
Energy: 1.0163005827232676
Energy: 0.9016293248001
Energy: 1.016300582729663
Energy: 0.9016293247997238
Energy: 0.9221607918823554
Energy: 1.0067512498884477
Energy: 0.9221607918857413
Energy: 1.0067512498892
Energy: 0.922160791881603
Energy: 1.0067512498895763
Energy: 0.9872531165050109
Energy: 0.9232199566803657
Energy: 0.987253116512535
Energy: 0.9232199566807419
Energy: 0.9872531165110302
Energy: 0.9232199566818703
Energy: 0.9599236871603241
Energy: 0.9974161692964189
Energy: 0.9599236871614527
Energy: 0.9974161692964189
Energy: 0.9599236871614527
Energy: 0.9974161692967951
Energy: 1.0455910288849886
Energy: 0.9629349533292909
Energy: 1.0455910288846124
Energy: 0.9629349533289147
Energy: 1.045591028885365
Energy: 0.9629349533289147
Energy: 1.0007211334699813
Energy: 0.9248296749771926
Energy: 1.0007211334677237
Energy: 0.924829674976064
Energy: 1.0007211334688526
Energy: 0.9248296749768165
Energy: 0.9641738007614054
Energy: 1.0072296391406679
Energy: 0.964173800760653
Energy: 1.0072296391417965
Energy: 0.964173800762534
Energy: 1.007229639138787
Energy: 0.9379929307793404
Energy: 1.0691760252582259
Energy: 0.9379929307789643
Energy: 1.069176025261201
Energy: 0.9379929307770832
Energy: 1.069176025261201
Energy: 0.9691955332001803
Energy: 0.9336843866840973
Energy: 0.9691955332001803
Energy: 0.9336843866848494
Energy: 0.9691955332001803
Energy: 0.9336843866852256
Energy: 0.9221775570860081
Energy: 1.0216657485691434
Energy: 0.9221775570882653
Energy: 1.0216657485714007
Energy: 0.9221775570875129
Energy: 1.0216657485729057
Energy: 0.9203905609231253
Energy: 0.945832785529111
Energy: 0.9203905609212785
Energy: 0.9458327855294871
Energy: 0.9203905609220309
Energy: 0.945832785529111
Energy: 1.0097205231483648
Energy: 1.0244601838790939
Energy: 1.0097205231513744
Energy: 1.0244601838790939
Energy: 1.0097205231509983
Energy: 1.0244601838790939
Energy: 1.0096812088179152
Energy: 1.0244481278324942
Energy: 1.009681208815658
Energy: 1.0244481278324942
Energy: 1.0096812088167866
Energy: 1.0244481278332467
Energy: 0.9204290395717599
Energy: 0.9458565579072374
Energy: 0.9204290395717599
Energy: 0.9458565579057324
Energy: 0.9204290395758983
Energy: 0.9458565579064849
Energy: 0.9221630918924545
Energy: 1.0209699479458132
Energy: 0.9221630918898209
Energy: 1.0209699479405463
Energy: 0.9221630918886924
Energy: 1.020969947958604
Energy: 0.9692377377856993
Energy: 0.9336655851245451
Energy: 0.969237737786828
Energy: 0.9336655851241689
Energy: 0.9692377377860756
Energy: 0.9336655851245451
Energy: 0.9379101296731055
Energy: 1.0692834225797936
Energy: 0.9379101296746104
Energy: 1.0692834225797936
Energy: 0.9379101296727292
Energy: 1.0692834225797936
Energy: 0.9642740743012215
Energy: 1.0069518848182928
Energy: 0.9642740743019738
Energy: 1.0069518848160357
Energy: 0.9642740742982118
Energy: 1.0069518848179164
Energy: 1.0007158508898157
Energy: 0.9249933323365587
Energy: 1.0007158508898157
Energy: 0.9249933323361825
Energy: 1.0007158508901919
Energy: 0.9249933323361825
Energy: 1.0455911333897834
Energy: 0.9630104298283791
Energy: 1.045591133389031
Energy: 0.9630104298283791
Energy: 1.0455911333905359
Energy: 0.9630104298295078
Energy: 0.9599117589346393
Energy: 0.9975610719450675
Energy: 0.959911758937273
Energy: 0.9975610719398004
Energy: 0.9599117589350156
Energy: 0.9975610719439387
Energy: 0.9876008198419712
Energy: 0.9231880180552503
Energy: 0.987600819841595
Energy: 0.9231880180548739
Energy: 0.9876008198419712
Energy: 0.9231880180560027
Energy: 0.9221403036016248
Energy: 1.0082449191024732
Energy: 0.9221403036050106
Energy: 1.0082449190994633
Energy: 0.9221403036046344
Energy: 1.0082449190994633
Energy: 1.0160934668251227
Energy: 0.9017226027674643
Energy: 1.0160934668277564
Energy: 0.9017226027674643
Energy: 1.0160934668251227
Energy: 0.9017226027682167
Energy: 0.9163358525150775
Energy: 1.0455947691460774
Energy: 0.9163358525158297
Energy: 1.0455947691464538
Energy: 0.9163358525154537
Energy: 1.045594769147206

minimum gb energy = 0.891306665458628 eV
minimum distance =  2.36316168738717 Angstroms
sigma value = 67


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

Energy: 1.1549550275019087
Energy: 1.0722938933452342
Energy: 1.1549550274943658
Energy: 1.0722938933447483
Energy: 1.1549550275019087
Energy: 1.0722938933447483
Energy: 1.0696985159624304
Energy: 0.9324179924832765
Energy: 1.0696985159641734
Energy: 0.9324179924822764
Energy: 1.0696985159639452
Energy: 0.9324179924815336
Energy: 0.9524805340856342
Energy: 1.2176076216111966
Energy: 0.952480534065291
Energy: 1.2176076216114537
Energy: 0.9524805340640339
Energy: 1.2176076216109395
Energy: 1.0696488984902304
Energy: 0.9325130453144793
Energy: 1.0696488984945165
Energy: 0.9325130453137079
Energy: 1.0696488984892305
Energy: 0.9325130453132222
Energy: 1.1549550275036802
Energy: 1.0722938933447483
Energy: 1.1549550274973945
Energy: 1.072293893344234
Energy: 1.1549550274986515
Energy: 1.0722938933452342
Energy: 1.0696985159626877
Energy: 0.9324179924812764
Energy: 1.0696985159646877
Energy: 0.9324179924837908
Energy: 1.069698515958659
Energy: 0.9324179924840479
Energy: 0.9524805341027202
Energy: 1.2176076216104537
Energy: 0.9524805339863756
Energy: 1.2176076216109395
Energy: 0.9524805340077186
Energy: 1.217607621610711

minimum gb energy = 0.9324179924812764 eV
minimum distance =  2.3679678743908 Angstroms
sigma value = 3


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

Energy: 1.4018625721444935
Energy: 1.2913401947431877
Energy: 1.3129159310003133
Energy: 1.2913401947476046
Energy: 1.4018625721472306
Energy: 1.2913401947466092
Energy: 1.2907909872438876
Energy: 1.1204525575232236
Energy: 1.290790987240466
Energy: 1.120452557523908
Energy: 1.290790987238724
Energy: 1.120452557526272
Energy: 1.259500318269424
Energy: 1.3284447118205318
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Energy: 1.2217551781749743
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Energy: 1.1803294835747844
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Energy: 1.1785255786289088
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Energy: 1.1785240755828816
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Energy: 1.163405068387883
Energy: 1.1642462431756975
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Energy: 1.2401904373245665
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Energy: 1.240190437329668
Energy: 1.1716009458320642
Energy: 1.2401904373314097
Energy: 1.3516467342358405
Energy: 1.0928377061893637
Energy: 1.351646734239262
Energy: 1.092837706194465
Energy: 1.3516467342310503
Energy: 1.092837706194465
Energy: 1.3143234481219774
Energy: 1.1216841721694477
Energy: 1.3143312104377456
Energy: 1.1216841721581254
Energy: 1.3143207432611557
Energy: 1.12168417215881
Energy: 1.1619395302357542
Energy: 1.2027715610858134
Energy: 1.1615631921810083
Energy: 1.2027539994550405
Energy: 1.1592584734802907
Energy: 1.2027685303325066
Energy: 1.1971584084565206
Energy: 1.1481941125793762
Energy: 1.1971584084534101
Energy: 1.1313572215997807
Energy: 1.1971584084547788
Energy: 1.1319839394841869
Energy: 1.275408606709606
Energy: 1.1299872011835441
Energy: 1.2754086067126544
Energy: 1.1299872009852179
Energy: 1.2754086067102903
Energy: 1.129987201287871
Energy: 1.1626130587929149
Energy: 1.1299441037978386
Energy: 1.1621705661644341
Energy: 1.129944103794417
Energy: 1.1620757481402069
Energy: 1.1299441037927374

minimum gb energy = 1.0424946514608133 eV
minimum distance =  2.26416308094219 Angstroms
sigma value = 81


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

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Energy: 1.1926288227760118
Energy: 1.2201591146506667
Energy: 1.1926288227760118
Energy: 1.2201591146520754
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Energy: 1.2821464174272412
Energy: 1.1270203998158153
Energy: 0.9796787248068953
Energy: 1.2021400430061524
Energy: 0.9796787248078346
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Energy: 1.0641808603182652
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Energy: 1.2004984702980734
Energy: 1.0641808603187348
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Energy: 1.1634369577307573
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Energy: 1.16343695772747
Energy: 1.149378373776019
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Energy: 1.2827823467074164
Energy: 1.0838611110836647
Energy: 1.2827823467036596
Energy: 1.083861111083195
Energy: 1.282782346705538
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Energy: 1.260413919155786
Energy: 1.2801389194636386
Energy: 1.2604139192050945
Energy: 1.2801389194622297
Energy: 1.2604139190835095
Energy: 1.2801389194650474
Energy: 1.1486461877315008
Energy: 1.152406399931653
Energy: 1.1486461877347882
Energy: 1.152406399931653
Energy: 1.148646187726805
Energy: 1.1524063999349399
Energy: 1.0648263654434806
Energy: 1.0630893622635917
Energy: 1.0648263654448893
Energy: 1.063089362264531
Energy: 1.0648263654439505
Energy: 1.0630893622640611
Energy: 1.0600671957387868
Energy: 1.0661216188627176
Energy: 1.060067195739726
Energy: 1.0661216188627176
Energy: 1.0600671957387868
Energy: 1.066121618862248
Energy: 1.178478252415355
Energy: 1.4778161241083239
Energy: 1.1784894690213616
Energy: 1.4778161241087935
Energy: 0.9743134405343523
Energy: 1.4778161241083239
Energy: 1.0838505864450538
Energy: 1.0197616737099984
Energy: 1.084110994769039
Energy: 1.020382293988072
Energy: 1.0841821170179984
Energy: 1.0484240112155208
Energy: 1.1495907089864588
Energy: 1.1630818077520766
Energy: 1.1495907089878674
Energy: 1.1630818077567728
Energy: 1.14959070898458
Energy: 1.163081807758651
Energy: 1.0667946486206565
Energy: 1.0618100181673154
Energy: 1.0667946486197173
Energy: 1.061810018166846
Energy: 1.0667946486197173
Energy: 1.0618100181673154

minimum gb energy = 0.9742520558431486 eV
minimum distance =  2.38259263046169 Angstroms
sigma value = 43


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

Energy: 1.2981292574265955
Energy: 1.228738089661819
Energy: 1.2981292574242882
Energy: 1.228738089661819
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Energy: 1.0647152968034046
Energy: 1.1194315486522282
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Energy: 1.1219722462584913
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Energy: 1.1158820506255507
Energy: 1.3868732456608925
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Energy: 1.3095352033272163
Energy: 1.1710997265214924
Energy: 1.3095352033266396
Energy: 1.1710997265214924
Energy: 1.309535203325486
Energy: 1.1710997265220695
Energy: 1.1243977579033495
Energy: 1.1631618091812774
Energy: 1.1245808608486452
Energy: 1.1631618091812774
Energy: 1.1244555920772283
Energy: 1.163161809181854
Energy: 1.1156773622589624
Energy: 1.13659257689949
Energy: 1.1157209635937058
Energy: 1.13659257689949
Energy: 1.115706453214747
Energy: 1.136592576898913
Energy: 1.2272032931017678
Energy: 1.041650217397438
Energy: 1.2272032931017678
Energy: 1.0415544881303884
Energy: 1.2272032931000374
Energy: 1.0416379922915324
Energy: 1.0441941750700479
Energy: 1.1833958505319948
Energy: 1.0441941750688943
Energy: 1.1833958505319948
Energy: 1.0441941750688943
Energy: 1.1833958505314182
Energy: 1.212891852168185
Energy: 1.1730264841613136
Energy: 1.2128538483241693
Energy: 1.1730264841618905
Energy: 1.2127976290223372
Energy: 1.1730264841613136
Energy: 1.1510712736009068
Energy: 1.1615743633263822
Energy: 1.1510712736009068
Energy: 1.161574363327536
Energy: 1.1510712736020605
Energy: 1.1615743633292666
Energy: 1.2269728983617558
Energy: 1.2221938253911373
Energy: 1.226972898361179
Energy: 1.2221938253997895
Energy: 1.2269728983617558
Energy: 1.2221938253928677
Energy: 1.096639346402759
Energy: 1.0868388390389019
Energy: 1.0966393464523398
Energy: 1.0868388390383252
Energy: 1.0966393457800758
Energy: 1.0868388390389019
Energy: 1.1431475565175184
Energy: 1.064328072870531
Energy: 1.143053286053198
Energy: 1.0643280728699542
Energy: 1.1434241720778195
Energy: 1.0643280728693776
Energy: 1.150959924458196
Energy: 1.070675518851415
Energy: 1.150959924458773
Energy: 1.0712888653667758
Energy: 1.150959924458196
Energy: 1.0711829209410648
Energy: 1.251141279787736
Energy: 1.2774013953850343
Energy: 1.2511412797871593
Energy: 1.2774013953844574
Energy: 1.2511412797883128
Energy: 1.2774013953850343
Energy: 1.110890905908079
Energy: 1.1711501158630169
Energy: 1.1108122581348006
Energy: 1.1711501158630169
Energy: 1.1108206422920717
Energy: 1.17115011586244

minimum gb energy = 1.0415544881303884 eV
minimum distance =  2.36684746122875 Angstroms
sigma value = 57


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

Energy: 1.2667536361562053
Energy: 1.1637342051159412
Energy: 1.266753636153218
Energy: 1.163734205116688
Energy: 1.2667536361539646
Energy: 1.1637342051159412
Energy: 1.180403130361381
Energy: 1.0296838143208609
Energy: 1.1804031303636215
Energy: 1.029683814320114
Energy: 1.1804031303628746
Energy: 1.029683814320114
Energy: 1.2517548834765504
Energy: 1.346169546798446
Energy: 1.2517548834817787
Energy: 1.346169546797699
Energy: 1.2517548833854668
Energy: 1.346169546798446
Energy: 1.1870386191600393
Energy: 1.0324473888516434
Energy: 1.1870386191555582
Energy: 1.0168466974301258
Energy: 1.1870386191585456
Energy: 1.0169166348445131
Energy: 1.1464983925966965
Energy: 1.0345451682085867
Energy: 1.1464983925974435
Energy: 1.0163632372801215
Energy: 1.1464983925974435
Energy: 1.0166397771337836
Energy: 1.009300648425254
Energy: 1.074575341626
Energy: 1.0095367712969388
Energy: 1.074575341626747
Energy: 1.0100053638249866
Energy: 1.074575341625253
Energy: 1.2104214182847672
Energy: 1.2243914741729118
Energy: 1.2104214182832735
Energy: 1.224391474133362
Energy: 1.2104214182847672
Energy: 1.2243914741841149
Energy: 1.1872768933570423
Energy: 1.1728850014766519
Energy: 1.1872768933570423
Energy: 1.1728850014773988
Energy: 1.18727689336003
Energy: 1.1728850014766519
Energy: 1.1705936120102056
Energy: 1.028202040852521
Energy: 1.1705936120116993
Energy: 1.0282020408547614
Energy: 1.1705936120094587
Energy: 1.028202040852521
Energy: 0.9550274844072085
Energy: 1.215159201628844
Energy: 0.9550274844027274
Energy: 1.215159201628844
Energy: 0.9550274844072085
Energy: 1.215159201628844
Energy: 1.2100940907737932
Energy: 1.0307722052061086
Energy: 1.2100940907745399
Energy: 1.016822910276439
Energy: 1.2100940907745399
Energy: 1.0166759798599694
Energy: 1.3397462556498891
Energy: 1.1027182729689349
Energy: 1.3397462556476483
Energy: 1.0539567244285406
Energy: 1.3397462556483952
Energy: 1.106852378488014
Energy: 0.9400916848540158
Energy: 1.0275705017038035
Energy: 0.9415861083871494
Energy: 1.0275705017097783
Energy: 0.9419148350687382
Energy: 1.0275705017038035
Energy: 1.2152628373011927
Energy: 1.0279053668992393
Energy: 1.2152628374236107
Energy: 1.027905366902227
Energy: 1.2152628373661363
Energy: 1.0279053669081677
Energy: 1.0762645343355166
Energy: 1.0269072365056204
Energy: 1.0762645343347699
Energy: 1.0269072365048735
Energy: 1.0762645343355166
Energy: 1.0269072365048735
Energy: 1.3385952959507093
Energy: 1.2156053180483208
Energy: 1.3385952959507093
Energy: 1.2156053180475739
Energy: 1.3385952959507093
Energy: 1.2156053180475739
Energy: 0.9567154137441131
Energy: 1.1785457872245912
Energy: 0.9567154137433661
Energy: 1.1785457872238443
Energy: 0.9567154137441131
Energy: 1.1785457872223506
Energy: 1.2087704576963842
Energy: 0.9533361722257873
Energy: 1.2087704576956375
Energy: 0.9533361722220529
Energy: 1.2087704576933969
Energy: 0.9533361722205592
Energy: 0.9553459653108575
Energy: 1.1784627970439943
Energy: 0.9553459653123513
Energy: 1.1784627970439943
Energy: 0.9553459653108575
Energy: 1.1784627970439943
Energy: 1.338527015606816
Energy: 1.2154874497923398
Energy: 1.3385270156053224
Energy: 1.215487449791593
Energy: 1.338527015606816
Energy: 1.215487449791593
Energy: 1.0763222297921358
Energy: 1.026630962565164
Energy: 1.076322229790642
Energy: 1.026630962559936
Energy: 1.076322229791389
Energy: 1.0266309625644172
Energy: 1.2153680134430276
Energy: 1.210901829129702
Energy: 1.2153680134214024
Energy: 1.210901829129702
Energy: 1.2153680134437745
Energy: 1.2109018291289553
Energy: 0.959889182752506
Energy: 1.028066878382009
Energy: 0.9416423605335967
Energy: 1.0280668783805154
Energy: 0.9418340331639253
Energy: 1.0280668783805154
Energy: 1.33989124150262
Energy: 1.1006087547853078
Energy: 1.3398912415011266
Energy: 1.0557328180326877
Energy: 1.339891241501873
Energy: 1.056382155286312

minimum gb energy = 0.9400916848540158 eV
minimum distance =  2.41630490750196 Angstroms
sigma value = 17


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

Energy: 1.077485940464231
Energy: 1.171645436508553
Energy: 1.077485940464231
Energy: 1.171645436508553
Energy: 1.0774859404631747
Energy: 1.171645436508553
Energy: 1.041037928579114
Energy: 1.0209860367214605
Energy: 1.041037928579114
Energy: 1.020986036724629
Energy: 1.041037928579114
Energy: 1.020986036724629
Energy: 1.15419024091725
Energy: 1.2362394722064751
Energy: 1.1541902409151377
Energy: 1.2362394722064751
Energy: 1.1541902409014066
Energy: 1.2362394722085635
Energy: 0.9308075251821692
Energy: 1.0154241256493413
Energy: 0.9308075251821692
Energy: 1.015283765286172
Energy: 0.9308075251832256
Energy: 1.0158124479708612
Energy: 0.9675795479760797
Energy: 1.098871971882701
Energy: 0.9678502106842741
Energy: 1.0996076483834407
Energy: 0.9680151062264819
Energy: 1.099063360744827
Energy: 0.9232703247325351
Energy: 1.2285962449383845
Energy: 0.9119830634872781
Energy: 1.2285962449383845
Energy: 0.9228514151009455
Energy: 1.2285962449383845
Energy: 1.1144925064645597
Energy: 1.062786278606607
Energy: 1.1144925064635034
Energy: 1.062786278606607
Energy: 1.1144925064645597
Energy: 1.062786278606607
Energy: 0.9307287584328029
Energy: 1.1296551636524526
Energy: 0.9307287584317465
Energy: 1.1296551636503402
Energy: 0.9307287584306905
Energy: 1.129655163648228
Energy: 0.9211926346158156
Energy: 1.1025225003888846
Energy: 0.9212620670663862
Energy: 1.1025225003888846
Energy: 0.918112457667898
Energy: 1.1025225003888846
Energy: 1.096528036734084
Energy: 1.0183217380385305
Energy: 1.0965280367361965
Energy: 1.0183217380395868
Energy: 1.0965280367361965
Energy: 1.0183217380385305
Energy: 1.0779204627694476
Energy: 1.0141767730955702
Energy: 1.0779204627683916
Energy: 1.0141767730966265
Energy: 1.0779204627683916
Energy: 1.0141767730955702
Energy: 1.0525387769304844
Energy: 1.0189291979104433
Energy: 1.0525387769336534
Energy: 1.0189291979104433
Energy: 1.0525387769294283
Energy: 1.0189291979093873
Energy: 0.9100963930275722
Energy: 1.1267173730442477
Energy: 0.9100963930265159
Energy: 1.1267173730442477
Energy: 0.9100963930254597
Energy: 1.1267173730442477
Energy: 1.0949228768813202
Energy: 1.0488557807515244
Energy: 1.094922876880264
Energy: 0.8709745465969825
Energy: 1.094922876880264
Energy: 0.8710736978779174
Energy: 1.1558157729751906
Energy: 1.1552997098377653
Energy: 1.0215414217976726
Energy: 1.1552997098345965
Energy: 1.0217781117378832
Energy: 1.1552997098335402
Energy: 0.9143321530152663
Energy: 1.125225101680586
Energy: 0.9133409045984241
Energy: 1.1252251016795298
Energy: 0.9136701875536279
Energy: 1.125225101680586
Energy: 1.0939964011955636
Energy: 1.161493809507551
Energy: 1.0939964011966197
Energy: 1.1614938095054388
Energy: 1.0939964011966197
Energy: 1.1614938095043825

minimum gb energy = 0.8709745465969825 eV
minimum distance =  2.30952276926716 Angstroms
sigma value = 17


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

Energy: 0.9745736266506712
Energy: 1.0273276221588215
Energy: 0.9745736266531183
Energy: 1.0273276221588215
Energy: 0.9745736266470002
Energy: 1.0273276221588215
Energy: 0.9793034550655731
Energy: 1.0407324098186066
Energy: 0.9793034550684282
Energy: 1.0886108803642283
Energy: 0.9793034550647574
Energy: 1.0407324098157515
Energy: 1.0430198519427516
Energy: 1.0838066031663005
Energy: 1.0430197175986862
Energy: 1.0838066031654847
Energy: 1.0430187444168062
Energy: 1.0838066031667084
Energy: 0.8897054284453647
Energy: 1.1210403024919213
Energy: 0.8897054284453647
Energy: 1.1210450091142987
Energy: 0.889705428444141
Energy: 1.121040302502081
Energy: 0.9929023852005969
Energy: 0.9864293567699365
Energy: 0.9929023852641886
Energy: 0.9864293567699365
Energy: 0.9929023851944787
Energy: 0.9864293567703443
Energy: 0.8457051361115034
Energy: 1.0790355383315748
Energy: 0.8459173034234609
Energy: 1.0790355383332064
Energy: 0.8459997117418883
Energy: 1.0790355383323906
Energy: 0.9807845210172381
Energy: 1.0663555532828073
Energy: 0.980784521018054
Energy: 1.0663555532913727
Energy: 0.9807845210176461
Energy: 1.0663555532909648
Energy: 1.0528901643142485
Energy: 1.0528447431523458
Energy: 1.0528901643118012
Energy: 1.0528447431519379
Energy: 1.052890164305683
Energy: 1.0528447431527537
Energy: 1.087417601594865
Energy: 1.0728695695962271
Energy: 1.0874176015956807
Energy: 1.0728695695986743
Energy: 1.0874176015936412
Energy: 1.072869569597043
Energy: 0.9713677866946892
Energy: 0.9577698970159737
Energy: 0.9713677866975442
Energy: 0.957769897015158
Energy: 0.9713677866967285
Energy: 0.9577698970163817
Energy: 0.8896339339999122
Energy: 1.0270735413086434
Energy: 0.8896339339986887
Energy: 1.0270735412980756
Energy: 0.8896339339982807
Energy: 1.027073541293589
Energy: 1.1802148379152149
Energy: 0.9578580628275665
Energy: 1.1802148379135833
Energy: 0.9578580628238956
Energy: 1.1802148379156225
Energy: 0.9578580628243034
Energy: 1.0527764332808922
Energy: 0.9744538890226578
Energy: 1.0527764332833396
Energy: 0.9744538890230655
Energy: 1.0527764332829317
Energy: 0.9744538890189868
Energy: 1.051609647221161
Energy: 1.0354231387347175
Energy: 1.0516096472191214
Energy: 1.0354231387326782
Energy: 1.0516096472203451
Energy: 1.0354231387322703
Energy: 0.988345834381053
Energy: 0.957755327970298
Energy: 0.9883458339492963
Energy: 0.957755327970298
Energy: 0.9883458321639803
Energy: 0.957755327970298
Energy: 0.9760601225652865
Energy: 1.0407488852133517
Energy: 0.9760601225652865
Energy: 1.0407488852141675
Energy: 0.9760601225632471
Energy: 1.040748885214983
Energy: 1.0532978695979194
Energy: 1.1209470583610024
Energy: 1.0532978696015904
Energy: 1.1209470583601868
Energy: 1.0532978695979194
Energy: 1.1209470583601868
Energy: 1.1245823955943812
Energy: 1.0761937419735983
Energy: 1.1245823862581439
Energy: 1.0761937419748218
Energy: 1.1245823525722256
Energy: 1.0761937419760454
Energy: 1.0932662035676524
Energy: 1.0413451906836115
Energy: 1.0932662035709153
Energy: 1.0413451906758622
Energy: 1.0932662035766256
Energy: 1.0413451906770856
Energy: 1.0527625600206374
Energy: 0.9498901232761628
Energy: 1.0527625600210453
Energy: 0.9498901232745313
Energy: 1.0527625600210453
Energy: 0.9498901232757548
Energy: 1.0933818523209924
Energy: 1.0419764439189838
Energy: 1.093381852305901
Energy: 1.041976443918576
Energy: 1.0933818522993748
Energy: 1.0419764439181682
Energy: 1.125143146779241
Energy: 1.0764821786404988
Energy: 1.1251431421482394
Energy: 1.0764821786417225
Energy: 1.1251431208477376
Energy: 1.0764821786425383
Energy: 1.0535278446036989
Energy: 1.1208705470726767
Energy: 1.0535278446069618
Energy: 1.1208705470730846
Energy: 1.0535278446049223
Energy: 1.1208705470730846
Energy: 0.9762510604707123
Energy: 1.0856489981159165
Energy: 0.9762510604686729
Energy: 1.0856489981122457
Energy: 0.9762510604735675
Energy: 1.0856489981069433
Energy: 0.9883378710581027
Energy: 0.9570803693816943
Energy: 0.9883378706927929
Energy: 0.9570803693804706
Energy: 0.9883378707792259
Energy: 0.9570803693804706
Energy: 0.9774254543135408
Energy: 1.0280909177690356
Energy: 0.9774254543135408
Energy: 1.0280909177686277
Energy: 0.9774254543123171
Energy: 1.028090917767812
Energy: 1.0526989947686687
Energy: 0.9749162071723194
Energy: 1.0526989947694845
Energy: 0.9749162071723194
Energy: 1.0526989947662215
Energy: 0.9749162071731351
Energy: 1.1802063050459795
Energy: 0.9578632828805449
Energy: 1.1802063050500582
Energy: 0.9578632828797292
Energy: 1.1802063050451637
Energy: 0.957863282880137
Energy: 0.8894193112979643
Energy: 1.0272110905022354
Energy: 0.8894193112979643
Energy: 1.0272110904932992
Energy: 0.8894193112979643
Energy: 1.027211090489628
Energy: 0.9714038914543287
Energy: 0.9577790141032857
Energy: 0.9714038914539209
Energy: 0.957779014102878
Energy: 0.9714038914547367
Energy: 0.9577790141041016
Energy: 1.0870782879554448
Energy: 1.0731809403095007
Energy: 1.087078287954629
Energy: 1.0731809403095007
Energy: 1.0870782879566685
Energy: 1.073180940309093
Energy: 1.052823082966653
Energy: 1.0528710155131282
Energy: 1.0528230829752183
Energy: 1.0528710155037468
Energy: 1.0528230829707317
Energy: 1.05287101550701
Energy: 0.980978643296284
Energy: 1.06634284293397
Energy: 0.9809786432950605
Energy: 1.0663428429327466
Energy: 0.9809786432942447
Energy: 1.0663428429262205
Energy: 0.8461470840441906
Energy: 0.992369036172528
Energy: 0.8464589357362351
Energy: 0.992369036172528
Energy: 0.8464815582696602
Energy: 0.992369036172528
Energy: 0.9941792193555157
Energy: 0.9863436713588141
Energy: 0.9941792193526606
Energy: 0.9863436713579983
Energy: 0.9941792193473582
Energy: 0.9863436713584061
Energy: 0.8900220281372698
Energy: 1.1328384317639748
Energy: 0.8900220281393092
Energy: 1.1328384317623434
Energy: 0.8900220281376776
Energy: 1.132838431759896
Energy: 1.0430533542490525
Energy: 1.083833318395245
Energy: 1.043053036170986
Energy: 1.083833318396469
Energy: 1.0430516635630642
Energy: 1.0838333183956532
Energy: 0.9793289882437544
Energy: 0.9888425548422974
Energy: 0.9793289882437544
Energy: 0.9888425548427052
Energy: 0.9793289882449779
Energy: 0.9888425548427052
Energy: 0.9745736266555657
Energy: 1.0273276221555585
Energy: 0.9745736266567894
Energy: 1.0273276221551504
Energy: 0.974573626651487
Energy: 1.0273276221555585
Energy: 0.9793034550623101
Energy: 1.0088132462292705
Energy: 0.9793034550623101
Energy: 1.008813246230086
Energy: 0.9793034550619021
Energy: 1.0088132462296784
Energy: 1.0430197975988864
Energy: 1.0838066031634455
Energy: 1.0430194180500032
Energy: 1.0838066031642613
Energy: 1.043018673688473
Energy: 1.0838066031638531
Energy: 0.8897054284449568
Energy: 1.1102686725437823
Energy: 0.8897054284445488
Energy: 1.1102686725470452
Energy: 0.8897054284445488
Energy: 1.1102686725470452
Energy: 0.9929023852014126
Energy: 0.9864293567785017
Energy: 0.9929023852038598
Energy: 0.9864293567785017
Energy: 0.9929023852054915
Energy: 0.986429356778094

minimum gb energy = 0.8457051361115034 eV
minimum distance =  2.33606824353363 Angstroms
sigma value = 57


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

Energy: 0.9630841866649462
Energy: 0.9396804760416274
Energy: 0.9630841866656104
Energy: 0.9396804760429556
Energy: 0.9630841866642821
Energy: 0.9396804760416274
Energy: 0.93126780585119
Energy: 0.9267637406349262
Energy: 0.9312678058518541
Energy: 0.9267637406362543
Energy: 0.931267805856503
Energy: 0.9267637406349262
Energy: 0.966259099436587
Energy: 0.9989552700152637
Energy: 0.8993967679887426
Energy: 0.9989552700145994
Energy: 0.8995312307024815
Energy: 0.9989552700139354
Energy: 0.9477844401404961
Energy: 1.0410645363582833
Energy: 0.9477844401418244
Energy: 1.041064536356955
Energy: 0.9477844401398321
Energy: 1.041064536356955
Energy: 0.9324575423732766
Energy: 0.8734778939890093
Energy: 0.9324575423719483
Energy: 0.8734778939903376
Energy: 0.9324575423719483
Energy: 0.8734778939890093
Energy: 0.9865999949440586
Energy: 0.928769838401568
Energy: 0.9865999949473792
Energy: 0.928769838400904
Energy: 0.986599994951364
Energy: 0.928769838400904
Energy: 1.0148587779546667
Energy: 1.0100849861063679
Energy: 1.014858777955995
Energy: 1.010084986107696
Energy: 1.0148587779579872
Energy: 1.0100849861063679
Energy: 0.9533418746411955
Energy: 0.9842315428717241
Energy: 0.9533418746359429
Energy: 0.9842308398212883
Energy: 0.9533418746326223
Energy: 0.98423000757743
Energy: 0.9528108269452846
Energy: 0.928100316086886
Energy: 0.9528108269459489
Energy: 0.928100316086886
Energy: 0.9528108269452846
Energy: 0.928100316086886
Energy: 0.9423670890186182
Energy: 0.9712068437437424
Energy: 0.9423670890219388
Energy: 0.9712068437430784
Energy: 0.9423670890212748
Energy: 0.9712068437430784
Energy: 0.8845353033106941
Energy: 0.9887334155447796
Energy: 0.8845353033100298
Energy: 0.9887334155587261
Energy: 0.8845353033113581
Energy: 0.9887334155547415
Energy: 0.9933268739301692
Energy: 0.8942666411241461
Energy: 0.9933268739268485
Energy: 0.8942666411248101
Energy: 0.9933268739295051
Energy: 0.8942666411248101
Energy: 0.9403248962053546
Energy: 1.0040787636035915
Energy: 0.9403248962040264
Energy: 1.0040787636042559
Energy: 0.940324896206683
Energy: 1.0040787636069122
Energy: 0.904281958554098
Energy: 0.9878124090465225
Energy: 0.904281958554762
Energy: 0.9878124090425378
Energy: 0.9042819585521057
Energy: 0.98781240904453
Energy: 1.0525234796942151
Energy: 0.949893927039498
Energy: 1.0525234796962075
Energy: 0.949893927038834
Energy: 1.0525234796928868
Energy: 0.9498939270401622
Energy: 0.9373093058169162
Energy: 0.9286080353768914
Energy: 0.9373093058182443
Energy: 0.9286080353748992
Energy: 0.9373093058162522
Energy: 0.9286080353755632
Energy: 0.9738205326999797
Energy: 1.0401845410240622
Energy: 0.9738205326993157
Energy: 1.040184541023398
Energy: 0.973820532701308
Energy: 1.0401845410247264
Energy: 0.9543270563533789
Energy: 0.9885364725895913
Energy: 0.9543270563493944
Energy: 0.9885364725922479
Energy: 0.9543270563586921
Energy: 0.9885364725909196
Energy: 0.9154460113923154
Energy: 0.9777786834619965
Energy: 0.9154460113929797
Energy: 0.9777786834593399
Energy: 0.9154460113929797
Energy: 0.9777786834586757
Energy: 0.9042656429751356
Energy: 1.0336505812048558
Energy: 0.9042656429711508
Energy: 1.0336505812041916
Energy: 0.9042656429738072
Energy: 1.0336505812035275
Energy: 0.9646879643178113
Energy: 0.9834234030133449
Energy: 0.9646879643058573
Energy: 0.9834234030160013
Energy: 0.9646879643118345
Energy: 0.9834234030140089
Energy: 0.8850045907136869
Energy: 0.9778397238616255
Energy: 0.8850045907123586
Energy: 0.9778397238642821
Energy: 0.8850045907136869
Energy: 0.9778397238649461
Energy: 0.973628877433457
Energy: 0.9946068195571255
Energy: 0.973628877433457
Energy: 0.9946068195571255
Energy: 0.9736288774321288
Energy: 0.9946068195564615
Energy: 0.9907087298306965
Energy: 0.9773386732186531
Energy: 0.9907087298346813
Energy: 0.9773386732213096
Energy: 0.9907087298313606
Energy: 0.9773386732219737
Energy: 0.9769718662888597
Energy: 1.1611437602321488
Energy: 0.976971822996028
Energy: 1.161143760232813
Energy: 0.9769717088788941
Energy: 1.1611437602341412
Energy: 0.936938852870874
Energy: 0.9931395046585636
Energy: 0.9369388528728663
Energy: 0.9931395046578996
Energy: 0.936938852871538
Energy: 0.9931395046585636
Energy: 0.8963389252757789
Energy: 0.9772491337461535
Energy: 0.8963389252737862
Energy: 0.9772491337434971
Energy: 0.8963389252751146
Energy: 0.9772491337454895

minimum gb energy = 0.8734778939890093 eV
minimum distance =  2.32396013789062 Angstroms
sigma value = 43


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

Energy: 0.8806392906076385
Energy: 0.823007276570308
Energy: 0.8806392906081222
Energy: 0.8230072765707919
Energy: 0.8806392906090899
Energy: 0.8230072765707919
Energy: 0.8150316313426981
Energy: 0.8236723806033771
Energy: 0.8150316313417303
Energy: 0.8236723806028932
Energy: 0.8150316313436657
Energy: 0.8236723806033771
Energy: 0.886209484683162
Energy: 0.8884438821696116
Energy: 0.8862094846788069
Energy: 0.8884438821700955
Energy: 0.8862094846802586
Energy: 0.8884438821700955
Energy: 0.837487389762492
Energy: 0.8710752265652074
Energy: 0.8374873897615244
Energy: 0.8710752265666591
Energy: 0.8374873897615244
Energy: 0.8710752265681109
Energy: 0.8153990737640199
Energy: 0.7715978071981032
Energy: 0.8153990737635359
Energy: 0.7715978071981032
Energy: 0.8153990737635359
Energy: 0.7715978071976193
Energy: 0.8578957139719513
Energy: 0.8145126245401534
Energy: 0.8578957139714675
Energy: 0.8145126245396695
Energy: 0.8578957139767902
Energy: 0.8145126245396695
Energy: 0.8182640383635106
Energy: 0.8536452164615818
Energy: 0.8182640383639946
Energy: 0.8536452164610978
Energy: 0.8182640383625429
Energy: 0.8536452164596461
Energy: 0.8177776379441014
Energy: 0.7801567275932291
Energy: 0.8177776379494243
Energy: 0.780156727593713
Energy: 0.8177776379479725
Energy: 0.7801567275932291
Energy: 0.8237673970578631
Energy: 0.8021761935768855
Energy: 0.8237673970564114
Energy: 0.8021761935768855
Energy: 0.8237673970573792
Energy: 0.8021761935764016
Energy: 0.9068181915475181
Energy: 0.8163682602199163
Energy: 0.9068181915494539
Energy: 0.8163682602213238
Energy: 0.9068181915484859
Energy: 0.81636826022084
Energy: 0.8962375454337556
Energy: 0.8803134953710313
Energy: 0.8962375454366587
Energy: 0.880313495371515
Energy: 0.8962375454366587
Energy: 0.8803134953719991
Energy: 0.784903250867698
Energy: 0.804717916257886
Energy: 0.7849032508691496
Energy: 0.8047179162564344
Energy: 0.7849032508672141
Energy: 0.8047179162569184
Energy: 0.905883096361714
Energy: 0.7831121733151161
Energy: 0.9058830963631656
Energy: 0.7831121733151161
Energy: 0.9058830963621978
Energy: 0.7831121733151161
Energy: 0.8178727656258986
Energy: 0.8768458076918277
Energy: 0.8178727656254146
Energy: 0.876845807691344
Energy: 0.8178727656225114
Energy: 0.8768458076923117
Energy: 0.8130422599171349
Energy: 0.7923463093948445
Energy: 0.8130422599166508
Energy: 0.7923463093943606
Energy: 0.8130422599156831
Energy: 0.792346309392425
Energy: 0.8473990766571889
Energy: 0.8272430126114579
Energy: 0.8473990766571889
Energy: 0.8272430126114579
Energy: 0.8473990766562213
Energy: 0.8272430126124258
Energy: 0.8231882983500035
Energy: 0.8689376832688749
Energy: 0.8231882983519392
Energy: 0.8689376832679072
Energy: 0.8231882983514552
Energy: 0.8689376832654878
Energy: 0.8368636496991592
Energy: 0.7934712385687744
Energy: 0.8368636497006109
Energy: 0.7934712385692583
Energy: 0.836863649700127
Energy: 0.7934712385687744
Energy: 0.7767391782209052
Energy: 0.8870119743268753
Energy: 0.7767391782209052
Energy: 0.8870119743268753
Energy: 0.776739178221389
Energy: 0.887011974327843
Energy: 0.8196218488981403
Energy: 0.7862076513885058
Energy: 0.819621848898624
Energy: 0.7862076513880221
Energy: 0.819621848898624
Energy: 0.7862076513880221
Energy: 0.8863043056625252
Energy: 0.8220607606073886
Energy: 0.8863043056596219
Energy: 0.822060760605937
Energy: 0.8863043056625252
Energy: 0.8220607606069048
Energy: 0.8479274546733035
Energy: 0.8908716049408182
Energy: 0.8479274546723358
Energy: 0.8908716049413019
Energy: 0.8479274546747553
Energy: 0.8908716049403342
Energy: 0.8459845650670154
Energy: 0.8832857674474539
Energy: 0.8459845650670154
Energy: 0.8832857674479379
Energy: 0.8459845650670154
Energy: 0.8832857674479379
Energy: 0.8463305254446474
Energy: 0.8215041469747826
Energy: 0.8463305254475506
Energy: 0.8215041469747826
Energy: 0.8463305254490023
Energy: 0.8215041469752664
Energy: 0.7761456701753434
Energy: 0.7788984820614437
Energy: 0.7761456701758274
Energy: 0.7788984820614437
Energy: 0.7761456701758274
Energy: 0.7788984820614437
Energy: 0.7948578899958536
Energy: 0.8663438609732997
Energy: 0.7948578899967773
Energy: 0.8663438609732997
Energy: 0.7948578899977452
Energy: 0.8663438609737837
Energy: 0.8550030060317166
Energy: 0.7917113834645367
Energy: 0.8550030060283295
Energy: 0.7917113834645367
Energy: 0.8550030060283295
Energy: 0.7917113834640528
Energy: 0.7370045401797584
Energy: 0.7821144000802505
Energy: 0.737004540177339
Energy: 0.7821144000749278
Energy: 0.7370045401783066
Energy: 0.782114400078315
Energy: 0.7946656740931006
Energy: 0.8234225205780629
Energy: 0.7946656740931006
Energy: 0.8234225205780629
Energy: 0.7946656740940686
Energy: 0.8234225205780629
Energy: 0.8083712267105595
Energy: 0.7782131679623832
Energy: 0.8083712267095919
Energy: 0.7782131679618992
Energy: 0.8083712267115273
Energy: 0.7782131679618992
Energy: 0.7352179906447301
Energy: 0.7821338808976973
Energy: 0.8298746125235911
Energy: 0.7821338808947942
Energy: 0.7415247619504556
Energy: 0.7821338808972136
Energy: 0.7952918059239976
Energy: 0.7972512782410514
Energy: 0.7952918059239976
Energy: 0.7972512782405674
Energy: 0.7952918059239976
Energy: 0.7972512782410514
Energy: 0.7812763792281653
Energy: 0.7792318934146296
Energy: 0.7812763792286491
Energy: 0.7792318934170491
Energy: 0.7812763792315525
Energy: 0.7792318934122103
Energy: 0.897126550664451
Energy: 0.880002772490645
Energy: 0.8971265506615476
Energy: 0.880002772490161
Energy: 0.8971265506629993
Energy: 0.880002772490161
Energy: 0.824953992495206
Energy: 0.772277339844885
Energy: 0.8249539924932703
Energy: 0.772277339844885
Energy: 0.8249539924937542
Energy: 0.7722773398458528
Energy: 0.7176226973249301
Energy: 0.7801532662206073
Energy: 0.7176226973283173
Energy: 0.7801532662181878
Energy: 0.7176226973249301
Energy: 0.7801532662201234

minimum gb energy = 0.7176226973249301 eV
minimum distance =  2.30303348724695 Angstroms
sigma value = 81


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

Energy: 0.01499356620772443
Energy: 0.05703082807644536
Energy: 0.014993566205946536
Energy: 0.05703082807644536
Energy: 0.014993566205946536
Energy: 0.05703082807644536
Energy: 0.693822528404652
Energy: 0.016081410753639922
Energy: 0.693822528404652
Energy: 0.016081410755417816
Energy: 0.6938225284028741
Energy: 0.016081410757195717
Energy: 0.6938141049763457
Energy: 0.016068528452989474
Energy: 0.6938141049763457
Energy: 0.016068528445877892
Energy: 0.6938141049763457
Energy: 0.016068528456545262
Energy: 0.01499356620772443
Energy: 0.05703082807822326
Energy: 0.014993566205946536
Energy: 0.05703082807644536
Energy: 0.014993566205946536
Energy: 0.05703082807644536
Energy: 0.6938225284028741
Energy: 0.016081410739416754
Energy: 0.6938225284028741
Energy: 0.01608141075186203
Energy: 0.693822528404652
Energy: 0.016081410748306234
Energy: 0.6938141049763457
Energy: 0.016068528452989474
Energy: 0.6938141049763457
Energy: 0.016068528452989474
Energy: 0.6938141049763457
Energy: 0.01606852844943368
Energy: 0.01499356620772443
Energy: 0.05703082807644536
Energy: 0.014993566205946536
Energy: 0.05703082807644536
Energy: 0.014993566205946536
Energy: 0.05703082807644536
Energy: 0.693822528404652
Energy: 0.016081410735860963
Energy: 0.6938225284028741
Energy: 0.016081410735860963
Energy: 0.6938225284028741
Energy: 0.016081410734083066
Energy: 0.6938141049763457
Energy: 0.016068528454767368
Energy: 0.6938141049763457
Energy: 0.016068528454767368
Energy: 0.6938141049763457
Energy: 0.01606852844943368
Energy: 0.01499356620772443
Energy: 0.05703082807644536
Energy: 0.01499356620772443
Energy: 0.05703082807644536
Energy: 0.01499356620772443
Energy: 0.05703082807644536

minimum gb energy = 0.014993566205946536 eV
minimum distance =  2.52789834448574 Angstroms
sigma value = 3


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

Energy: 0.6476896174427894
Energy: 0.698335535881456
Energy: 0.6476896174422574
Energy: 0.6983355358798841
Energy: 0.6476896174411934
Energy: 0.6983355358809482
Energy: 0.5606369610219795
Energy: 0.6160278248994379
Energy: 0.5606369610225115
Energy: 0.6160278248989058
Energy: 0.5606369610214474
Energy: 0.6160278248989058
Energy: 0.6627246990076389
Energy: 0.6177791256589811
Energy: 0.6627246990076389
Energy: 0.6177791256589811
Energy: 0.6627246990076389
Energy: 0.6177791256589811
Energy: 0.6126107285831184
Energy: 0.6555064961091344
Energy: 0.6126107285809902
Energy: 0.6555064961096665
Energy: 0.6126107285809902
Energy: 0.6555064961101985
Energy: 0.588660791119646
Energy: 0.6136155743171474
Energy: 0.588660791119646
Energy: 0.6136155743171474
Energy: 0.588660791119114
Energy: 0.6136155743171474
Energy: 0.6648126633251839
Energy: 0.6251459027203924
Energy: 0.664812663326248
Energy: 0.6251459027203924
Energy: 0.6648126633257159
Energy: 0.6251459027198603
Energy: 0.6304584339278859
Energy: 0.6483910262813859
Energy: 0.6304584339268219
Energy: 0.6483910262760655
Energy: 0.6304584339278859
Energy: 0.6483910262824499
Energy: 0.586385728455002
Energy: 0.6128266268922165
Energy: 0.5863857284555342
Energy: 0.6128266268916844
Energy: 0.5863857284560662
Energy: 0.6128266268911524
Energy: 0.677807149211393
Energy: 0.642617675179054
Energy: 0.6778071492108609
Energy: 0.642617675179054
Energy: 0.6778071492108609
Energy: 0.6426176751785221
Energy: 0.630917561728592
Energy: 0.6445184803298416
Energy: 0.630917561727528
Energy: 0.6445184803314378
Energy: 0.6309175617269959
Energy: 0.6445184803325018
Energy: 0.6253059754925274
Energy: 0.6119930296837164
Energy: 0.6253059754925274
Energy: 0.6119930296831843
Energy: 0.6253059754983797
Energy: 0.6119930296831843
Energy: 0.692086374417066
Energy: 0.6921618854233742
Energy: 0.692086374417066
Energy: 0.6921618854233742
Energy: 0.692086374417066
Energy: 0.6921618854239062
Energy: 0.6126764211218271
Energy: 0.6071033153908457
Energy: 0.6126764211218271
Energy: 0.6071033153924418
Energy: 0.6126764211212951
Energy: 0.6071033153903136
Energy: 0.6485586774789887
Energy: 0.5873844812774622
Energy: 0.6485586774699439
Energy: 0.5873844812774622
Energy: 0.6485586774736682
Energy: 0.5873844812758662
Energy: 0.6401958759766831
Energy: 0.6680387925025721
Energy: 0.6401958759766831
Energy: 0.6680387925047003
Energy: 0.6401958759761511
Energy: 0.6680387925041683
Energy: 0.6138930150315727
Energy: 0.594654589393862
Energy: 0.6138930150321047
Energy: 0.5946545893927978
Energy: 0.6138930150326367
Energy: 0.5946545893912017
Energy: 0.6568258503784441
Energy: 0.6708686614990571
Energy: 0.6568258503784441
Energy: 0.6708686614990571
Energy: 0.6568258503789762
Energy: 0.6708686614995892
Energy: 0.6562251831357803
Energy: 0.6294264382265574
Energy: 0.6562251831363123
Energy: 0.6294264382270895
Energy: 0.6562251831357803
Energy: 0.6294264382265574
Energy: 0.6147807589811067
Energy: 0.575039014111121
Energy: 0.6147807589816388
Energy: 0.575039014111121
Energy: 0.6147807589821708
Energy: 0.5750390141116529
Energy: 0.6366703080542396
Energy: 0.6825239759136429
Energy: 0.6366703080537318
Energy: 0.6825239759136429
Energy: 0.6366703080542396
Energy: 0.6825239759131109
Energy: 0.6526900102625671
Energy: 0.46996594463110847
Energy: 0.6526900102630993
Energy: 0.4699659446305764
Energy: 0.6526900102625671
Energy: 0.4699659446305764
Energy: 0.5871347920763211
Energy: 0.628393600751547
Energy: 0.5871347920768532
Energy: 0.6283936007520791
Energy: 0.5871347920768532
Energy: 0.628393600751547
Energy: 0.6626187134494713
Energy: 0.5864513726759601
Energy: 0.6626187134494713
Energy: 0.5864513726759601
Energy: 0.6626187134505354
Energy: 0.5864513726764922
Energy: 0.655196356334893
Energy: 0.4703878348917376
Energy: 0.655196356333829
Energy: 0.4703878348906735
Energy: 0.655196356333829
Energy: 0.4703878348906735
Energy: 0.6128394926245436
Energy: 0.6553113729220569
Energy: 0.6128394926256078
Energy: 0.6553113729215247
Energy: 0.6128394926245436
Energy: 0.6553113729220569
Energy: 0.66727545106779
Energy: 0.6131321404878366
Energy: 0.6672754510672578
Energy: 0.6131321404878366
Energy: 0.6672754510661938
Energy: 0.6131321404873046
Energy: 0.7459976266199939
Energy: 0.5723074652330825
Energy: 0.7459976266189298
Energy: 0.5723074652330825
Energy: 0.7459976266205259
Energy: 0.5723074652330825
Energy: 0.631134468733996
Energy: 0.6855792025104117
Energy: 0.631134468733996
Energy: 0.6855792025104117
Energy: 0.6311344687350602
Energy: 0.6855792025104117
Energy: 0.667754961635463
Energy: 0.6137738994026912
Energy: 0.667754961634399
Energy: 0.6137738994026912
Energy: 0.6677549616349309
Energy: 0.6137738994026912
Energy: 0.7459838645014957
Energy: 0.7168269985104913
Energy: 0.745983864503092
Energy: 0.716826998507831
Energy: 0.745983864503092
Energy: 0.7168269985088951
Energy: 0.6935324790139779
Energy: 0.6800191807324287
Energy: 0.6935324790139779
Energy: 0.6800191807329607
Energy: 0.6935324790182342
Energy: 0.6800191807329607
Energy: 0.6427884115232607
Energy: 0.6251640666618835
Energy: 0.6427884115232607
Energy: 0.6251640666624155
Energy: 0.6427884115227286
Energy: 0.6251640666618835
Energy: 0.6362146528204927
Energy: 0.674463542101759
Energy: 0.6362146528183645
Energy: 0.6744635421033551
Energy: 0.6362146528199607
Energy: 0.6744635421022909

minimum gb energy = 0.4699659446305764 eV
minimum distance =  2.36281747029599 Angstroms
sigma value = 67


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

Energy: 0.850843260381896
Energy: 0.8394556742428305
Energy: 0.8508432603834122
Energy: 0.8394556742428305
Energy: 0.850843260382654
Energy: 0.8394556742420726
Energy: 0.8298077635622781
Energy: 0.8386253806263491
Energy: 0.8298077635637944
Energy: 0.8386253806263491
Energy: 0.8298077635637944
Energy: 0.8386253806263491
Energy: 1.0816813802024656
Energy: 0.8368817458142686
Energy: 1.0816813802032237
Energy: 0.8368817458142686
Energy: 1.015478007663993
Energy: 0.8368817458142686
Energy: 0.8412014033119091
Energy: 0.895608038561594
Energy: 0.8412014033119091
Energy: 0.8956080385578035
Energy: 0.8412014033111508
Energy: 0.8956080385631102
Energy: 0.8381368793296433
Energy: 0.8382734333799903
Energy: 0.8381368793311597
Energy: 0.8382734333799903
Energy: 0.8381368793273691
Energy: 0.8382734333799903
Energy: 0.8848559410823696
Energy: 0.8364680249126549
Energy: 0.8848559410816115
Energy: 0.8364680249126549
Energy: 0.8848559410823696
Energy: 0.8364680249126549
Energy: 0.9701981085211324
Energy: 0.8694266417255722
Energy: 0.970198108525681
Energy: 0.8694266417255722
Energy: 0.9701981085241648
Energy: 0.8694266417248142
Energy: 0.8762606502165109
Energy: 0.8416044561885518
Energy: 0.8762606502172688
Energy: 0.8416044561877938
Energy: 0.8762606502142365
Energy: 0.8416044561877938
Energy: 0.9072125195449956
Energy: 0.9109624512248163
Energy: 0.9072125195449956
Energy: 0.9109624512248163
Energy: 0.9072125195442376
Energy: 0.9109624512248163
Energy: 0.833744256053052
Energy: 0.8264632615068501
Energy: 0.833744256053052
Energy: 0.8264632615060921
Energy: 0.83374425605381
Energy: 0.8264632615060921
Energy: 0.8785578025439285
Energy: 0.8424563333603947
Energy: 0.8785578025431704
Energy: 0.8424563333596368
Energy: 0.8785578025416542
Energy: 0.8424563333603947
Energy: 0.833468152833478
Energy: 0.8656511772972918
Energy: 0.833468152833478
Energy: 0.8656511772980497
Energy: 0.8334681528327199
Energy: 0.865651177298808
Energy: 0.8330186066386832
Energy: 0.8328700119532059
Energy: 0.833018606636409
Energy: 0.8328700119539642
Energy: 0.833018606637167
Energy: 0.8328700119539642
Energy: 0.8656665514297501
Energy: 0.8207806569698891
Energy: 0.8656665514297501
Energy: 0.8207806569698891
Energy: 0.8656665514297501
Energy: 0.8207806569691309
Energy: 0.8243687015273052
Energy: 0.8295965875517801
Energy: 0.8243687015242731
Energy: 0.8295965875525383
Energy: 0.8243687015265473
Energy: 0.8295965875525383
Energy: 0.838426997940046
Energy: 0.8430442562193288
Energy: 0.8384269979385641
Energy: 0.8430442562200868
Energy: 0.8384269979385641
Energy: 0.8430442562193288
Energy: 0.9016968579934518
Energy: 0.8408306444844191
Energy: 0.9016968579934518
Energy: 0.8408306444844191
Energy: 0.9016968579949679
Energy: 0.8408306444844191
Energy: 0.8223308264908169
Energy: 0.8256952224342462
Energy: 0.822330826490059
Energy: 0.825695222433488
Energy: 0.8223308264908169
Energy: 0.825695222433488
Energy: 0.970036562419076
Energy: 0.8797810983574382
Energy: 0.9700365625100134
Energy: 0.8797810983574382
Energy: 0.9700365624009163
Energy: 0.8797810983566802
Energy: 0.8248384837020887
Energy: 0.8380067735164808
Energy: 0.8248384837020887
Energy: 0.838006773517239
Energy: 0.8248384837013306
Energy: 0.838006773517239
Energy: 0.8640982236530375
Energy: 0.8451783672529429
Energy: 0.8640982236545537
Energy: 0.8451783672537011
Energy: 0.8640982236537956
Energy: 0.8451783672537011
Energy: 0.8425003077746874
Energy: 0.912144620508069
Energy: 0.8425003077746874
Energy: 0.912144620508069
Energy: 0.8425003077731713
Energy: 0.912144620508069
Energy: 0.8841073170061103
Energy: 0.8372556817311946
Energy: 0.8841073170053521
Energy: 0.8372556817311946
Energy: 0.8841073170061103
Energy: 0.8372556817311946

minimum gb energy = 0.8207806569691309 eV
minimum distance =  2.37910437324509 Angstroms
sigma value = 33


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

Energy: 0.9812076058360744
Energy: 1.0060289911436955
Energy: 0.9812076058355933
Energy: 1.0060289911456193
Energy: 0.9812076058351125
Energy: 1.0060289911456193
Energy: 0.9742811449307649
Energy: 0.9539747600602206
Energy: 0.9742811449298029
Energy: 0.9539747600597397
Energy: 0.9742811449307649
Energy: 0.9539747600597397
Energy: 1.0022000802534197
Energy: 0.9697176898043804
Energy: 1.0022000802524575
Energy: 0.9697176898048615
Energy: 1.0022000802524575
Energy: 0.9697176898043804
Energy: 0.9731747036588675
Energy: 1.0663666132712941
Energy: 0.9731747036579057
Energy: 1.066366613271775
Energy: 0.9731747036579057
Energy: 1.066366613272737
Energy: 1.0091692091143802
Energy: 0.9533223019007945
Energy: 1.0091692091143802
Energy: 0.9533223019003135
Energy: 1.0091692091143802
Energy: 0.9533223019007945
Energy: 1.0417745213652005
Energy: 1.0339563525946731
Energy: 1.0417745213608722
Energy: 1.1273668062799362
Energy: 1.0417745213642389
Energy: 1.0731843639055647
Energy: 0.968277696899526
Energy: 1.0323677086587972
Energy: 0.9682776968985641
Energy: 1.0323677086587972
Energy: 0.9682776969004879
Energy: 1.0323677086583163
Energy: 1.0517678247289843
Energy: 0.999059887206146
Energy: 1.0517678247294653
Energy: 0.999059887206146
Energy: 1.0517678247304272
Energy: 0.9990598872056651
Energy: 0.983058280310518
Energy: 1.025588149875123
Energy: 0.9830582803100371
Energy: 1.025588149874642
Energy: 0.9830582803109991
Energy: 1.025588149875123
Energy: 0.9565970580758845
Energy: 1.021730221710388
Energy: 0.9565970580758845
Energy: 1.0217302217094262
Energy: 0.9565970580773272
Energy: 1.065883507584912
Energy: 1.0368042124531622
Energy: 0.9528280698960511
Energy: 1.0368042124517194
Energy: 0.9528280698960511
Energy: 1.036804212453643
Energy: 0.9528280698955702
Energy: 0.9716181621286865
Energy: 0.9914318653382606
Energy: 0.9716181621277247
Energy: 0.9914318653387416
Energy: 0.9716181621296484
Energy: 0.9914318653377797
Energy: 0.9554208573152049
Energy: 0.9791072482102894
Energy: 0.9554208573161668
Energy: 0.9791072482107704
Energy: 0.9554208573166477
Energy: 0.9791072482102894
Energy: 0.9802315722621223
Energy: 0.9539360955710414
Energy: 0.9802315722630843
Energy: 0.9539360955705606
Energy: 0.9802315722635652
Energy: 0.9539360955710414
Energy: 0.9632565248023721
Energy: 0.987230270315925
Energy: 0.9632565248000112
Energy: 0.987230270315925
Energy: 0.9632565248023721
Energy: 0.987230270315925
Energy: 0.9725538748036437
Energy: 1.0141623136717366
Energy: 0.9725538748022009
Energy: 1.0141623136731792
Energy: 0.9725538748036437
Energy: 1.0141623136712556
Energy: 1.0102529044052069
Energy: 0.9696343363295641
Energy: 1.010252904403764
Energy: 0.9696343363295641
Energy: 1.010252904404726
Energy: 0.9696343363290831
Energy: 1.0107428123472526
Energy: 1.0503374689140776
Energy: 1.0107428123458102
Energy: 1.0503374689193679
Energy: 1.0107428123486517
Energy: 1.0503374689169631
Energy: 0.9742030336952645
Energy: 1.033408269150111
Energy: 0.9742030336947839
Energy: 1.0334082691491493
Energy: 0.9742030336947839
Energy: 1.0334082691529967
Energy: 1.0457850970837395
Energy: 0.9540895601448534
Energy: 1.0457850970803733
Energy: 0.9540895601462962
Energy: 1.0457850970803733
Energy: 0.9540895601448534
Energy: 0.9713482527784946
Energy: 1.0274454979613226
Energy: 0.9713482527784946
Energy: 1.0274454979613226
Energy: 0.9713482527789755
Energy: 1.0274454979618035
Energy: 0.9620799210442184
Energy: 0.9948773167146876
Energy: 0.9620799210451803
Energy: 0.9948773167151685
Energy: 0.9620799210456612
Energy: 0.9948773167151685
Energy: 1.0689918323230898
Energy: 0.9529435874507544
Energy: 1.0689918323293415
Energy: 0.9529435874512353
Energy: 1.0689918323245327
Energy: 0.9529435874507544
Energy: 0.9569285152664405
Energy: 0.9859890277195298
Energy: 0.9569285152698069
Energy: 0.9859890277195298
Energy: 0.9569285152659595
Energy: 0.9859890277200106
Energy: 0.9712136270974914
Energy: 0.9858217115847575
Energy: 0.971213627094125
Energy: 0.9858217115852385
Energy: 0.9712136270974914
Energy: 0.9858217115852385
Energy: 1.038663862534986
Energy: 0.9822108484063181
Energy: 1.0386638625364284
Energy: 0.9822108484067991
Energy: 1.0386638625325813
Energy: 0.9822108484067991
Energy: 0.9681533848291329
Energy: 0.9946959447749161
Energy: 0.9681533848291329
Energy: 0.9946959447753969
Energy: 0.9681533848276902
Energy: 0.9946959447734733
Energy: 0.954911726347583
Energy: 1.0847164707678012
Energy: 0.9549117263499878
Energy: 1.0847164707673203
Energy: 0.9549117263471021
Energy: 1.0847164707678012
Energy: 1.051357711055945
Energy: 0.9531619964795675
Energy: 1.051357711055945
Energy: 0.9531619964790864
Energy: 1.051357711055945
Energy: 0.9531619964790864
Energy: 0.9725583202001402
Energy: 1.041433166851975
Energy: 0.9725583202011022
Energy: 1.041433166856303
Energy: 0.9725583201996595
Energy: 1.0414331668538985
Energy: 1.0541864593222137
Energy: 1.0625618294571055
Energy: 1.0541864593236563
Energy: 1.0625618294566248
Energy: 1.0541864593222137
Energy: 1.0625618294566248
Energy: 1.008808140965449
Energy: 0.95412210667817
Energy: 1.00880814096593
Energy: 0.95412210667817
Energy: 1.008808140964968
Energy: 0.9541221066786509
Energy: 0.975305468211268
Energy: 1.0142216993002091
Energy: 0.9753054682103062
Energy: 1.014221699299772
Energy: 0.9753054682117488
Energy: 1.01422169930069
Energy: 0.9674405087429034
Energy: 0.9547801919618425
Energy: 0.9674405087308805
Energy: 0.9547801919618425
Energy: 0.9674405087424226
Energy: 0.9547801919613614
Energy: 0.9843126152414512
Energy: 0.9697848227439341
Energy: 0.9843126152395275
Energy: 0.9697848227463387
Energy: 0.9843126152395275
Energy: 0.9697848227458578
Energy: 0.9572342091488932
Energy: 0.9673999114822288
Energy: 0.957234209149855
Energy: 0.9673999114817478
Energy: 0.9572342091503361
Energy: 0.9673999114817478
Energy: 0.9756028343156521
Energy: 0.9764756690888368
Energy: 0.9756028343156521
Energy: 0.9764756690893178
Energy: 0.9756028343142094
Energy: 0.9764756690893178

minimum gb energy = 0.9528280698955702 eV
minimum distance =  2.34408299200594 Angstroms
sigma value = 41


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

Energy: 1.2150619405763505
Energy: 1.2127898777005555
Energy: 1.2150619405763505
Energy: 1.2127898777018686
Energy: 1.2150619405750374
Energy: 1.2127898777005555
Energy: 1.2389598237304547
Energy: 1.2025890130915489
Energy: 1.2389598237304547
Energy: 1.2025890130915489
Energy: 1.2389598237317676
Energy: 1.2025890130915489
Energy: 1.4478324112163456
Energy: 1.1986656983834618
Energy: 1.4478324112150325
Energy: 1.1986656983834618
Energy: 1.3002048213414517
Energy: 1.1986656983834618
Energy: 1.1900508885976528
Energy: 1.3032706771224618
Energy: 1.1900508885976528
Energy: 1.3032706771224618
Energy: 1.1900508885963397
Energy: 1.3032706771224618
Energy: 1.2993432226261348
Energy: 1.2158136873409031
Energy: 1.299343222627448
Energy: 1.2158136873409031
Energy: 1.2993432226261348
Energy: 1.2158136873395902
Energy: 1.3139280043284762
Energy: 1.2992066444266606
Energy: 1.3139280043284762
Energy: 1.2992066444253474
Energy: 1.3139280043297894
Energy: 1.2992066444266606
Energy: 1.2015310334333724
Energy: 1.2405182695408796
Energy: 1.2015310334333724
Energy: 1.2405182695408796
Energy: 1.2015310334320597
Energy: 1.2405182695408796
Energy: 1.2436728536896955
Energy: 1.202929910415195
Energy: 1.2436728536910084
Energy: 1.202929910415195
Energy: 1.2436728536896955
Energy: 1.202929910415195
Energy: 1.2491267260692736
Energy: 1.242169431835037
Energy: 1.2491267260679604
Energy: 1.24216943183635
Energy: 1.2491267260692736
Energy: 1.242169431835037
Energy: 1.18945250502589
Energy: 1.2487435081776308
Energy: 1.18945250502589
Energy: 1.2487435081763179
Energy: 1.18945250502589
Energy: 1.2487435081763179
Energy: 1.2388352431373078
Energy: 1.1993041314494879
Energy: 1.238835243138621
Energy: 1.1993041314494879
Energy: 1.2388352431373078
Energy: 1.1993041314494879
Energy: 1.2528331727665767
Energy: 1.2008752813181804
Energy: 1.2528331727652637
Energy: 1.2008752813181804
Energy: 1.2528331727652637
Energy: 1.2008752813181804
Energy: 1.2238283548331175
Energy: 1.3026960594865016
Energy: 1.2238283548331175
Energy: 1.3026960594878145
Energy: 1.2238283548331175
Energy: 1.3026960594865016
Energy: 1.299226014671256
Energy: 1.2029547802164229
Energy: 1.299226014671256
Energy: 1.2029547802164229
Energy: 1.2992260146699428
Energy: 1.2029547802164229

minimum gb energy = 1.18945250502589 eV
minimum distance =  2.34616092756247 Angstroms
sigma value = 11


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

Energy: 1.4448334032352912
Energy: 1.4695420600837077
Energy: 1.4448334032352912
Energy: 1.4695420600842848
Energy: 1.4448334032347148
Energy: 1.4695420600842848
Energy: 1.4430940427674812
Energy: 1.4031455024239794
Energy: 1.4430940427657508
Energy: 1.4031455024234025
Energy: 1.4430940427674812
Energy: 1.4031455024239794
Energy: 1.5227672537127694
Energy: 1.4125268165808407
Energy: 1.5227672537133463
Energy: 1.4125268165802636
Energy: 1.5227672537139232
Energy: 1.4125268165802636
Energy: 1.4078656838964767
Energy: 1.4966127743356583
Energy: 1.4078656838953227
Energy: 1.4966127743350812
Energy: 1.4078656838958998
Energy: 1.4966127743345046
Energy: 1.5183775801087362
Energy: 1.4278268068179594
Energy: 1.5183775801093131
Energy: 1.4278268068179594
Energy: 1.5183775801093131
Energy: 1.4278268068179594
Energy: 1.4089204974238798
Energy: 1.4767561572799603
Energy: 1.4089204974238798
Energy: 1.4767561572793835
Energy: 1.4089204974256104
Energy: 1.4767561572799603
Energy: 1.4149682375947399
Energy: 1.5279790327258638
Energy: 1.4149682375958936
Energy: 1.5279790327241332
Energy: 1.4149682375953168
Energy: 1.5279790327241332
Energy: 1.484470257554279
Energy: 1.4079759145220334
Energy: 1.484470257554279
Energy: 1.4079759145214568
Energy: 1.484470257554856
Energy: 1.4079759145214568
Energy: 1.4891248210976922
Energy: 1.4067728001929451
Energy: 1.4891248210971153
Energy: 1.4067728001929451
Energy: 1.4891248210971153
Energy: 1.4067728001929451
Energy: 1.4253193810345406
Energy: 1.5262476101049038
Energy: 1.4253193810345406
Energy: 1.5262476101123763
Energy: 1.4253193810345406
Energy: 1.5262476101117994
Energy: 1.4412160184907625
Energy: 1.434426446500829
Energy: 1.4412160184924927
Energy: 1.434426446500829
Energy: 1.4412160184907625
Energy: 1.4344264465002519
Energy: 1.4710781976557892
Energy: 1.4702907473227775
Energy: 1.471078197653482
Energy: 1.4702907473216238
Energy: 1.471078197653482
Energy: 1.4702907473222009
Energy: 1.4084549821041572
Energy: 1.5003283647643273
Energy: 1.4084549821058614
Energy: 1.5003283647637506
Energy: 1.4084549821035803
Energy: 1.5003283647643273
Energy: 1.5404175164075082
Energy: 1.403741657339944
Energy: 1.5404175164069316
Energy: 1.403741657339944
Energy: 1.540417516408085
Energy: 1.403741657339944
Energy: 1.491736004454375
Energy: 1.4307753626987625
Energy: 1.4917360044561057
Energy: 1.4307753626987625
Energy: 1.4893739325508617
Energy: 1.4307753626987625
Energy: 1.43727779142732
Energy: 1.4929751872585941
Energy: 1.4372777914284736
Energy: 1.4929751872574406
Energy: 1.43727779142732
Energy: 1.4929751872580175
Energy: 1.4968743197890317
Energy: 1.4193674124401012
Energy: 1.4968743197890317
Energy: 1.4193674124395244
Energy: 1.4968743197884549
Energy: 1.4193674124401012
Energy: 1.4592440428768025
Energy: 1.472933828822779
Energy: 1.4592440428773794
Energy: 1.4729338288222023
Energy: 1.4592440428773794
Energy: 1.4729338288222023
Energy: 1.4182179003373026
Energy: 1.4668693070119183
Energy: 1.4182179003367257
Energy: 1.4668693070124952
Energy: 1.4182179003367257
Energy: 1.4668693070124952
Energy: 1.4921857855508096
Energy: 1.4357474586986985
Energy: 1.4921857855502327
Energy: 1.4357474586986985
Energy: 1.49218578555254
Energy: 1.4357474586986985
Energy: 1.4208546772576525
Energy: 1.4876217955252349
Energy: 1.4208546772576525
Energy: 1.4876217955252349
Energy: 1.420854677258806
Energy: 1.487621795525812
Energy: 1.4070470965515467
Energy: 1.4997760875054598
Energy: 1.407047096553277
Energy: 1.499776087504883
Energy: 1.407047096553277
Energy: 1.4997760875037294
Energy: 1.5187967506985314
Energy: 1.413585133385634
Energy: 1.5187967506996587
Energy: 1.4135851333844804
Energy: 1.5187967506996587
Energy: 1.4135851333850573
Energy: 1.498493420036529
Energy: 1.4029433784177596
Energy: 1.498493420037106
Energy: 1.4029433784183365
Energy: 1.498493420036529
Energy: 1.4029433784177596
Energy: 1.4242914004384544
Energy: 1.5025787810059297
Energy: 1.4242914004390315
Energy: 1.5025787810065063
Energy: 1.4242914004384544
Energy: 1.5025787810065063
Energy: 1.4843303112643587
Energy: 1.4367748226185277
Energy: 1.4843303112626283
Energy: 1.4367748226185277
Energy: 1.4843303112614743
Energy: 1.4367748226185277
Energy: 1.4187023592289016
Energy: 1.5380391933010211
Energy: 1.4187023592283248
Energy: 1.5380391933004445
Energy: 1.4187023592283248
Energy: 1.5380391933004445
Energy: 1.4021204727903367
Energy: 1.4753323970784904
Energy: 1.402120472789183
Energy: 1.4753323970784904
Energy: 1.4021204727903367
Energy: 1.4753323970784904
Energy: 1.495253040522091
Energy: 1.425734269518614
Energy: 1.4952530405192068
Energy: 1.425734269518614
Energy: 1.4952530405209374
Energy: 1.425734269518614
Energy: 1.446833670634024
Energy: 1.4139853565514322
Energy: 1.4468336706351776
Energy: 1.4139853565514322
Energy: 1.4468336706346006
Energy: 1.4139853565514322
Energy: 1.4204775631475073
Energy: 1.5125710781371264
Energy: 1.4204775631475073
Energy: 1.5125710781377033
Energy: 1.420477563148661
Energy: 1.5125710781382802

minimum gb energy = 1.402120472789183 eV
minimum distance =  2.30077672273735 Angstroms
sigma value = 57


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

Energy: 1.5034697188026749
Energy: 1.6852181133621629
Energy: 1.5034697188026749
Energy: 1.6852181133621629
Energy: 1.5034697188026749
Energy: 1.6852181133631892
Energy: 1.5008020762377305
Energy: 1.7705844804967845
Energy: 1.5008020762387573
Energy: 1.7705844804967845
Energy: 1.5008020762387573
Energy: 1.7705844804967845
Energy: 1.6403897440687507
Energy: 1.5327329744242306
Energy: 1.6403897440687507
Energy: 1.5327329744232043
Energy: 1.640389744066698
Energy: 1.5327329744232043
Energy: 1.4902905912121118
Energy: 1.6178810292561847
Energy: 1.4902905912182707
Energy: 1.6178810292561847
Energy: 1.490290591214165
Energy: 1.6178810292561847
Energy: 1.6403655974786033
Energy: 1.5326059822834524
Energy: 1.6403655974775768
Energy: 1.532605982282426
Energy: 1.6403655974765503
Energy: 1.532605982282426
Energy: 1.5008092115022555
Energy: 1.768704474940439
Energy: 1.500809211501229
Energy: 1.7687044749394125
Energy: 1.5008092115022555
Energy: 1.6554056209909933
Energy: 1.5034697188016484
Energy: 1.6852181133631892
Energy: 1.503469718800622
Energy: 1.6852181133621629
Energy: 1.5034697188026749
Energy: 1.6852181133631892
Energy: 1.5008020762397836
Energy: 1.7705844804978108
Energy: 1.5008020762408099
Energy: 1.7705844804978108
Energy: 1.5008020762408099
Energy: 1.7705844804978108
Energy: 1.6403897440687507
Energy: 1.5327329744262839
Energy: 1.6403897440697768
Energy: 1.5327329744262839
Energy: 1.640389744066698
Energy: 1.5327329744262839
Energy: 1.4902905912131383
Energy: 1.690323172213168
Energy: 1.4902905912069797
Energy: 1.6903231722141947
Energy: 1.4902905912121118
Energy: 1.6903231722141947
Energy: 1.6403655974796298
Energy: 1.5326059822834524
Energy: 1.6403655974786033
Energy: 1.532605982282426
Energy: 1.6403655974775768
Energy: 1.5326059822834524
Energy: 1.500809211501229
Energy: 1.7687044749394125
Energy: 1.500809211501229
Energy: 1.768704474938386
Energy: 1.500809211501229
Energy: 1.7687044749373595
Energy: 1.5034697188026749
Energy: 1.6852181133611364
Energy: 1.5034697188026749
Energy: 1.6852181133621629
Energy: 1.5034697188037014
Energy: 1.6852181133621629
Energy: 1.5008020762387573
Energy: 1.7705844804978108
Energy: 1.5008020762387573
Energy: 1.7705844804967845
Energy: 1.5008020762387573
Energy: 1.7705844804967845
Energy: 1.6403897440687507
Energy: 1.5327329744232043
Energy: 1.6403897440677242
Energy: 1.5327329744221778
Energy: 1.640389744066698
Energy: 1.5327329744232043
Energy: 1.4902905912131383
Energy: 1.6903231722121417
Energy: 1.490290591223403
Energy: 1.6903231722121417
Energy: 1.4902905912121118
Energy: 1.6903231722121417
Energy: 1.6403655974786033
Energy: 1.5326059822834524
Energy: 1.6403655974775768
Energy: 1.5326059822834524
Energy: 1.6403655974775768
Energy: 1.5326059822834524

minimum gb energy = 1.4902905912069797 eV
minimum distance =  2.30720598279956 Angstroms
sigma value = 9


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

Energy: 1.5607379839172177
Energy: 1.5823581470357373
Energy: 1.5607379839172177
Energy: 1.5823581470357373
Energy: 1.5607379839180557
Energy: 1.5823581470348995
Energy: 1.5856106681967195
Energy: 1.5714578798530823
Energy: 1.5856106681983955
Energy: 1.5714578798539207
Energy: 1.5856106681967195
Energy: 1.5714578798539207
Energy: 1.649109881975682
Energy: 1.5416806770509668
Energy: 1.6491098819731678
Energy: 1.541680677052643
Energy: 1.6491098819748442
Energy: 1.541680677051805
Energy: 1.5051826498028427
Energy: 1.6771616897515054
Energy: 1.5051826498028427
Energy: 1.6771616897506674
Energy: 1.5051826498028427
Energy: 1.6771616897506674
Energy: 1.5815043734224032
Energy: 1.5409629164932814
Energy: 1.5815043734224032
Energy: 1.5409629164924816
Energy: 1.5815043734224032
Energy: 1.5409629164924816
Energy: 1.621286191611104
Energy: 1.5202466588309669
Energy: 1.62128619161278
Energy: 1.5202466588318049
Energy: 1.6212861916152945
Energy: 1.5202466588309669
Energy: 1.5016491186692924
Energy: 1.6340768168982767
Energy: 1.5016491186701306
Energy: 1.634076816899115
Energy: 1.5016491186692924
Energy: 1.6340768168974387
Energy: 1.4979646131415478
Energy: 1.621109981384185
Energy: 1.4979646131423858
Energy: 1.6211099813850232
Energy: 1.4979646131423858
Energy: 1.6211099813850232
Energy: 1.6735343193605758
Energy: 1.540622105225724
Energy: 1.6735343193580996
Energy: 1.5406221052282385
Energy: 1.6735343193622518
Energy: 1.5406221052282385
Energy: 1.5051933303747929
Energy: 1.6117789573645458
Energy: 1.505193330375631
Energy: 1.6117789573645458
Energy: 1.5051933303747929
Energy: 1.611778957363708
Energy: 1.5912670186225908
Energy: 1.5873087489473168
Energy: 1.5324817532197348
Energy: 1.587308748948155
Energy: 1.6414790848149603
Energy: 1.5873087489473168
Energy: 1.6450415257602187
Energy: 1.5201019007710288
Energy: 1.6450415257585425
Energy: 1.5201019007735432
Energy: 1.6450415257577047
Energy: 1.5201019007710288
Energy: 1.4992152062663588
Energy: 1.6515924073079895
Energy: 1.4992152062630066
Energy: 1.6515924073079895
Energy: 1.4992152062646829
Energy: 1.6515924073079895
Energy: 1.5804010440666374
Energy: 1.6241261457626546
Energy: 1.5804010440649614
Energy: 1.6241261457626546
Energy: 1.5804010440657992
Energy: 1.6241261457626546
Energy: 1.6897299560341656
Energy: 1.517523024607954
Energy: 1.689729956030813
Energy: 1.517523024607954
Energy: 1.6897299560333272
Energy: 1.517523024607954
Energy: 1.5576106815836663
Energy: 1.6499166201236057
Energy: 1.5576106815803137
Energy: 1.6499166201236057
Energy: 1.5576106815853423
Energy: 1.649916620124444
Energy: 1.5567424901985747
Energy: 1.6604691583710336
Energy: 1.5567424901910318
Energy: 1.6604691583710336
Energy: 1.5567424901968987
Energy: 1.6604691583727096
Energy: 1.7949659216504799
Energy: 1.5200813943239757
Energy: 1.7949659216479656
Energy: 1.5200813943222995
Energy: 1.794965921651318
Energy: 1.5200813943222995
Energy: 1.523593388441921
Energy: 1.6357408654775447
Energy: 1.5235933884402448
Energy: 1.6357408654783825
Energy: 1.5235933884402448
Energy: 1.6357408654792207
Energy: 1.5493321873468842
Energy: 1.5672118312227212
Energy: 1.5493321873468842
Energy: 1.5672118312227212
Energy: 1.5493321873452077
Energy: 1.5672118312227212
Energy: 1.640785707048835
Energy: 1.525449176032363
Energy: 1.640785707050511
Energy: 1.5254491760340392
Energy: 1.6407857070513492
Energy: 1.525449176033201

minimum gb energy = 1.4979646131415478 eV
minimum distance =  2.31302413050744 Angstroms
sigma value = 27


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

Energy: 1.544333412283373
Energy: 1.558120775139638
Energy: 1.5443334122904375
Energy: 1.558120775139638
Energy: 1.544333412292557
Energy: 1.558120775139638
Energy: 1.5132971835976734
Energy: 1.5360849866075061
Energy: 1.5132971835962603
Energy: 1.5360849866039739
Energy: 1.5132971835962603
Energy: 1.5360849866089192
Energy: 1.5975739874756207
Energy: 1.532786448286922
Energy: 1.597573987476327
Energy: 1.532786448286922
Energy: 1.5975739874770334
Energy: 1.532786448286922
Energy: 1.5684411388369686
Energy: 1.6017387931853928
Energy: 1.5684411388376749
Energy: 1.6017387931853928
Energy: 1.5684411388376749
Energy: 1.6017387931860991
Energy: 1.5325853267522296
Energy: 1.533703077948979
Energy: 1.5325853267465779
Energy: 1.5337030779496856
Energy: 1.5325853267501102
Energy: 1.5337030779496856
Energy: 1.5589239212170056
Energy: 1.5378706415162542
Energy: 1.5589239212141797
Energy: 1.5378706415183736
Energy: 1.558923921219125
Energy: 1.5378706415155474
Energy: 1.5432971978429155
Energy: 1.5126095713439027
Energy: 1.5432971978429155
Energy: 1.5126095713439027
Energy: 1.5432971978443286
Energy: 1.5126095713460221
Energy: 1.5983955106719057
Energy: 1.5952510464093559
Energy: 1.5983955106761445
Energy: 1.5952510464121819
Energy: 1.5983955106803833
Energy: 1.5952510464100622
Energy: 1.5110131741526327
Energy: 1.5366379652626916
Energy: 1.5110131741519262
Energy: 1.5366379652619853
Energy: 1.5110131741519262
Energy: 1.5366379652612785
Energy: 1.5344394257823262
Energy: 1.5151996290308292
Energy: 1.5344394257795
Energy: 1.5151996290315357
Energy: 1.534439425780913
Energy: 1.515199629032242
Energy: 1.5340380137759428
Energy: 1.5150398752824394
Energy: 1.5340380137830076
Energy: 1.5150398752824394
Energy: 1.5340380137808882
Energy: 1.5150398752824394
Energy: 1.5110822156695822
Energy: 1.5375446443885938
Energy: 1.5110822156702888
Energy: 1.537544644387181
Energy: 1.5110822156688757
Energy: 1.5375446443885938
Energy: 1.5985510302893762
Energy: 1.5942465866580113
Energy: 1.5985510302900827
Energy: 1.5942465866544788
Energy: 1.598551030292202
Energy: 1.5942465866580113
Energy: 1.5432878504299559
Energy: 1.5130501444188795
Energy: 1.5432878504292815
Energy: 1.5130501444188795
Energy: 1.5432878504292815
Energy: 1.5130501444188795
Energy: 1.5589088550212373
Energy: 1.5378366934614127
Energy: 1.5589088550212373
Energy: 1.5378366934564673
Energy: 1.5589088550205308
Energy: 1.5378366934592933
Energy: 1.5345258485997113
Energy: 1.5336764239307503
Energy: 1.5345258486004176
Energy: 1.5336764239314566
Energy: 1.5345258486060693
Energy: 1.533676423932163
Energy: 1.5684563123916286
Energy: 1.6014592973741755
Energy: 1.5684563123930417
Energy: 1.6014592973741755
Energy: 1.5684563123916286
Energy: 1.6014592973741755
Energy: 1.5975532849846064
Energy: 1.5327969461949429
Energy: 1.5975532849839
Energy: 1.5327969461956497
Energy: 1.5975532849846064
Energy: 1.5327969461949429
Energy: 1.5132850465009668
Energy: 1.5360876113959256
Energy: 1.5132850465009668
Energy: 1.5360876113930997
Energy: 1.5132850465002603
Energy: 1.5360876113909803
Energy: 1.5443334122890244
Energy: 1.5581207751403445
Energy: 1.544333412289731
Energy: 1.5581207751403445
Energy: 1.544333412292557
Energy: 1.558120775141051
Energy: 1.5132971835969669
Energy: 1.5360849866046804
Energy: 1.5132971835962603
Energy: 1.5360849865983222
Energy: 1.5132971835962603
Energy: 1.5360849865969093
Energy: 1.597573987474946
Energy: 1.532786448286922
Energy: 1.5975739874756207
Energy: 1.532786448286922
Energy: 1.5975739874770334
Energy: 1.532786448286922
Energy: 1.5684411388369686
Energy: 1.6017387931860991
Energy: 1.5684411388383812
Energy: 1.6017387931860991
Energy: 1.5684411388362618
Energy: 1.6017387931860991
Energy: 1.5325853267585878
Energy: 1.533703077948979
Energy: 1.532585326751523
Energy: 1.5337030779496856
Energy: 1.532585326751523
Energy: 1.5337030779496856
Energy: 1.5589239212148862
Energy: 1.53787064151908
Energy: 1.5589239212148862
Energy: 1.53787064151908
Energy: 1.5589239212184185
Energy: 1.5378706415183736

minimum gb energy = 1.5110131741519262 eV
minimum distance =  2.32358988964152 Angstroms
sigma value = 19


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

Energy: 1.5594899056491092
Energy: 1.5250120719367923
Energy: 1.5594899056503286
Energy: 1.525012071934963
Energy: 1.5594899056582288
Energy: 1.5250120719361824
Energy: 1.5216335968347596
Energy: 1.5147821161409671
Energy: 1.5216335968347596
Energy: 1.5147821161409671
Energy: 1.5216335968353696
Energy: 1.5147821161403576
Energy: 1.547090238608119
Energy: 1.4972307039026038
Energy: 1.5470902386075092
Energy: 1.4972307039032133
Energy: 1.5470902386075092
Energy: 1.4972307039026038
Energy: 1.501088861347586
Energy: 1.533309510328767
Energy: 1.501088861346366
Energy: 1.533309510328157
Energy: 1.501088861347586
Energy: 1.533309510328157
Energy: 1.507577193107379
Energy: 1.5428330305870523
Energy: 1.5075771931055495
Energy: 1.542833030587662
Energy: 1.50757719310372
Energy: 1.542833030587662
Energy: 1.543121113113333
Energy: 1.5156430584697511
Energy: 1.5431211131145528
Energy: 1.5156430584697511
Energy: 1.543121113113333
Energy: 1.5156430584685314
Energy: 1.4975192171688232
Energy: 1.5275588544813072
Energy: 1.4975192171688232
Energy: 1.5275588544800875
Energy: 1.4975192171682132
Energy: 1.5275588544782581
Energy: 1.5072280650531764
Energy: 1.538877590798373
Energy: 1.507228065051347
Energy: 1.538877590798373
Energy: 1.5072280650519567
Energy: 1.5388775907995929
Energy: 1.600100107280701
Energy: 1.4964154292093026
Energy: 1.6001001072794814
Energy: 1.4964154292086926
Energy: 1.600100107281311
Energy: 1.4964154292080831
Energy: 1.5213333042638875
Energy: 1.5285821546956413
Energy: 1.5213333042638875
Energy: 1.5285821546956413
Energy: 1.5213333042638875
Energy: 1.5285821546956413
Energy: 1.5013935295948124
Energy: 1.5867406468598242
Energy: 1.5013935295954222
Energy: 1.5867406468610439
Energy: 1.5013935295948124
Energy: 1.586740646860434
Energy: 1.5580515363390912
Energy: 1.4996779712432575
Energy: 1.5580515363390912
Energy: 1.4996779712432575
Energy: 1.5580515363397012
Energy: 1.4996779712432575
Energy: 1.499577306851171
Energy: 1.5155695172123336
Energy: 1.4995773068499514
Energy: 1.5155695172117238
Energy: 1.4995773068499514
Energy: 1.515569517211114
Energy: 1.500392811326907
Energy: 1.5272440822775963
Energy: 1.5003928113281266
Energy: 1.527244082278206
Energy: 1.500392811326907
Energy: 1.527244082278816
Energy: 1.5425870027809883
Energy: 1.4970334812523036
Energy: 1.5425870027840372
Energy: 1.4970334812523036
Energy: 1.542587002781598
Energy: 1.4970334812523036
Energy: 1.561382733446825
Energy: 1.489502098532985
Energy: 1.5613827334462151
Energy: 1.4895020985220082
Energy: 1.561382733446825
Energy: 1.489502098528716
Energy: 1.502588912177717
Energy: 1.5603798903754766
Energy: 1.5025889121795466
Energy: 1.5603798903754766
Energy: 1.5025889121783267
Energy: 1.5603798903760866
Energy: 1.5588510528571284
Energy: 1.5287059230677977
Energy: 1.5588510528559087
Energy: 1.5287059230677977
Energy: 1.5588510528571284
Energy: 1.5287059230677977
Energy: 1.5574788242649888
Energy: 1.5175147304889998
Energy: 1.5574788242643791
Energy: 1.5175147304889998
Energy: 1.5574788242643791
Energy: 1.51751473048839
Energy: 1.4995112796534418
Energy: 1.5258414861006644
Energy: 1.4995112796552712
Energy: 1.5258414860988352
Energy: 1.4995112796540515
Energy: 1.5258414860988352
Energy: 1.4917835293925932
Energy: 1.5651056864038515
Energy: 1.4917835293925932
Energy: 1.5651056864050712
Energy: 1.4917835293925932
Energy: 1.5651056864050712
Energy: 1.6026778607358334
Energy: 1.487482690666365
Energy: 1.6026778607382726
Energy: 1.4874826906669745
Energy: 1.6026778594064126
Energy: 1.4874826906669745
Energy: 1.5370402410942936
Energy: 1.5382971608219136
Energy: 1.5370402410930741
Energy: 1.5382971608219136
Energy: 1.5370402410936836
Energy: 1.5382971608219136
Energy: 1.5392019616371084
Energy: 1.5308402558311218
Energy: 1.5392019616377182
Energy: 1.5308402558347807
Energy: 1.5392019616364987
Energy: 1.5308402558341712
Energy: 1.5217132246791523
Energy: 1.496514145988671
Energy: 1.5217132246785428
Energy: 1.4965141459892808
Energy: 1.521713224677323
Energy: 1.4965141459892808
Energy: 1.5202577398350483
Energy: 1.5085424930117386
Energy: 1.5202577398350483
Energy: 1.5085424930123486
Energy: 1.5202577398344383
Energy: 1.5085424930129583
Energy: 1.4936935686953106
Energy: 1.5678901881199732
Energy: 1.4936935686953106
Energy: 1.5678901881193636
Energy: 1.4936935686947006
Energy: 1.5678901881181437
Energy: 1.5369558750235373
Energy: 1.5120925832978833
Energy: 1.536955875024757
Energy: 1.512092583302152
Energy: 1.5369558750235373
Energy: 1.5120925832978833
Energy: 1.491523507003488
Energy: 1.5207873007007435
Energy: 1.4915235070028783
Energy: 1.5207873007001338
Energy: 1.4915235070022683
Energy: 1.5207873007001338

minimum gb energy = 1.487482690666365 eV
minimum distance =  2.27515087605475 Angstroms
sigma value = 101


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

Energy: 1.5265015629042755
Energy: 1.4927764253026345
Energy: 1.5265015629042755
Energy: 1.4927764253026345
Energy: 1.52650156290642
Energy: 1.4927764253026345
Energy: 1.4899500802727912
Energy: 1.456055032348808
Energy: 1.4899500802727912
Energy: 1.4560550323455916
Energy: 1.4899500802738632
Energy: 1.456055032348808
Energy: 1.4837474935300226
Energy: 1.465000245966277
Energy: 1.4837474935268062
Energy: 1.465000245966277
Energy: 1.4837474935289505
Energy: 1.465000245965741
Energy: 1.4418251972802456
Energy: 1.5743403204548356
Energy: 1.4418251972791738
Energy: 1.485651943542842
Energy: 1.4418251972791738
Energy: 1.4856519435423061
Energy: 1.4550070022771988
Energy: 1.4733825457427852
Energy: 1.4550070022761268
Energy: 1.4733825457433214
Energy: 1.4550070022745185
Energy: 1.4733825457427852
Energy: 1.459513711017081
Energy: 1.462381775157528
Energy: 1.459513711017617
Energy: 1.4623817751580641
Energy: 1.459513711017081
Energy: 1.4623817751505837
Energy: 1.4554594138836197
Energy: 1.4945602309661015
Energy: 1.4554594138836197
Energy: 1.4945602309661015
Energy: 1.4554594138836197
Energy: 1.4945602309666375
Energy: 1.450196329048291
Energy: 1.5773087245290245
Energy: 1.4501963290488271
Energy: 1.486014388846567
Energy: 1.450196329047755
Energy: 1.486014388846567
Energy: 1.460381146695235
Energy: 1.4588699010323611
Energy: 1.460381146697915
Energy: 1.458869901031825
Energy: 1.460381146697915
Energy: 1.458869901031825
Energy: 1.4708936213998987
Energy: 1.4628683898283807
Energy: 1.4708936213972184
Energy: 1.4778038683679129
Energy: 1.4708936213982904
Energy: 1.477803868368449
Energy: 1.454347985089789
Energy: 1.6654116305309026
Energy: 1.454347985089789
Energy: 1.665411630533047
Energy: 1.454347985089789
Energy: 1.6654116305319748
Energy: 1.4991397461179343
Energy: 1.4555177378411341
Energy: 1.4991397461168623
Energy: 1.4555177378411341
Energy: 1.4991397461173983
Energy: 1.4555177378405983
Energy: 1.4452437274216043
Energy: 1.463169645620102
Energy: 1.4452437274210683
Energy: 1.4631696456179577
Energy: 1.4452437274210683
Energy: 1.4631696456184937
Energy: 1.4735058860675467
Energy: 1.5761924823252895
Energy: 1.473505886068619
Energy: 1.5146587581939341
Energy: 1.473505886068083
Energy: 1.514658758193398
Energy: 1.4697617498147455
Energy: 1.4687924945991102
Energy: 1.4697617498142097
Energy: 1.4687924945991102
Energy: 1.4697617498152817
Energy: 1.4687924945991102
Energy: 1.4845580119770811
Energy: 1.462695392591917
Energy: 1.4845580119760091
Energy: 1.462695392591381
Energy: 1.4845580119765451
Energy: 1.4626953925924533
Energy: 1.4415481183472445
Energy: 1.5086767872587707
Energy: 1.4415481183472445
Energy: 1.5086767872587707
Energy: 1.4415481183472445
Energy: 1.508676787260379
Energy: 1.4483718281678957
Energy: 1.4646896441096053
Energy: 1.4483718281684073
Energy: 1.4646896441021005
Energy: 1.4483718281678957
Energy: 1.4646896440999562
Energy: 1.459214045078329
Energy: 1.4592678858678838
Energy: 1.459214045078329
Energy: 1.4592678858678838
Energy: 1.459214045077257
Energy: 1.4592678858684198
Energy: 1.471460594451653
Energy: 1.4590795717443086
Energy: 1.4714605944489727
Energy: 1.4590795717453806
Energy: 1.471460594451653
Energy: 1.4590795717443086
Energy: 1.450556346525162
Energy: 1.6380101205976967
Energy: 1.45055634652409
Energy: 1.638010120599305
Energy: 1.45055634652409
Energy: 1.638010120598233
Energy: 1.526446263200444
Energy: 1.4562993433866
Energy: 1.526446263200444
Energy: 1.4562993433871363
Energy: 1.52644626320098
Energy: 1.4562993433866
Energy: 1.5181622132918278
Energy: 1.4630100771996148
Energy: 1.518162213293972
Energy: 1.463010077201759
Energy: 1.5181622132923638
Energy: 1.4630100772001506
Energy: 1.44201936803684
Energy: 1.600974840389333
Energy: 1.44201936803684
Energy: 1.600974840390405
Energy: 1.442019368035768
Energy: 1.600974840391477
Energy: 1.4990868543696367
Energy: 1.4682096893628995
Energy: 1.4990868543685645
Energy: 1.4682096893628995
Energy: 1.4990868543701725
Energy: 1.4682096893628995
Energy: 1.4468168565752062
Energy: 1.463083212998744
Energy: 1.446816856574134
Energy: 1.463083212998744
Energy: 1.4468168565746702
Energy: 1.463083212997672
Energy: 1.4756491378629595
Energy: 1.520644769890508
Energy: 1.4756491378645678
Energy: 1.520644769890508
Energy: 1.4756491378629595
Energy: 1.520644769891044
Energy: 1.4753171487308412
Energy: 1.4675900256326222
Energy: 1.4753171487308412
Energy: 1.4675900256342302
Energy: 1.4753171487308412
Energy: 1.467590025633158
Energy: 1.6030331536345177
Energy: 1.4583007633270773
Energy: 1.60303315363559
Energy: 1.4583007633265412
Energy: 1.6030331536345177
Energy: 1.4583007633270773
Energy: 1.4469564788229983
Energy: 1.4852047270539375
Energy: 1.4469564788246063
Energy: 1.4852047270534015
Energy: 1.446956478823534
Energy: 1.4852047270534015
Energy: 1.4502229040671244
Energy: 1.4804962937065398
Energy: 1.4502229040671244
Energy: 1.4804962937060038
Energy: 1.4502229040671244
Energy: 1.4804962937065398
Energy: 1.5275546910394528
Energy: 1.455043290817576
Energy: 1.5275546910437414
Energy: 1.455043290816504
Energy: 1.5275546910394528
Energy: 1.455043290816504
Energy: 1.5220903640994732
Energy: 1.4611020732328748
Energy: 1.5220903641000094
Energy: 1.4611020732323385
Energy: 1.5220903641000094
Energy: 1.4611020732323385

minimum gb energy = 1.4415481183472445 eV
minimum distance =  2.28147470790707 Angstroms
sigma value = 33


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

Energy: 0.015550135743580811
Energy: 0.9176302467974757
Energy: 0.015550135743580811
Energy: 0.9176302467970304
Energy: 0.015550135743135421
Energy: 0.9176302467987871
Energy: 0.016259824726366685
Energy: 0.28452585298291533
Energy: 0.01625982472592129
Energy: 0.28452585298291533
Energy: 0.01625982472592129
Energy: 0.28452585298246996
Energy: 0.9177592846328626
Energy: 0.284606460678158
Energy: 0.9177601583739824
Energy: 0.28460651315320384
Energy: 0.917759312878643
Energy: 0.284606737991096
Energy: 0.016259824726366685
Energy: 0.284525852983336
Energy: 0.016259824726787327
Energy: 0.28452585298246996
Energy: 0.016259824726787327
Energy: 0.28452585298246996

minimum gb energy = 0.015550135743135421 eV
minimum distance =  2.53491439177184 Angstroms
sigma value = 1