Model name: model_name=EAM_Dynamo_MendelevKramerBecker_2008_Al__MO_106969701023_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.045259781181812
cohesive_energy=3.410925190644327
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.2851044242424998e-19, 2.93496328875924e-19, 3.3659488033052395e-19, 3.70210148288478e-19, 3.9732698781892794e-19, 4.1837798661305396e-19, 4.35067860609432e-19, 4.48878623194512e-19, 4.60670643220752e-19, 4.711600936435499e-19, 4.80906134108172e-19, 4.902932870067779e-19, 4.994705547663299e-19, 5.08244074014114e-19, 5.16319044249474e-19, 5.2347436509691795e-19, 5.295866689556279e-19, 5.34623912292924e-19, 5.38621342994754e-19, 5.4166387642272e-19, 5.43860460587934e-19, 5.45329656561312e-19, 5.46172401470796e-19, 5.46447975851844e-19, 5.461403579381159e-19, 5.45103749655918e-19, 5.43109039746588e-19, 5.3983739505996e-19, 5.348866692608999e-19, 5.27926813962804e-19, 5.19007496641326e-19, 5.088512989584e-19, 4.98888964648188e-19, 4.89602748877524e-19, 4.71759307704666e-19, 3.9299790655386e-19, 4.464048624716159e-20, -1.300267275618942e-18, -6.01386612631704e-18, -2.1597661461646797e-17, -7.15343027901588e-17, -2.29779366318378e-16, -7.338738028504319e-16, -2.37200648487066e-15, -7.88097868851528e-15, -2.73454701361218e-14, -1.00828179930888e-13, -4.03400839438422e-13, -1.79889188112252e-12, -9.27041830905276e-12, -5.8080184723807196e-11, -4.771842777873899e-10, -5.8266838301668195e-09, -1.322801889976152e-07]
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: 0.01050502348590694
Energy: 0.05146086921166204
Energy: 0.29731734300051876
Energy: 0.05146086921116115
Energy: 0.05146086921116115
Energy: 0.42889000734727833
Energy: 0.05146086921116115
Energy: 0.42889000734727833
Energy: 0.29731734300051876
Energy: 0.05146086921116115
Energy: 0.01050502348590694
Energy: 0.051460869210660266
Energy: 0.05146086921116115
Energy: 0.42889000734777927
Energy: 0.05146086921116115
Energy: 0.42889000734727833

minimum gb energy = 0.01050502348590694 eV
minimum distance =  2.79853237870667 Angstroms
sigma value = 1


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

Energy: 0.6455831900608331
Energy: 0.5147953966074912
Energy: 0.5140324443694062
Energy: 0.5147953966080986
Energy: 0.4781021829575901
Energy: 0.5226628902504027
Energy: 0.47779653653045795
Energy: 0.5226628902504027
Energy: 0.5161435771155195
Energy: 0.5137305494306212
Energy: 0.7055780515792645
Energy: 0.5137305494287989
Energy: 0.47963194732983394
Energy: 0.4779592617332064
Energy: 0.47809607694779827
Energy: 0.4779592617344213
Energy: 0.6028259441245519
Energy: 0.4780576040094213
Energy: 0.47881696013070324
Energy: 0.47805760400881386
Energy: 0.5052495715727707
Energy: 0.5017938384010746
Energy: 0.47834465482451005
Energy: 0.501793838401682
Energy: 0.486546951054331
Energy: 0.48452557333660756
Energy: 0.602370439037426
Energy: 0.48452557333478513
Energy: 0.497671372913244
Energy: 0.48524552286807715
Energy: 0.5364241818691696
Energy: 0.48524552286564726
Energy: 0.5279503602289825
Energy: 0.5411472650848784
Energy: 0.5302865700019276
Energy: 0.5411472650842709
Energy: 0.5356173169258629
Energy: 0.5252550927460644
Energy: 0.5202168720496976
Energy: 0.5252550927430272
Energy: 0.5590933793287659
Energy: 0.5411099335119466
Energy: 0.5286370759382372
Energy: 0.5411099335137689
Energy: 0.4974824512307128
Energy: 0.5397022587524202
Energy: 0.5376944386672643
Energy: 0.5397022587481679
Energy: 0.484976672077858
Energy: 0.509173669034539
Energy: 0.6469993152668524
Energy: 0.5091736690339314
Energy: 0.505585348652632
Energy: 0.4863357725304797
Energy: 0.5050933440427057
Energy: 0.4863357725310872
Energy: 0.6463028127824951
Energy: 0.47758766361320615
Energy: 0.48031929285991654
Energy: 0.4775876636125987
Energy: 0.50762731621809
Energy: 0.4779501609684756
Energy: 0.47789742512131134
Energy: 0.47795016096969056
Energy: 0.5145545468633762
Energy: 0.5144642273301897
Energy: 0.7638865988468097
Energy: 0.5144642273295823
Energy: 0.4783537963572815
Energy: 0.47827747690689726
Energy: 0.4721702700084665
Energy: 0.47827747690628974
Energy: 0.7057266218820378
Energy: 0.5138173338524029
Energy: 0.5176822118917359
Energy: 0.5138173338517955
Energy: 0.5384714830265287
Energy: 0.4774912740784115
Energy: 0.47963940294371366
Energy: 0.4774912740759817
Energy: 0.4807934254496739
Energy: 0.478019309692886
Energy: 0.6031108893411038
Energy: 0.478019309692886
Energy: 0.478252567884976
Energy: 0.4774732281396526
Energy: 0.5053872820947273
Energy: 0.47747322814026005
Energy: 0.6025112901947861
Energy: 0.48498560836788945
Energy: 0.48892135514175455
Energy: 0.4849856083691044
Energy: 0.5349761455635204
Energy: 0.48471281019079315
Energy: 0.49888334782883537
Energy: 0.48471281019322304
Energy: 0.5345961244664226
Energy: 0.5420284087562834
Energy: 0.5279680212089687
Energy: 0.5420284087562834
Energy: 0.5198520197212471
Energy: 0.5257438874992711
Energy: 0.5364550185261433
Energy: 0.5257438874992711
Energy: 0.5283251147847849
Energy: 0.5414875413841528
Energy: 0.5624099376147941
Energy: 0.5414875413841528
Energy: 0.5362421886774497
Energy: 0.5402567437782502
Energy: 0.5267268572984518
Energy: 0.5402567437776425
Energy: 0.5342440961290448
Energy: 0.5092367525821421
Energy: 0.4846222813660532
Energy: 0.5092367525815344
Energy: 0.5051929971417529
Energy: 0.5069988990684541
Energy: 0.5059014506311007
Energy: 0.5069988990696691
Energy: 0.47987984341132384
Energy: 0.4775226545115744
Energy: 0.6482943744724202
Energy: 0.4775226545127893
Energy: 0.47778927663778215
Energy: 0.47780746845206296
Energy: 0.5076339152591405
Energy: 0.477807468450848
Energy: 0.4822311638606942
Energy: 0.5136849324272066
Energy: 0.5142057890784449
Energy: 0.5136849324278141

minimum gb energy = 0.4721702700084665 eV
minimum distance =  2.55311471141651 Angstroms
sigma value = 1


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

Energy: 0.7423652203958568
Energy: 0.5349104896236528
Energy: 0.533402758373196
Energy: 0.5349104896181119
Energy: 0.49417465505151076
Energy: 0.5415467289027851
Energy: 0.4963008961331269
Energy: 0.5415467288944736
Energy: 0.5351533926731087
Energy: 0.5337906703797134
Energy: 0.6795744975158521
Energy: 0.5337906703859471
Energy: 0.49658596503793767
Energy: 0.4961002330021758
Energy: 0.4963142146171376
Energy: 0.4961002330063001
Energy: 0.6797220591231601
Energy: 0.4965502540183527
Energy: 0.4954843175756074
Energy: 0.49655025401973796
Energy: 0.5283584995092236
Energy: 0.4942151811363017
Energy: 0.49645940997303184
Energy: 0.4942151811363017
Energy: 0.5105440482075336
Energy: 0.5331034047824885
Energy: 0.5729512422646869
Energy: 0.5331034047831813
Energy: 0.5213702732147414
Energy: 0.5095432465200499
Energy: 0.5600051134253393
Energy: 0.5095432465255909
Energy: 0.5731233436848745
Energy: 0.5673469241514231
Energy: 0.5308098126150679
Energy: 0.5673469241493453
Energy: 0.5589662963935361
Energy: 0.5653603059794449
Energy: 0.5199236933491437
Energy: 0.5653603059787523
Energy: 0.6168643886571391
Energy: 0.5328661475030018
Energy: 0.5105892390906195
Energy: 0.5328661474995386
Energy: 0.5269062119919351
Energy: 0.5334824827193453
Energy: 0.5283084003761236
Energy: 0.533482482720038
Energy: 0.49732382374856676
Energy: 0.4942214412731395
Energy: 0.6157928889871577
Energy: 0.4942214412752174
Energy: 0.49431016212123197
Energy: 0.494347378652226
Energy: 0.5285238770078531
Energy: 0.49434737865776696
Energy: 0.7418655529912191
Energy: 0.5350316143883768
Energy: 0.532704588311158
Energy: 0.5350316143890693
Energy: 0.48990457303900736
Energy: 0.49455579232310093
Energy: 0.4966633688107532
Energy: 0.49455579233002706
Energy: 0.5355924406818985
Energy: 0.5338965580857048
Energy: 0.6795421517342662
Energy: 0.5338965580836269
Energy: 0.5341144657287293
Energy: 0.49421618781222004
Energy: 0.5639978730377396
Energy: 0.4942161878198389
Energy: 0.679667434101909
Energy: 0.4965929429443913
Energy: 0.4964331584033285
Energy: 0.49659294294369866
Energy: 0.5284735632467538
Energy: 0.4946161378365321
Energy: 0.49651345723976364
Energy: 0.4946161378358394
Energy: 0.5125273981576229
Energy: 0.5329837576233986
Energy: 0.5731732774034504
Energy: 0.5329837576171649
Energy: 0.5202796603564115
Energy: 0.5332446712995335
Energy: 0.5598831903187766
Energy: 0.5332446712939926
Energy: 0.5732308109494941
Energy: 0.5673334757718708
Energy: 0.5324414767218801
Energy: 0.5673334757691002
Energy: 0.5599648907903721
Energy: 0.5678271359795565
Energy: 0.5533402134221894
Energy: 0.5678271359809417
Energy: 0.6205943841104223
Energy: 0.5326703456741567
Energy: 0.5103563153957535
Energy: 0.5326703456686157
Energy: 0.526926730854942
Energy: 0.5336665099706843
Energy: 0.5290078818052082
Energy: 0.5336665099720695
Energy: 0.49680342786747556
Energy: 0.4942038591067933
Energy: 0.6186785329900658
Energy: 0.4942038591061007
Energy: 0.49499207791572614
Energy: 0.49456842996420136
Energy: 0.5286938641091886
Energy: 0.49456842996281614
Energy: 0.49746005398405946
Energy: 0.534832142088333
Energy: 0.5332902244694295
Energy: 0.534832142082792

minimum gb energy = 0.48990457303900736 eV
minimum distance =  2.54641691885291 Angstroms
sigma value = 25


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

Energy: 0.7089308104192584
Energy: 0.5536518687696694
Energy: 0.5544224980961208
Energy: 0.5536518687688643
Energy: 0.5134184627396882
Energy: 0.5606953010713256
Energy: 0.5138537388839984
Energy: 0.5606953010721307
Energy: 0.5542580352611973
Energy: 0.5539194681675689
Energy: 0.6426433516545382
Energy: 0.5539194681675689
Energy: 0.5163971187092642
Energy: 0.592949860289536
Energy: 0.5137608542953269
Energy: 0.5929498602887308
Energy: 0.6436216885794666
Energy: 0.5133883882669552
Energy: 0.5142756971121506
Energy: 0.5133883882669552
Energy: 0.555456817902836
Energy: 0.5136537817879252
Energy: 0.5132031701751509
Energy: 0.5136537817895355
Energy: 0.5457715681071643
Energy: 0.5621530243069022
Energy: 0.5442337700755508
Energy: 0.5621530243069022
Energy: 0.52987622868074
Energy: 0.5620795455285915
Energy: 0.5863334284110817
Energy: 0.5620795455302019
Energy: 0.5441288299489737
Energy: 0.5619756405255059
Energy: 0.5786011744861493
Energy: 0.5619756405263111
Energy: 0.5550640095287519
Energy: 0.5622602143359442
Energy: 0.5134143735324911
Energy: 0.5622602143359442
Energy: 0.7096274625597759
Energy: 0.513008074871112
Energy: 0.5132372468112242
Energy: 0.513008074871112
Energy: 0.5507517725021369
Energy: 0.5131216066972832
Energy: 0.5136936393588625
Energy: 0.5131216066964782
Energy: 0.5536712060336454
Energy: 0.5535721754305996
Energy: 0.7087339943785576
Energy: 0.5535721754305996
Energy: 0.513412165533278
Energy: 0.5166169332763376
Energy: 0.5108168299475606
Energy: 0.5166169332771428
Energy: 0.6428305877396364
Energy: 0.5541658970216943
Energy: 0.5562730425632573
Energy: 0.5541658970216943
Energy: 0.5892344527920437
Energy: 0.5932368621755911
Energy: 0.5548840729471473
Energy: 0.593236862174786
Energy: 0.5137849432556213
Energy: 0.5134371300573262
Energy: 0.6436399304882191
Energy: 0.5134371300589364
Energy: 0.5135493260050958
Energy: 0.5135078276124578
Energy: 0.5556300304462496
Energy: 0.5135078276124578
Energy: 0.5442477707013926
Energy: 0.5622289722039727
Energy: 0.5508098880463155
Energy: 0.5622289722031675
Energy: 0.5877062860521178
Energy: 0.5622124206684307
Energy: 0.5587302637679302
Energy: 0.5622124206668204
Energy: 0.5829039539712824
Energy: 0.5619601830502756
Energy: 0.5448935735009639
Energy: 0.5619601830502756
Energy: 0.5105687549769684
Energy: 0.5635108133815295
Energy: 0.5552494539502469
Energy: 0.5635108133823347
Energy: 0.5127347315228792
Energy: 0.5131009041950274
Energy: 0.5130664512574061
Energy: 0.5131009041958325
Energy: 0.5133870349888039
Energy: 0.5168487285428143
Energy: 0.550038256645791
Energy: 0.5168487285428143
Energy: 0.5111920002967354
Energy: 0.5542581866487764
Energy: 0.5544010009148657
Energy: 0.5542581866487764

minimum gb energy = 0.5105687549769684 eV
minimum distance =  2.538310168618 Angstroms
sigma value = 9


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

Energy: 0.7131469547497703
Energy: 0.5819494413969654
Energy: 0.5831518124603534
Energy: 0.5819494413969654
Energy: 0.5825662743524495
Energy: 0.5877435598572643
Energy: 0.5626883028829381
Energy: 0.5877435598563039
Energy: 0.5828850530440394
Energy: 0.5822727477653398
Energy: 0.8220456253431572
Energy: 0.5822727477653398
Energy: 0.5825486281346933
Energy: 0.5878613949159096
Energy: 0.5488996063377722
Energy: 0.5878613949149492
Energy: 0.6306504124612053
Energy: 0.5485003226791377
Energy: 0.5485589611441725
Energy: 0.5485003226781773
Energy: 0.6049999096511497
Energy: 0.5492023251120648
Energy: 0.5488087921381989
Energy: 0.5492023251120648
Energy: 0.57144745802048
Energy: 0.6002868982691236
Energy: 0.6208886294159808
Energy: 0.6002868982700842
Energy: 0.5776785215900971
Energy: 0.5981083747361249
Energy: 0.6174427570072413
Energy: 0.5981083747351644
Energy: 0.5591758126791806
Energy: 0.5595078778314178
Energy: 0.7138787836853816
Energy: 0.5595078778294967
Energy: 0.5593062748826171
Energy: 0.5392689270656653
Energy: 0.5409094419951915
Energy: 0.5392689270637443
Energy: 0.6587664604773897
Energy: 0.535107086358065
Energy: 0.5353236471155686
Energy: 0.5351070863571045
Energy: 0.5392621827272477
Energy: 0.5222730292572498
Energy: 0.5348494643580508
Energy: 0.5222730292562894
Energy: 0.5966555402217162
Energy: 0.5969478516148099
Energy: 0.8214659313912605
Energy: 0.5969478516128889
Energy: 0.5967728244223761
Energy: 0.5809438654943893
Energy: 0.6188009787856137
Energy: 0.5809438654943893
Energy: 0.6306224196998319
Energy: 0.5521018691132864
Energy: 0.5516961081638253
Energy: 0.5521018691132864
Energy: 0.6040302859828518
Energy: 0.5528377372349086
Energy: 0.5518690645097104
Energy: 0.5528377372349086
Energy: 0.5703746491298107
Energy: 0.5960724480712558
Energy: 0.6173595933029649
Energy: 0.5960724480693349
Energy: 0.5703700073768553
Energy: 0.6077549535789125
Energy: 0.6057720296518214
Energy: 0.6077549535789125
Energy: 0.5432670618570431
Energy: 0.5435450922142246
Energy: 0.5495540496742333
Energy: 0.5435450922132641
Energy: 0.5438534671277561
Energy: 0.547857921533255
Energy: 0.5499745803349693
Energy: 0.5478579215351761
Energy: 0.5490696949165147
Energy: 0.5659042973917026
Energy: 0.5829842837537971
Energy: 0.565904297390742

minimum gb energy = 0.5222730292562894 eV
minimum distance =  2.45786312226824 Angstroms
sigma value = 25


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

Energy: 0.5953863302069147
Energy: 0.5848444504591885
Energy: 0.5859689111719869
Energy: 0.5848444504580007
Energy: 0.5851161743248536
Energy: 0.564273793827678
Energy: 0.5405184235311383
Energy: 0.564273793827678
Energy: 0.5852495918411176
Energy: 0.5847246073669076
Energy: 0.7125537888612552
Energy: 0.5847246073669076
Energy: 0.5848721299300641
Energy: 0.5644145302224927
Energy: 0.5391030256755477
Energy: 0.5644145302224927
Energy: 0.5587618451904772
Energy: 0.5608689411112392
Energy: 0.561880473624625
Energy: 0.5608689411112392
Energy: 0.5262019345517676
Energy: 0.560100397644111
Energy: 0.5394079626779134
Energy: 0.5601003976417354
Energy: 0.5948600425602715
Energy: 0.5601424115050063
Energy: 0.5597031020319985
Energy: 0.5601424115038186
Energy: 0.5235993225636723
Energy: 0.5934310287437092
Energy: 0.5400293569611098
Energy: 0.5934310287437092
Energy: 0.58481328140438
Energy: 0.5844942820946607
Energy: 0.6401192817892608
Energy: 0.5844942820958484
Energy: 0.5846087049092087
Energy: 0.5958684751717157
Energy: 0.589058477887594
Energy: 0.5958684751729035
Energy: 0.7120899354265919
Energy: 0.5854687068782735
Energy: 0.5852177538251405
Energy: 0.5854687068782735
Energy: 0.582517349121117
Energy: 0.5643628872656645
Energy: 0.584730469512634
Energy: 0.5643628872656645
Energy: 0.5400671801138662
Energy: 0.5611901558648431
Energy: 0.5587463401427767
Energy: 0.5611901558636553
Energy: 0.5621720487754142
Energy: 0.5611672516396179
Energy: 0.5264918752508142
Energy: 0.5611672516384302
Energy: 0.5595154506484975
Energy: 0.5605376780333168
Energy: 0.6005560195971325
Energy: 0.5605376780321288
Energy: 0.5394964477859312
Energy: 0.5969651833204894
Energy: 0.5974047604132435
Energy: 0.5969651833193016
Energy: 0.64001553840637
Energy: 0.5273330133086624
Energy: 0.5864197600355426
Energy: 0.5273330133086624

minimum gb energy = 0.5235993225636723 eV
minimum distance =  2.59932092395797 Angstroms
sigma value = 17


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

Energy: 0.8176735481566189
Energy: 0.6394834221153177
Energy: 0.6407950010181401
Energy: 0.6394834221146449
Energy: 0.5964414046695815
Energy: 0.5750803203582745
Energy: 0.6380085408538837
Energy: 0.5750803203596199
Energy: 0.5718652947244967
Energy: 0.5704094510427404
Energy: 0.7468289889134987
Energy: 0.5704094510420676
Energy: 0.5701705966336674
Energy: 0.5762075915563033
Energy: 0.5756332811767686
Energy: 0.5762075915556305
Energy: 0.6275944506300987
Energy: 0.6056491929700466
Energy: 0.5797521133466
Energy: 0.6056491929700466
Energy: 0.5770701827040907
Energy: 0.6234174876271624
Energy: 0.5704669092973328
Energy: 0.6234174876278352
Energy: 0.6760325185403252
Energy: 0.5697571167572082
Energy: 0.5716823561895411
Energy: 0.5697571167578808
Energy: 0.6747756877494541
Energy: 0.5753117066504867
Energy: 0.5696790526745552
Energy: 0.5753117066498139
Energy: 0.640498435280095
Energy: 0.639632226754856
Energy: 0.7439538679912552
Energy: 0.6396322267555288
Energy: 0.6398991102217726
Energy: 0.6092751839083074
Energy: 0.6126316767379674
Energy: 0.6092751839062892
Energy: 0.6270567412569994
Energy: 0.559075794276965
Energy: 0.5515910911855701
Energy: 0.5590757942776378
Energy: 0.6077620931052551
Energy: 0.5590667177222842
Energy: 0.5594251605391451
Energy: 0.559066717722957
Energy: 0.5987047527123416
Energy: 0.5607005940805884
Energy: 0.5594203094115962
Energy: 0.5607005940805884
Energy: 0.6786454479187344
Energy: 0.575726863730691
Energy: 0.5513107750059952
Energy: 0.5757268637293456
Energy: 0.6403046678965686
Energy: 0.648525754422203
Energy: 0.6719705123301324
Energy: 0.6485257544215303
Energy: 0.6391072524869243
Energy: 0.6387468775548242
Energy: 0.671624940274371
Energy: 0.6387468775561695
Energy: 0.6363846752339707
Energy: 0.570219193237886
Energy: 0.5703291507588198
Energy: 0.5702191932392314
Energy: 0.6362901971689432
Energy: 0.5702653987809475
Energy: 0.5695171973826652
Energy: 0.5702653987816202
Energy: 0.5760336815507076
Energy: 0.6228832981658687
Energy: 0.6290382198493689
Energy: 0.6228832981665414
Energy: 0.5771116823751744
Energy: 0.6064473170715369
Energy: 0.5993190108203047
Energy: 0.6064473170715369
Energy: 0.5720776087911057
Energy: 0.5757376354075102
Energy: 0.656369129322336
Energy: 0.5757376354068376
Energy: 0.5693712032600408
Energy: 0.5697714568621883
Energy: 0.6761373488317665
Energy: 0.5697714568608429
Energy: 0.6109632420659138
Energy: 0.6077956566174625
Energy: 0.6387835386909311
Energy: 0.6077956566154443
Energy: 0.7444814269016725
Energy: 0.6390599334944509
Energy: 0.6390431221895138
Energy: 0.6390599334971419
Energy: 0.5541599914226735
Energy: 0.5757860151654223
Energy: 0.6390413591184549
Energy: 0.575786015166095
Energy: 0.5606950293881446
Energy: 0.5586385450168794
Energy: 0.6273038011990629
Energy: 0.5586385450182249
Energy: 0.5507340801895018
Energy: 0.5610034027589336
Energy: 0.6112564361543872
Energy: 0.5610034027596065
Energy: 0.5601244746878562
Energy: 0.5596473934892847
Energy: 0.6768679380039593
Energy: 0.5596473934872666
Energy: 0.5540607850228645
Energy: 0.5751133157964315
Energy: 0.5980738306037321
Energy: 0.5751133157957589
Energy: 0.8137655915985882
Energy: 0.6390286680643706
Energy: 0.6398599466389864
Energy: 0.6390286680643706

minimum gb energy = 0.5507340801895018 eV
minimum distance =  2.48672153870642 Angstroms
sigma value = 53


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

Energy: 0.7435742048295638
Energy: 0.5943597737987972
Energy: 0.5969745891530562
Energy: 0.5943597737972484
Energy: 0.5940910732968886
Energy: 0.5361030952262794
Energy: 0.597108387130405
Energy: 0.5361030952247307
Energy: 0.5938785999589518
Energy: 0.5955726516824795
Energy: 0.6198427469038654
Energy: 0.5955726516809308
Energy: 0.5932747489193065
Energy: 0.5362839850095549
Energy: 0.6228449533843281
Energy: 0.5362839850080061
Energy: 0.6213570439140246
Energy: 0.5358455487032139
Energy: 0.500841855156422
Energy: 0.5358455487001164
Energy: 0.6224951388064168
Energy: 0.5374706470159933
Energy: 0.5012235340007172
Energy: 0.5374706470159933
Energy: 0.6781900989508403
Energy: 0.593086754414867
Energy: 0.5968194758372423
Energy: 0.5930867544195132
Energy: 0.6786373377786661
Energy: 0.5370463826006343
Energy: 0.5953750911707172
Energy: 0.5370463826021832
Energy: 0.5947931916009187
Energy: 0.5951636408388993
Energy: 0.6194092934839067
Energy: 0.5951636408388993
Energy: 0.5925038416413057
Energy: 0.5354744430232972
Energy: 0.594373739884163
Energy: 0.5354744430232972
Energy: 0.6221003693571454
Energy: 0.5369017074117101
Energy: 0.50960916240795
Energy: 0.5369017074132588
Energy: 0.5942927845480366
Energy: 0.5356492063169169
Energy: 0.5024709424917667
Energy: 0.5356492063153682
Energy: 0.6786942459105095
Energy: 0.5370722223466792
Energy: 0.5956398549327648
Energy: 0.537072222348228

minimum gb energy = 0.500841855156422 eV
minimum distance =  2.58525112668349 Angstroms
sigma value = 9


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

Energy: 0.7380550167989837
Energy: 0.6710766081955987
Energy: 0.6711009667572361
Energy: 0.671076608196745
Energy: 0.5706681306777791
Energy: 0.5626620724060106
Energy: 0.6751583019507822
Energy: 0.5626620724037178
Energy: 0.5663027793027262
Energy: 0.5622444330111822
Energy: 0.6892038432765362
Energy: 0.562244433010609
Energy: 0.5639847109603237
Energy: 0.5623654594083305
Energy: 0.673442815785661
Energy: 0.5623654594106233
Energy: 0.563528190041703
Energy: 0.5620234585978989
Energy: 0.706164852038427
Energy: 0.5620234585978989
Energy: 0.5727578482257093
Energy: 0.5618725022400286
Energy: 0.7057640342607289
Energy: 0.561872502238309
Energy: 0.6744200595941742
Energy: 0.6668149381461721
Energy: 0.6705753101380533
Energy: 0.666814938145599
Energy: 0.6737469115320823
Energy: 0.6654634784956269
Energy: 0.6655736094847567
Energy: 0.6654634784950537
Energy: 0.5946075467596432
Energy: 0.6325820130147517
Energy: 0.5995240161967295
Energy: 0.6325820130548769
Energy: 0.5592555352862559
Energy: 0.6250249858152763
Energy: 0.6672962616107487
Energy: 0.6250249857923476
Energy: 0.5945631425157512
Energy: 0.5938534203712593
Energy: 0.6240273117574003
Energy: 0.5938534203712593
Energy: 0.5934223424527958
Energy: 0.6022807966356065
Energy: 0.7379012144492912
Energy: 0.6022807966356065
Energy: 0.6743350913433108
Energy: 0.5943909827097686
Energy: 0.6005534986982727
Energy: 0.5943909827109151
Energy: 0.67510939831596
Energy: 0.5941928464957217
Energy: 0.5970800596756466
Energy: 0.5941928464945753
Energy: 0.6668538747008056
Energy: 0.6093746300612618
Energy: 0.5991931762321616
Energy: 0.6093746300618349
Energy: 0.6393508853595681
Energy: 0.635107719588982
Energy: 0.6048332634258239
Energy: 0.6351077195878356
Energy: 0.6673855216540724
Energy: 0.565649926151194
Energy: 0.5957249073805628
Energy: 0.5656499261494744
Energy: 0.6704941520598888
Energy: 0.6708363733312315
Energy: 0.7373841349644231
Energy: 0.6708363733295118
Energy: 0.6750859206765711
Energy: 0.5622764250926199
Energy: 0.563827291234269
Energy: 0.5622764250926199
Energy: 0.6899045008586892
Energy: 0.562534067894121
Energy: 0.5621970448369126
Energy: 0.562534067894121
Energy: 0.673580678730786
Energy: 0.562287315401264
Energy: 0.5648084650806519
Energy: 0.5622873154006908
Energy: 0.7062576872417974
Energy: 0.56182993594365
Energy: 0.56256883985639
Energy: 0.5618299359425036
Energy: 0.7057793109874546
Energy: 0.561948838974854
Energy: 0.5720489792269056
Energy: 0.561948838972561
Energy: 0.6766239020523606
Energy: 0.6664994400550118
Energy: 0.6744631552539374
Energy: 0.6664994400550118
Energy: 0.6657340739235182
Energy: 0.665919565741498
Energy: 0.6736036867309587
Energy: 0.6659195657443642
Energy: 0.601641675790956
Energy: 0.629711744691298
Energy: 0.5938638708523806
Energy: 0.6297117447829869
Energy: 0.6672466782638924
Energy: 0.6208097210834579
Energy: 0.5589241848588159
Energy: 0.6208097210800186
Energy: 0.6242317855008507
Energy: 0.5954025223601139
Energy: 0.5941864307510715
Energy: 0.5954025223606871
Energy: 0.7387491882494711
Energy: 0.5945984508452962
Energy: 0.5936247577848773
Energy: 0.5945984508424301
Energy: 0.6005156546672181
Energy: 0.5948230028869557
Energy: 0.6738099712059956
Energy: 0.5948230028875288
Energy: 0.5962343163953397
Energy: 0.594245624495803
Energy: 0.6880146263818446
Energy: 0.594245624495803
Energy: 0.5929309754206714
Energy: 0.5875860866262153
Energy: 0.6326229386120344
Energy: 0.587586086628508
Energy: 0.6026957476742195
Energy: 0.6362190152879991
Energy: 0.6399421012272585
Energy: 0.6362190152891456
Energy: 0.5945851822575121
Energy: 0.5651473796695164
Energy: 0.6271466693806248
Energy: 0.5651473796689432
Energy: 0.7368046238456843
Energy: 0.6712389771723353
Energy: 0.6697560639659939
Energy: 0.6712389771729085

minimum gb energy = 0.5589241848588159 eV
minimum distance =  2.48601356183408 Angstroms
sigma value = 73


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

Energy: 0.7760397458625338
Energy: 0.6522098047962268
Energy: 0.6519236378567198
Energy: 0.6522098047980457
Energy: 0.5868612814271957
Energy: 0.5762777289399804
Energy: 0.6385599167661439
Energy: 0.576277728942688
Energy: 0.5762776983775835
Energy: 0.5768128036319933
Energy: 0.6686194184026257
Energy: 0.5768128036338122
Energy: 0.5764707418654367
Energy: 0.577091609388391
Energy: 0.7058236764632273
Energy: 0.577091609388391
Energy: 0.5782517684501657
Energy: 0.5766427556151568
Energy: 0.6864268275300374
Energy: 0.5766427556151568
Energy: 0.5873357366153019
Energy: 0.5770060058942127
Energy: 0.6864007016839639
Energy: 0.577006005896941
Energy: 0.602030385150091
Energy: 0.6906581265195618
Energy: 0.667090777943258
Energy: 0.6906581265241091
Energy: 0.6032177272499791
Energy: 0.6559398435099977
Energy: 0.6583539027926008
Energy: 0.6559398435118166
Energy: 0.6010602745821485
Energy: 0.6396728868115017
Energy: 0.6693943412495212
Energy: 0.639672886826053
Energy: 0.5968875353574847
Energy: 0.6383388362452782
Energy: 0.6561151473700443
Energy: 0.6383388362461877
Energy: 0.6033824909168506
Energy: 0.5673132360869433
Energy: 0.5671497298441533
Energy: 0.5673132360860338
Energy: 0.6012252651894056
Energy: 0.5818182772548547
Energy: 0.7020272656311258
Energy: 0.5818182772575831
Energy: 0.661208200195661
Energy: 0.605732051443049
Energy: 0.6015079632395686
Energy: 0.6057320514421395
Energy: 0.6684852144090985
Energy: 0.6020910295468993
Energy: 0.6039581076746824
Energy: 0.6020910295432615
Energy: 0.6723629476607705
Energy: 0.5921382462204885
Energy: 0.5907759610539005
Energy: 0.5921382462213979
Energy: 0.6869203860162706
Energy: 0.5918538502482619
Energy: 0.5908159828274375
Energy: 0.5918538502500807
Energy: 0.6858078172108042
Energy: 0.5909558805780375
Energy: 0.602760088981454
Energy: 0.5909558805762186
Energy: 0.6527289027771556
Energy: 0.6531224980871831
Energy: 0.6028713540450311
Energy: 0.653122498090821
Energy: 0.6450658495642636
Energy: 0.6147658084276884
Energy: 0.6029388105281478
Energy: 0.614765808426779
Energy: 0.6448408317741972
Energy: 0.6143497926966706
Energy: 0.6446849082854449
Energy: 0.6143497926984894
Energy: 0.6441512255862385
Energy: 0.6390236955445788
Energy: 0.5993529736235353
Energy: 0.63902369554276
Energy: 0.6840384845405355
Energy: 0.640100938665462
Energy: 0.6413581500011961
Energy: 0.6401009386690792

minimum gb energy = 0.5671497298441533 eV
minimum distance =  2.5363612306732 Angstroms
sigma value = 7


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

Energy: 0.8937549354073324
Energy: 0.6590810138961621
Energy: 0.6611992377849729
Energy: 0.659081013895519
Energy: 0.5839947370914389
Energy: 0.576846179760357
Energy: 0.6579555946065734
Energy: 0.5768461797571417
Energy: 0.5824828155335575
Energy: 0.5778426417217744
Energy: 0.6332599858138878
Energy: 0.5778426417249896
Energy: 0.5787535571448376
Energy: 0.5787058479703313
Energy: 0.6554093275794702
Energy: 0.5787058479703313
Energy: 0.584714929231787
Energy: 0.5849703340089525
Energy: 0.6835365615775169
Energy: 0.5849703340083094
Energy: 0.589260110254452
Energy: 0.5844907893085313
Energy: 0.6833002722903091
Energy: 0.5844907893021004
Energy: 0.6559877101547205
Energy: 0.5850599002058852
Energy: 0.5884304140655908
Energy: 0.5850599002039559
Energy: 0.6551248895759415
Energy: 0.5839795223468836
Energy: 0.5857771856164822
Energy: 0.5839795223385236
Energy: 0.656708764661042
Energy: 0.5772685717674725
Energy: 0.57847856199402
Energy: 0.5772685717719742
Energy: 0.6842469423757301
Energy: 0.5783403153028355
Energy: 0.5830717756695958
Energy: 0.578340315313768
Energy: 0.6992241490774221
Energy: 0.6407650425682555
Energy: 0.5899803402140119
Energy: 0.6407650425682555
Energy: 0.6588914835030967
Energy: 0.6424596443776832
Energy: 0.6545908522454662
Energy: 0.6424596443821847
Energy: 0.6408621023352392
Energy: 0.6125502367628333
Energy: 0.6432853332670941
Energy: 0.6125502367634764
Energy: 0.63540682836683
Energy: 0.611164447215663
Energy: 0.5853687288640522
Energy: 0.6111644472175922
Energy: 0.6439549867450207
Energy: 0.613280047847373
Energy: 0.5912660283976863
Energy: 0.6132800478493022
Energy: 0.593524575901739
Energy: 0.6416796004483009
Energy: 0.6591105475724115
Energy: 0.6416796004444425
Energy: 0.5934450895723732
Energy: 0.6408501968957664
Energy: 0.6564301066862047
Energy: 0.6408501969112004
Energy: 0.584394275633756
Energy: 0.5792746443158054
Energy: 0.6329006148532134
Energy: 0.5792746443125899
Energy: 0.5770258113324404
Energy: 0.5776984728071426
Energy: 0.6546431930230612
Energy: 0.5776984728071426
Energy: 0.5837979268297496
Energy: 0.5849075926181692
Energy: 0.5956788787316294
Energy: 0.5849075926181692
Energy: 0.5879892339358815
Energy: 0.6264245383074525
Energy: 0.6830178689844288
Energy: 0.6264245383106679
Energy: 0.6550137647079173
Energy: 0.5845666309561384
Energy: 0.5892578626163195
Energy: 0.58456663096064
Energy: 0.6556501025243144
Energy: 0.5847763415343332
Energy: 0.5851150012256886
Energy: 0.5847763415298317
Energy: 0.7039990173882974
Energy: 0.578438957952668
Energy: 0.5793463498479148
Energy: 0.5784389579565266
Energy: 0.6862245790232858
Energy: 0.5777793004256754
Energy: 0.5817011888569293
Energy: 0.5777793004250323
Energy: 0.6867748168953617
Energy: 0.6555579784870104
Energy: 0.5849211894582814
Energy: 0.6555579784895827
Energy: 0.6613364551033972
Energy: 0.6589666422550587
Energy: 0.7880111522715524
Energy: 0.6589666422544157
Energy: 0.6415176900750929
Energy: 0.641465813789343
Energy: 0.5846142657666366
Energy: 0.6414658137944877
Energy: 0.6343309862463492
Energy: 0.6119706357057548
Energy: 0.64085329818311
Energy: 0.6119706357102564
Energy: 0.643101304248051
Energy: 0.6530156271002335
Energy: 0.5851302288462362
Energy: 0.6530156271079507
Energy: 0.5933462217954205
Energy: 0.6427971967775972
Energy: 0.6435378455332009
Energy: 0.6427971967795264

minimum gb energy = 0.5768461797571417 eV
minimum distance =  2.52745056732588 Angstroms
sigma value = 29


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

Energy: 0.5358498444720412
Energy: 0.6341919503914923
Energy: 0.6040417549855476
Energy: 0.6341919503910445
Energy: 0.555690979330675
Energy: 0.5894139245375987
Energy: 0.5427445173357427
Energy: 0.5894139245369515
Energy: 0.6022756414193617
Energy: 0.6006371403427679
Energy: 0.5396899620516616
Energy: 0.6006371403423197
Energy: 0.5508014329989408
Energy: 0.5427280315027118
Energy: 0.5609561368380408
Energy: 0.5427280315027118
Energy: 0.5432656118863931
Energy: 0.5441069951839175
Energy: 0.5417950234218365
Energy: 0.5441069951832703
Energy: 0.5557517257820936
Energy: 0.5986322199539804
Energy: 0.5429168631767207
Energy: 0.5986322199544285
Energy: 0.5403797014079341
Energy: 0.6019383438968866
Energy: 0.6015627704119537
Energy: 0.6019383438977578
Energy: 0.5427106144354925
Energy: 0.5457579369411846
Energy: 0.5493930526075653
Energy: 0.5457579369414086
Energy: 0.5359100807197099
Energy: 0.5430722366846445
Energy: 0.560900788939159
Energy: 0.5430722366844205

minimum gb energy = 0.5358498444720412 eV
minimum distance =  2.53640515688686 Angstroms
sigma value = 5


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

Energy: 0.729908820052285
Energy: 0.6248396102802458
Energy: 0.6254830843267336
Energy: 0.6248396102796383
Energy: 0.623395138866764
Energy: 0.5473908396053522
Energy: 0.6346228676746791
Energy: 0.5473908396065671
Energy: 0.634232327742062
Energy: 0.5912252598151133
Energy: 0.6415537560366863
Energy: 0.5912252598157207
Energy: 0.5625214147817593
Energy: 0.5462296406341819
Energy: 0.6487144181830014
Energy: 0.5462296407155551
Energy: 0.6437262976708801
Energy: 0.5462639654174258
Energy: 0.6368516286150897
Energy: 0.5462639654077063
Energy: 0.5620566325049478
Energy: 0.5475227371213014
Energy: 0.6397948246238769
Energy: 0.5475227371231237
Energy: 0.5466965845169711
Energy: 0.546164857251273
Energy: 0.6358761589269202
Energy: 0.5461648572524879
Energy: 0.5463341415322048
Energy: 0.5472701225076375
Energy: 0.7291739362603985
Energy: 0.5472701225046
Energy: 0.5462944454366674
Energy: 0.5605517612022763
Energy: 0.6962447544737025
Energy: 0.5605517612022763
Energy: 0.6455868630994598
Energy: 0.5311671111104732
Energy: 0.5362467099691656
Energy: 0.5311671111104732
Energy: 0.5469599335045955
Energy: 0.530930400861016
Energy: 0.5331766865897318
Energy: 0.5309304008591935
Energy: 0.7074974293259486
Energy: 0.5320337844341546
Energy: 0.5307135804546961
Energy: 0.5320337844353695
Energy: 0.7059607944238193
Energy: 0.534549049898098
Energy: 0.5302767460303477
Energy: 0.5345490498950608
Energy: 0.5479874695881888
Energy: 0.5617364691608533
Energy: 0.636700994541827
Energy: 0.5617364691596384
Energy: 0.5475031059411036
Energy: 0.5467147148024633
Energy: 0.6373744289286984
Energy: 0.5467147148024633
Energy: 0.5497234983274109
Energy: 0.5470796139527218
Energy: 0.6802540269706231
Energy: 0.5470796139527218
Energy: 0.5682802726386535
Energy: 0.5630312566849353
Energy: 0.5615194050751112
Energy: 0.5630312566879726
Energy: 0.6497172295559938
Energy: 0.5478403142297505
Energy: 0.5476051783353219
Energy: 0.5478403142297505
Energy: 0.6463054292564384
Energy: 0.5925622526579862
Energy: 0.6347494414518866
Energy: 0.5925622526555563
Energy: 0.6435596985991765
Energy: 0.5462822562454103
Energy: 0.5606544839108114
Energy: 0.5462822562951952
Energy: 0.6374981928313486
Energy: 0.5482395888559412
Energy: 0.6438662393676309
Energy: 0.5482395888577635
Energy: 0.6368314412961136
Energy: 0.5654771786043631
Energy: 0.5629173661995558
Energy: 0.5654771786037557
Energy: 0.6474141857600595
Energy: 0.5462138326514572
Energy: 0.5474907449049377
Energy: 0.5462138326502423
Energy: 0.7180171665334788
Energy: 0.5468938616261566
Energy: 0.549809372641352
Energy: 0.5468938616279789
Energy: 0.709160196949553
Energy: 0.5597106641508414
Energy: 0.5472062675779348
Energy: 0.559710664151449
Energy: 0.5414812001724002
Energy: 0.531506847769185
Energy: 0.6454944284462281
Energy: 0.5315068477740447
Energy: 0.5436042141992304
Energy: 0.5314011758719065
Energy: 0.5461372213236755
Energy: 0.5314011758712991
Energy: 0.5313366315163336
Energy: 0.5319795784767256
Energy: 0.5603572361915868
Energy: 0.5319795784736883
Energy: 0.5302679124354248
Energy: 0.5312032563262377
Energy: 0.7058157217044605
Energy: 0.5312032563256301
Energy: 0.636933664539236
Energy: 0.5603757717399207
Energy: 0.5984845643067979
Energy: 0.5603757717387057
Energy: 0.6386237716379372
Energy: 0.5468416139684409
Energy: 0.5483524666633997
Energy: 0.5468416139654035
Energy: 0.6458856601366539
Energy: 0.5468145363394253
Energy: 0.5478922027577827
Energy: 0.5468145363394253
Energy: 0.5628273962972415
Energy: 0.5626494787303955
Energy: 0.5633606615354453
Energy: 0.5626494787273582

minimum gb energy = 0.5302679124354248 eV
minimum distance =  2.51661568558933 Angstroms
sigma value = 1


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

Energy: 0.8390819515942767
Energy: 0.6164050163565378
Energy: 0.6186380098618891
Energy: 0.6164050163556979
Energy: 0.5503377333424059
Energy: 0.5277092015755395
Energy: 0.6454619269887938
Energy: 0.5277092015738596
Energy: 0.6409564023229369
Energy: 0.5850108471180518
Energy: 0.6460901469705395
Energy: 0.5850108471155321
Energy: 0.595388037383926
Energy: 0.5840822769262562
Energy: 0.5609025100453456
Energy: 0.5840822769279361
Energy: 0.5671117640561453
Energy: 0.5549400911850642
Energy: 0.5987704359887058
Energy: 0.554940091186744
Energy: 0.5527669400544661
Energy: 0.5326920512058216
Energy: 0.6006699819724701
Energy: 0.5326920512041418
Energy: 0.5327349657163812
Energy: 0.5319586066472537
Energy: 0.6487555082645251
Energy: 0.5319586066472537
Energy: 0.532831636849053
Energy: 0.5375043201994502
Energy: 0.6962688787116387
Energy: 0.5375043202002902
Energy: 0.5711834333666025
Energy: 0.556304803075697
Energy: 0.6910929062294723
Energy: 0.556304803074017
Energy: 0.7112802651140473
Energy: 0.5008557369332238
Energy: 0.5654191605821367
Energy: 0.5008557369332238
Energy: 0.5358076640494756
Energy: 0.5039107042513193
Energy: 0.5710115855731981
Energy: 0.5039107042546792
Energy: 0.7214114324516177
Energy: 0.5012363593253593
Energy: 0.5561407488337059
Energy: 0.501236359327039
Energy: 0.721117439188902
Energy: 0.499420746038592
Energy: 0.5684964011960186
Energy: 0.49942074604111164
Energy: 0.5694434528211662
Energy: 0.499311929034753
Energy: 0.6735275280986676
Energy: 0.499311929034753
Energy: 0.594189879329861
Energy: 0.5545820364307268
Energy: 0.6733444259782377
Energy: 0.5545820364298868
Energy: 0.596118821317122
Energy: 0.5322208841462083
Energy: 0.5276532326427589
Energy: 0.5322208841478882
Energy: 0.5667140535951664
Energy: 0.5663878152672079
Energy: 0.5970739361428143
Energy: 0.5663878152663679
Energy: 0.5395764517865698
Energy: 0.5341092576612458
Energy: 0.5951287303598818
Energy: 0.534109257658726
Energy: 0.5376305116795196
Energy: 0.5322715549915598
Energy: 0.685751312177512
Energy: 0.5322715549907199
Energy: 0.5499852832842705
Energy: 0.6025319109935267
Energy: 0.6943853354346138
Energy: 0.6025319109952064
Energy: 0.6881102503750858
Energy: 0.5555845598807406
Energy: 0.6606951641581675
Energy: 0.5555845598824204
Energy: 0.6874644214705868
Energy: 0.5270307719166922
Energy: 0.5278450816944655
Energy: 0.5270307719150124
Energy: 0.6201269325231528
Energy: 0.526798128640655
Energy: 0.5276026207895539
Energy: 0.5267981286381351
Energy: 0.6912816629343322
Energy: 0.5384752954658721
Energy: 0.5425344063110161
Energy: 0.5384752954650323

minimum gb energy = 0.499311929034753 eV
minimum distance =  2.45581359180425 Angstroms
sigma value = 17


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

Energy: 0.8217154470512168
Energy: 0.6147842518552818
Energy: 0.6135721403005157
Energy: 0.614784251848533
Energy: 0.5185052141979439
Energy: 0.5176653733153856
Energy: 0.5997461617507135
Energy: 0.5176653733148664
Energy: 0.6613207195763329
Energy: 0.6198306443443486
Energy: 0.5978472109109361
Energy: 0.6198306443464252
Energy: 0.667108778035407
Energy: 0.5427073597105267
Energy: 0.6184032384038018
Energy: 0.5427073597084503
Energy: 0.5982180885728927
Energy: 0.508759690177076
Energy: 0.7117061148018736
Energy: 0.5087596901786334
Energy: 0.5155608249514362
Energy: 0.5087517816039869
Energy: 0.7102084918712758
Energy: 0.5087517816076209
Energy: 0.5065942499739612
Energy: 0.5054496356117025
Energy: 0.5715217354447322
Energy: 0.5054496356111835
Energy: 0.5116294698377306
Energy: 0.5060960502550763
Energy: 0.5044388619289397
Energy: 0.506096050258144
Energy: 0.7012752104626956
Energy: 0.5062663489432366
Energy: 0.6473534613705821
Energy: 0.5062663489421984
Energy: 0.5980704740087011
Energy: 0.5443755148119789
Energy: 0.5948171614406039
Energy: 0.5443755148109406
Energy: 0.7006134478160498
Energy: 0.5170258022145912
Energy: 0.5265753284826385
Energy: 0.5170258022073232
Energy: 0.7096948639499079
Energy: 0.518536488814898
Energy: 0.6062896420669164
Energy: 0.5185364888164555
Energy: 0.7134575107402071
Energy: 0.5307389366623916
Energy: 0.5350451184133488
Energy: 0.5307389366629107
Energy: 0.5169708278930103
Energy: 0.516706301792192
Energy: 0.5187169993338123
Energy: 0.516706301792711
Energy: 0.6623131608117159
Energy: 0.5174531234094876
Energy: 0.523938048775307
Energy: 0.5174531234089684
Energy: 0.5047157726869088
Energy: 0.516715012859115
Energy: 0.5196165814467001
Energy: 0.5167150128601533
Energy: 0.5173445739215218
Energy: 0.518365752524788
Energy: 0.743189860631874
Energy: 0.518365752524788
Energy: 0.519197051592862
Energy: 0.5169152073317989
Energy: 0.701668637727409
Energy: 0.5169152073307606
Energy: 0.5164330688411122
Energy: 0.5183430611844594
Energy: 0.6629378580139638
Energy: 0.5183430611834212
Energy: 0.5453909785305652
Energy: 0.5395546971130342
Energy: 0.7511978898104168
Energy: 0.5395546971140724
Energy: 0.599308346626543
Energy: 0.5174934168755014
Energy: 0.5186476424182523
Energy: 0.5174934168770587
Energy: 0.6000312765870446
Energy: 0.6200466489209995
Energy: 0.6610811726632909
Energy: 0.6200466489199612
Energy: 0.5693486820382582
Energy: 0.5414703798645922
Energy: 0.6635692652400895
Energy: 0.5414703798666689
Energy: 0.7147321257956157
Energy: 0.5126145497743034
Energy: 0.5061436626137223
Energy: 0.5126145497758609
Energy: 0.7102774925015267
Energy: 0.5068112087700779
Energy: 0.5134605455268261
Energy: 0.5068112087721545
Energy: 0.6074951067544264
Energy: 0.5057734888373236
Energy: 0.5086628534542567
Energy: 0.5057734888378429
Energy: 0.8283891275186838
Energy: 0.5061221060347064
Energy: 0.5143594389582736
Energy: 0.506122106033149
Energy: 0.64743100140343
Energy: 0.50634361738656
Energy: 0.7022224076066792
Energy: 0.506343617387079
Energy: 0.5941950857688887
Energy: 0.5441605883792283
Energy: 0.5986547449606314
Energy: 0.5441605883766326
Energy: 0.5274225474615609
Energy: 0.5168868429512564
Energy: 0.5894434854444228
Energy: 0.5168868429522947
Energy: 0.608803792600722
Energy: 0.5185086486722185
Energy: 0.7099187638492512
Energy: 0.5185086486711802
Energy: 0.5370573288436022
Energy: 0.5287392481944717
Energy: 0.7104475464534535
Energy: 0.528739248194991
Energy: 0.5169536948376454
Energy: 0.5164448990380646
Energy: 0.5180006682951891
Energy: 0.5164448990375455
Energy: 0.5227213776855035
Energy: 0.5178789638395154
Energy: 0.6658288260795444
Energy: 0.5178789638369197
Energy: 0.5901494439428102
Energy: 0.529942855949649
Energy: 0.7579295541388589
Energy: 0.5299428559470533
Energy: 0.7454272960809005
Energy: 0.5182245804102313
Energy: 0.5176070676231532
Energy: 0.5182245804112696
Energy: 0.5903247707324301
Energy: 0.5167717295087543
Energy: 0.5174556346972482
Energy: 0.516771729507716
Energy: 0.6620590593571526
Energy: 0.5187897507502639
Energy: 0.5409037082662695
Energy: 0.5187897507523405

minimum gb energy = 0.5044388619289397 eV
minimum distance =  2.47482682422576 Angstroms
sigma value = 89


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

Energy: 0.8547948529151296
Energy: 0.4679080721870313
Energy: 0.46838642506612566
Energy: 0.4679080721856729
Energy: 0.5135473261745229
Energy: 0.5121137349927545
Energy: 0.4682305444943863
Energy: 0.5121137349927545
Energy: 0.4646891613796175
Energy: 0.5130900771882827
Energy: 0.5132350182988021
Energy: 0.5130900771869242
Energy: 0.46689716863846553
Energy: 0.5117997448777807
Energy: 0.4826831982260799
Energy: 0.5117997448777807
Energy: 0.5145437538583305
Energy: 0.4697847708079841
Energy: 0.6178335366377486
Energy: 0.4697847708079841
Energy: 0.46768611719264036
Energy: 0.46945806144571145
Energy: 0.6172275513328815
Energy: 0.46945806144571145
Energy: 0.46858517508582803
Energy: 0.4676902415849295
Energy: 0.5150151209217944
Energy: 0.46769024158628786
Energy: 0.4680695309287023
Energy: 0.46847634285544126
Energy: 0.46456802212826837
Energy: 0.4684763428567996
Energy: 0.4837570187133235
Energy: 0.4679814630555138
Energy: 0.4648790088490632
Energy: 0.4679814630555138
Energy: 0.5127923315216075
Energy: 0.5115761256546004
Energy: 0.514618360045868
Energy: 0.5115761256559589
Energy: 0.514631825531825
Energy: 0.5115460592061646
Energy: 0.46443301578211915
Energy: 0.511546059207523
Energy: 0.6170618208473755
Energy: 0.46894722507650477
Energy: 0.5146171572044653
Energy: 0.4689472250778631
Energy: 0.617530444168311
Energy: 0.46850410201247844
Energy: 0.467748276680274
Energy: 0.46850410201247844
Energy: 0.5140200512379228
Energy: 0.46738125367821987
Energy: 0.46780185223049275
Energy: 0.4673812536795782
Energy: 0.4651725546303513
Energy: 0.4680435130345931
Energy: 0.46801892215162505
Energy: 0.46804351303595143

minimum gb energy = 0.46443301578211915 eV
minimum distance =  2.53148204403002 Angstroms
sigma value = 13


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

Energy: 0.7610522580585658
Energy: 0.5827333497041663
Energy: 0.5833413922746529
Energy: 0.5827333497127064
Energy: 0.6680603239592646
Energy: 0.4555430594766699
Energy: 0.5362519740137628
Energy: 0.4555430594761006
Energy: 0.7201868178548991
Energy: 0.4550308882831309
Energy: 0.5349534036020241
Energy: 0.4550308882842695
Energy: 0.5996447860487042
Energy: 0.45538182706257385
Energy: 0.54567765264729
Energy: 0.45538182706881064
Energy: 0.5457814217622777
Energy: 0.4555100259415693
Energy: 0.667599941084982
Energy: 0.4555100259421127
Energy: 0.5426337981274534
Energy: 0.45523578345888194
Energy: 0.6670022473034001
Energy: 0.45523578345034194
Energy: 0.5373724617677811
Energy: 0.4551996420685658
Energy: 0.5527219718517443
Energy: 0.4551996420571791
Energy: 0.4830407077464909
Energy: 0.4663244370808073
Energy: 0.6716986685580894
Energy: 0.4663244370711286
Energy: 0.45845218932729687
Energy: 0.45626758748734947
Energy: 0.671712286433546
Energy: 0.45626758748962687
Energy: 0.4580017680995512
Energy: 0.4552681756623628
Energy: 0.6750413144587585
Energy: 0.45526817564986327
Energy: 0.45495796765130775
Energy: 0.4560738305281197
Energy: 0.763673123284939
Energy: 0.456073830520149
Energy: 0.6684201982760807
Energy: 0.4546963094270822
Energy: 0.5581370074105445
Energy: 0.45469630941683425
Energy: 0.6690116982823969
Energy: 0.4770803618817914
Energy: 0.666000782292195
Energy: 0.47708036187268205
Energy: 0.5587666281176973
Energy: 0.47849298420759173
Energy: 0.601524267018696
Energy: 0.4784929842104384
Energy: 0.670607643564762
Energy: 0.45614284584624487
Energy: 0.5595991012320948
Energy: 0.4561428458445369
Energy: 0.7715147320036455
Energy: 0.4559918200013635
Energy: 0.45530797033722137
Energy: 0.45599182000762617
Energy: 0.6334349940021842
Energy: 0.45544024024458407
Energy: 0.45696534970933284
Energy: 0.45544024025027735
Energy: 0.7605451049365982
Energy: 0.455464321599034
Energy: 0.46517680825040447
Energy: 0.45546432160017264
Energy: 0.6085069877281459
Energy: 0.45612147659176494
Energy: 0.5471078408609944
Energy: 0.45612147658834895
Energy: 0.6734507367104758
Energy: 0.4548435066422447
Energy: 0.5310022563355778
Energy: 0.45484350664395273
Energy: 0.5989443072264415
Energy: 0.45605095302005805
Energy: 0.5507561690214398
Energy: 0.4560509530024088
Energy: 0.6736689985652279
Energy: 0.4857531052073961
Energy: 0.6656226328819499
Energy: 0.4857531052136587
Energy: 0.5437623744368248
Energy: 0.4556139877023309
Energy: 0.6655606041664204
Energy: 0.4556139876983456
Energy: 0.4592932553611153
Energy: 0.45508166877058676
Energy: 0.5598721942769022
Energy: 0.45508166877229483
Energy: 0.5430281906867579
Energy: 0.4654760058373192
Energy: 0.6710117556989069
Energy: 0.4654760058418739
Energy: 0.46946324289227587
Energy: 0.45579560745511793
Energy: 0.670469096128606
Energy: 0.4557956074573953
Energy: 0.45544253683773744
Energy: 0.4550738307784631
Energy: 0.5576590624655983
Energy: 0.455073830781879
Energy: 0.4552674632601689
Energy: 0.4559113434101792
Energy: 0.7193725829283137
Energy: 0.4559113433993619
Energy: 0.6534512160764594
Energy: 0.4556290654552683
Energy: 0.6114811139396472
Energy: 0.45562906545014437
Energy: 0.5293589064222409
Energy: 0.4789340628840782
Energy: 0.667106175526453
Energy: 0.47893406288521684
Energy: 0.6694296134242481
Energy: 0.48041170496291613
Energy: 0.5979768382741917
Energy: 0.48041170496462415
Energy: 0.6720002478819158
Energy: 0.45575449340686475
Energy: 0.5474223060296958
Energy: 0.45575449340971136
Energy: 0.670543090010399
Energy: 0.455661871794097
Energy: 0.4556413515595084
Energy: 0.455661871790681
Energy: 0.6363001331223453
Energy: 0.45510420292537856
Energy: 0.4558710813614932
Energy: 0.45510420292139325
Energy: 0.6109845712226409
Energy: 0.4660404885442122
Energy: 0.465832235392154
Energy: 0.4660404885373802

minimum gb energy = 0.45469630941683425 eV
minimum distance =  2.5383561761635 Angstroms
sigma value = 37


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

Energy: 0.7345302556041681
Energy: 0.43145057027194694
Energy: 0.43124526255271234
Energy: 0.4314505702729265
Energy: 0.6736268366256227
Energy: 0.4317034091616052
Energy: 0.5562820158768178
Energy: 0.4317034091586667
Energy: 0.7010737420971208
Energy: 0.4320482572867113
Energy: 0.5546497675604171
Energy: 0.4320482572857318
Energy: 0.7000853470980877
Energy: 0.5274997179578755
Energy: 0.5439449278185635
Energy: 0.5274997179568961
Energy: 0.674858720467295
Energy: 0.4245277428762946
Energy: 0.6009608892561549
Energy: 0.4245277428743356
Energy: 0.5499956849942494
Energy: 0.4240787658267498
Energy: 0.6761301014009731
Energy: 0.4240787658267498
Energy: 0.477151651704103
Energy: 0.42391828730216957
Energy: 0.6557534295843453
Energy: 0.4239182873011901
Energy: 0.5481253390293147
Energy: 0.42458753429547685
Energy: 0.7052231008092255
Energy: 0.42458753429547685
Energy: 0.47665411685095627
Energy: 0.42440080516342527
Energy: 0.7055254737511208
Energy: 0.4244008051614662
Energy: 0.4780741600089119
Energy: 0.41529558275848927
Energy: 0.6544962055695867
Energy: 0.41529558275848927
Energy: 0.479041938014925
Energy: 0.5258748583020975
Energy: 0.6601961414999735
Energy: 0.5258748583001385
Energy: 0.5991392975647362
Energy: 0.4154067866568594
Energy: 0.6544840846312683
Energy: 0.41540678665490033
Energy: 0.6054775634207195
Energy: 0.42443538015552623
Energy: 0.7009430029547793
Energy: 0.42443538015454674
Energy: 0.6522340063623074
Energy: 0.46908016369124483
Energy: 0.700293903606708
Energy: 0.46908016369124483
Energy: 0.6009608892561549
Energy: 0.46932151365288244
Energy: 0.6549328727603371
Energy: 0.469321513653862
Energy: 0.6739258821873485
Energy: 0.46926496636655796
Energy: 0.5537754492841159
Energy: 0.46926496636655796
Energy: 0.6522045833690208
Energy: 0.5464677861382272
Energy: 0.477071145932152
Energy: 0.5464677861382272
Energy: 0.7052231008092255
Energy: 0.48559308342892077
Energy: 0.47680429357887943
Energy: 0.4855930834299003
Energy: 0.7055254737511208
Energy: 0.4323651241656986
Energy: 0.4316747933753003
Energy: 0.4323651241666781
Energy: 0.6734902610894554
Energy: 0.43177502946815427
Energy: 0.43172868749498156
Energy: 0.4317750294691337

minimum gb energy = 0.41529558275848927 eV
minimum distance =  2.50292513641633 Angstroms
sigma value = 25


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

Energy: 0.7728627377418456
Energy: 0.3804512466681847
Energy: 0.3821185617534717
Energy: 0.38045124667047925
Energy: 0.7221639601429908
Energy: 0.3811180015217031
Energy: 0.478207642587662
Energy: 0.38111800152017333
Energy: 0.7174670365375811
Energy: 0.38055021165710917
Energy: 0.4778898686935728
Energy: 0.38055021165710917
Energy: 0.5582533322675657
Energy: 0.38070726725691556
Energy: 0.4776915420673266
Energy: 0.3807072672553858
Energy: 0.7215767547806605
Energy: 0.5155467342543305
Energy: 0.6469574000288058
Energy: 0.5155467342535655
Energy: 0.5712255027641225
Energy: 0.4146269193344754
Energy: 0.6499758198337127
Energy: 0.4146269193321808
Energy: 0.5680106114514388
Energy: 0.515559080005584
Energy: 0.6474054682421301
Energy: 0.5155590800048192
Energy: 0.4804940009531706
Energy: 0.3807999839615968
Energy: 0.6437997601721711
Energy: 0.3807999839615968
Energy: 0.47876680865983096
Energy: 0.3804621784238183
Energy: 0.7212177859419231
Energy: 0.3804621784245832
Energy: 0.48143637333072914
Energy: 0.3811405512667868
Energy: 0.7223506685504293
Energy: 0.3811405512675517
Energy: 0.38068551057092465
Energy: 0.3813055242070668
Energy: 0.6644066611283095
Energy: 0.38130552418109587
Energy: 0.3839871348647635
Energy: 0.3805915705032229
Energy: 0.721757379127194
Energy: 0.3805915705032229
Energy: 0.380651022842432
Energy: 0.3809607078874319
Energy: 0.7164211160982766
Energy: 0.38096070788590214
Energy: 0.40753900571073415
Energy: 0.38162823143507896
Energy: 0.7161892476689933
Energy: 0.3816282314358438
Energy: 0.47636835631553587
Energy: 0.3808076967205838
Energy: 0.722046151679568
Energy: 0.3808076967198189
Energy: 0.4793157192376625
Energy: 0.3806658555234403
Energy: 0.71662041399179
Energy: 0.38066585552267534
Energy: 0.6478319519447011
Energy: 0.5156014182941027
Energy: 0.7164572420884077
Energy: 0.5156014182941027
Energy: 0.46981562319378056
Energy: 0.41569653908602006
Energy: 0.6476924700721362
Energy: 0.41569653908602006
Energy: 0.6494206545266431
Energy: 0.4151217343615443
Energy: 0.5687606456105689
Energy: 0.4151217343623092
Energy: 0.7225272375365401
Energy: 0.5154554259802261
Energy: 0.5704180068206868
Energy: 0.515455425980991
Energy: 0.6650006194684597
Energy: 0.3807410728555881
Energy: 0.4805997836547442
Energy: 0.38074107285711783
Energy: 0.7223274149123122
Energy: 0.38038677062567416
Energy: 0.3816153621795497
Energy: 0.3803867706249093
Energy: 0.7227407279115172
Energy: 0.3813340090322136
Energy: 0.4863025230584834
Energy: 0.3813340090322136
Energy: 0.6440113577272126
Energy: 0.3824727364026162
Energy: 0.38067696377925164
Energy: 0.3824727364033811
Energy: 0.7226169618752678
Energy: 0.3803244324422375
Energy: 0.3813172584897405
Energy: 0.3803244324422375
Energy: 0.7153794888966086
Energy: 0.38149748252649857
Energy: 0.3804950321124594
Energy: 0.38149748252649857

minimum gb energy = 0.3803244324422375 eV
minimum distance =  2.53745799032756 Angstroms
sigma value = 41


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

Energy: 0.8426505934080609
Energy: 0.35236869549824823
Energy: 0.3539449165216872
Energy: 0.3523686946006822
Energy: 0.7673603852557628
Energy: 0.3517880853491174
Energy: 0.42760280635944165
Energy: 0.3517880853484903
Energy: 0.7653751780368971
Energy: 0.3511056466518965
Energy: 0.43183869710928546
Energy: 0.3511056466531506
Energy: 0.649151212947519
Energy: 0.3518431144833118
Energy: 0.5278113570287654
Energy: 0.35184311448582006
Energy: 0.7026295317482085
Energy: 0.35227641194436304
Energy: 0.5741306551192064
Energy: 0.352276411943109
Energy: 0.6380838106285431
Energy: 0.4723731560373639
Energy: 0.5746911491760792
Energy: 0.4723731560392452
Energy: 0.6429873680008211
Energy: 0.5806303370180873
Energy: 0.6461190796150315
Energy: 0.5806303370162061
Energy: 0.5736391453530781
Energy: 0.4748416154493802
Energy: 0.5682547506345023
Energy: 0.47484161544875314
Energy: 0.5029206228248324
Energy: 0.47122237376856185
Energy: 0.7016859723115634
Energy: 0.47122237376856185
Energy: 0.5070857238385952
Energy: 0.4694056012875292
Energy: 0.7674499839347781
Energy: 0.46940560129063597
Energy: 0.4215590854445333
Energy: 0.3522488908228678
Energy: 0.7504030191254007
Energy: 0.35224889082098654
Energy: 0.4225845202245768
Energy: 0.3511122936367575
Energy: 0.7702099266426942
Energy: 0.3511122936336221
Energy: 0.4214038419118981
Energy: 0.35216295843301765
Energy: 0.7667433258499133
Energy: 0.3521629584342718
Energy: 0.35164407596604313
Energy: 0.35220798955838706
Energy: 0.7000953967055215
Energy: 0.3522079895596412
Energy: 0.3532917841221254
Energy: 0.3517956690234917
Energy: 0.7664673329844552
Energy: 0.3517956690228647
Energy: 0.3530600885364277
Energy: 0.3518702485192467
Energy: 0.7661941286569836
Energy: 0.3518702485161114
Energy: 0.4229212498098056
Energy: 0.35255101596229493
Energy: 0.7623029169858603
Energy: 0.35255101596041366
Energy: 0.4226792568468336
Energy: 0.42218690938611025
Energy: 0.7674392922262001
Energy: 0.4221869093879915
Energy: 0.4227779254698322
Energy: 0.3516194533509022
Energy: 0.643013159947659
Energy: 0.3516194533502751
Energy: 0.5785766976082563
Energy: 0.46879350456924307
Energy: 0.6411497589538877
Energy: 0.46879350456550917
Energy: 0.5760933827668437
Energy: 0.4700008514714201
Energy: 0.7024189059980648
Energy: 0.4700008514682848
Energy: 0.5764540450834127
Energy: 0.47237648001523264
Energy: 0.6429496879516229
Energy: 0.47237648001400695
Energy: 0.7018997444531053
Energy: 0.57776066508381
Energy: 0.6370571093629067
Energy: 0.5777606650856911
Energy: 0.573640578452718
Energy: 0.472334103389178
Energy: 0.5767024748521836
Energy: 0.47233410338792386
Energy: 0.703273041127374
Energy: 0.47014024420550654
Energy: 0.4908653282375426
Energy: 0.4701402442042524
Energy: 0.702368973676527
Energy: 0.4694264428904596
Energy: 0.5746864938584142
Energy: 0.4694264428892054
Energy: 0.7005836365500574
Energy: 0.35156978751930673
Energy: 0.43970578937254
Energy: 0.3515697875199338
Energy: 0.7669342369680119
Energy: 0.42547743627749424
Energy: 0.42341450465121977
Energy: 0.42547743627247775
Energy: 0.7004841113260865
Energy: 0.3523205017751841
Energy: 0.43435844556596803
Energy: 0.35232050177392993
Energy: 0.7037007529961787
Energy: 0.3522954079195316
Energy: 0.3518992428850121
Energy: 0.35229540791890457
Energy: 0.7671693941356305
Energy: 0.3517673451705476
Energy: 0.3527647675625725
Energy: 0.3517673451718017
Energy: 0.7623939338172339
Energy: 0.35240988500503667
Energy: 0.3515716561302882
Energy: 0.352409885008172

minimum gb energy = 0.3511056466518965 eV
minimum distance =  2.54125807741675 Angstroms
sigma value = 15


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

Energy: 0.7295800094260055
Energy: 0.3307999872194762
Energy: 0.3304127420318348
Energy: 0.33079998713341896
Energy: 0.797757793448544
Energy: 0.3277771309470803
Energy: 0.39201749114648815
Energy: 0.32777713094761146
Energy: 0.7982516826801622
Energy: 0.3279723924914458
Energy: 0.3911586788628282
Energy: 0.3279723924925082
Energy: 0.6852713425937199
Energy: 0.32838191657623994
Energy: 0.5118269325308201
Energy: 0.32838191657730237
Energy: 0.6916221735769588
Energy: 0.32895846446640536
Energy: 0.5150437211145193
Energy: 0.3289584644658742
Energy: 0.6877268356235038
Energy: 0.4306458227488045
Energy: 0.5194262695563435
Energy: 0.43064582275305424
Energy: 0.5784150205775783
Energy: 0.5395986662989385
Energy: 0.6339721743379436
Energy: 0.5395986662994696
Energy: 0.6327790511582537
Energy: 0.351006676252205
Energy: 0.513074413864035
Energy: 0.35100667625273624
Energy: 0.5760766189200381
Energy: 0.5301544587826331
Energy: 0.6309061309307704
Energy: 0.5301544587826331
Energy: 0.5753104625555759
Energy: 0.5371119878800902
Energy: 0.7408421175512303
Energy: 0.537111987877434
Energy: 0.5124327347847978
Energy: 0.32930147387680236
Energy: 0.6546556462256411
Energy: 0.32930147386830283
Energy: 0.44584405750120876
Energy: 0.4333726052980718
Energy: 0.7406514689986486
Energy: 0.4333726052996655
Energy: 0.5211194124967629
Energy: 0.3294359317435781
Energy: 0.742005908011941
Energy: 0.32943593174729663
Energy: 0.38577933450976376
Energy: 0.32798588717494276
Energy: 0.6363053524850654
Energy: 0.32798588717494276
Energy: 0.3886394496186981
Energy: 0.3285736272841424
Energy: 0.7992385660179758
Energy: 0.3285736272798927
Energy: 0.3858092919184575
Energy: 0.32856686618629116
Energy: 0.7432811734399473
Energy: 0.3285668661878848
Energy: 0.32786627737790247
Energy: 0.32885683592975584
Energy: 0.7394349126203
Energy: 0.3288568359329432
Energy: 0.3277532771187202
Energy: 0.32758743118122974
Energy: 0.7965073070314895
Energy: 0.32758743118122974
Energy: 0.32770677593639325
Energy: 0.3285598857459929
Energy: 0.6903530586955717
Energy: 0.32855988574705536
Energy: 0.3862068331842169
Energy: 0.32875723723802824
Energy: 0.7996575149225089
Energy: 0.3287572372390907
Energy: 0.3856643021808267
Energy: 0.328774465644276
Energy: 0.798484436487731
Energy: 0.3287744656432135
Energy: 0.3856021547378676
Energy: 0.32833968365206306
Energy: 0.6849954985133645
Energy: 0.3283396836541879
Energy: 0.5219350430218018
Energy: 0.32882602919667664
Energy: 0.6859711904695349
Energy: 0.32882602919667664
Energy: 0.5140319977083126
Energy: 0.4327676771997785
Energy: 0.7418428080251871
Energy: 0.4327676771965912
Energy: 0.5129052911250255
Energy: 0.32924603990752105
Energy: 0.5826957135499411
Energy: 0.3292460399059274
Energy: 0.6318898482628748
Energy: 0.5367863706686998
Energy: 0.7421910090172598
Energy: 0.5367863706676373
Energy: 0.5130744801607235
Energy: 0.5305085535436861
Energy: 0.6322250838050157
Energy: 0.5305085535436861
Energy: 0.6325925084877703
Energy: 0.5339028287033535
Energy: 0.5830565916982712
Energy: 0.53390282870543
Energy: 0.6355763014886475
Energy: 0.538824709965313
Energy: 0.6337336979288446
Energy: 0.538824709965313
Energy: 0.6317355088806147
Energy: 0.32871384853010543
Energy: 0.5140588652666948
Energy: 0.3287138485279806
Energy: 0.7452709109674485
Energy: 0.32941558089430345
Energy: 0.44586972761342214
Energy: 0.3294155808953659
Energy: 0.6428978185059103
Energy: 0.33008490627863973
Energy: 0.5120788452186787
Energy: 0.33008490627863973
Energy: 0.7425273352885882
Energy: 0.3283582769578542
Energy: 0.3950902418561926
Energy: 0.3283582769589166
Energy: 0.7406091240114684
Energy: 0.3279061134881851
Energy: 0.3961377224023211
Energy: 0.32790611348659143
Energy: 0.7387864505488176
Energy: 0.3287539892933697
Energy: 0.3579669960819821
Energy: 0.32875398928598093
Energy: 0.7978636150289723
Energy: 0.3281976036162031
Energy: 0.3309932344441679
Energy: 0.3281976036172656
Energy: 0.7960991769181455
Energy: 0.3283611982137372
Energy: 0.33177740034482645
Energy: 0.32836119821479964

minimum gb energy = 0.32758743118122974 eV
minimum distance =  2.54139113152763 Angstroms
sigma value = 85


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

Energy: 0.7709813285833755
Energy: 0.2954122494500557
Energy: 0.29534150940361353
Energy: 0.29541224944867356
Energy: 0.8051571078690452
Energy: 0.295722163562533
Energy: 0.34509475509252435
Energy: 0.2957221635629937
Energy: 0.7093189852667408
Energy: 0.295572574704519
Energy: 0.34547823773476755
Energy: 0.295572574704519
Energy: 0.6098061879836555
Energy: 0.2963939693086577
Energy: 0.4630076533030192
Energy: 0.2963939693072755
Energy: 0.7143629269112675
Energy: 0.2964621230075993
Energy: 0.459401299893735
Energy: 0.2964621230094422
Energy: 0.6105264629180877
Energy: 0.2962900576842791
Energy: 0.4580476749913899
Energy: 0.29629005768151473
Energy: 0.6103449103268919
Energy: 0.4034020629768761
Energy: 0.5624310587895615
Energy: 0.4034020629759546
Energy: 0.6609725611963415
Energy: 0.4033094208446225
Energy: 0.4550347046417076
Energy: 0.40330942084692617
Energy: 0.6107143849005745
Energy: 0.4039328160514583
Energy: 0.5628690870315631
Energy: 0.40393281605099757
Energy: 0.6108523726265515
Energy: 0.4954171931641762
Energy: 0.6610811041882027
Energy: 0.49541719316509764
Energy: 0.5625067004831366
Energy: 0.4038317739602996
Energy: 0.5750467806392923
Energy: 0.40383177396076037
Energy: 0.5144301898241854
Energy: 0.48468732786031504
Energy: 0.6614870364755051
Energy: 0.4846873278598543
Energy: 0.5620411657649362
Energy: 0.4032449093328719
Energy: 0.6603665412429833
Energy: 0.4032449093337933
Energy: 0.4570109579094915
Energy: 0.2962136756652867
Energy: 0.5615568361922193
Energy: 0.29621367566574747
Energy: 0.39534112498105645
Energy: 0.29636644739302886
Energy: 0.7592199968736294
Energy: 0.2963664473925682
Energy: 0.45619558723155773
Energy: 0.29636660594345077
Energy: 0.6610657210011963
Energy: 0.2963666059443513
Energy: 0.3457041320243927
Energy: 0.2961249646141423
Energy: 0.6594076612223935
Energy: 0.29612496461460297
Energy: 0.3452620319476962
Energy: 0.34565437952104094
Energy: 0.8092879850786302
Energy: 0.3456543795196587
Energy: 0.3456154580359644
Energy: 0.2967609183720943
Energy: 0.7563135055068423
Energy: 0.29676091837117285
Energy: 0.29564464015286884
Energy: 0.29687695650860657
Energy: 0.7555504960739451
Energy: 0.29687695650768514
Energy: 0.29603510003254796
Energy: 0.29563856013751927
Energy: 0.8094650709541931
Energy: 0.29563856013751927
Energy: 0.2955700662168393
Energy: 0.2965358259583227
Energy: 0.7078437878119187
Energy: 0.29653582595694056
Energy: 0.34587206456219494
Energy: 0.2962458997027868
Energy: 0.801692497794318
Energy: 0.2962458997027868
Energy: 0.3469869987974957
Energy: 0.29540601403380273
Energy: 0.8060000516388702
Energy: 0.29540601403334205
Energy: 0.34593888041644005
Energy: 0.2960494199725729
Energy: 0.6374516056887168
Energy: 0.2960494199698085
Energy: 0.4575217921043777
Energy: 0.29641658896417944
Energy: 0.8041526055208009
Energy: 0.29641658896417944
Energy: 0.45662479037890824
Energy: 0.2961364219190948
Energy: 0.7096154095826206
Energy: 0.2961364219177126
Energy: 0.5309363326928105
Energy: 0.2962853658955353
Energy: 0.6388367402929763
Energy: 0.2962853659029068
Energy: 0.562729860776795
Energy: 0.4031815000652161
Energy: 0.7144681680739461
Energy: 0.4031815000661375
Energy: 0.5623893589898593
Energy: 0.4857043230060837
Energy: 0.6107348716843751
Energy: 0.48570432300700517
Energy: 0.6607421694946074
Energy: 0.49437830728302595
Energy: 0.5129677157671322
Energy: 0.49437830728302595
Energy: 0.5700070624387198
Energy: 0.49439757913188564
Energy: 0.6222067548023621
Energy: 0.49439757913234633
Energy: 0.6612545242393953
Energy: 0.4849611748150304
Energy: 0.5125457966215206
Energy: 0.4849611748154912
Energy: 0.7623041783029807
Energy: 0.40335325227539615
Energy: 0.5127586407084844
Energy: 0.403353252274014
Energy: 0.5737548551982538
Energy: 0.2961845750944776
Energy: 0.45724189523672526
Energy: 0.2961845750935561
Energy: 0.7589065246673332
Energy: 0.2962969344388343
Energy: 0.45934276391204826
Energy: 0.2962969344383736
Energy: 0.7572541438502274
Energy: 0.29634885128681016
Energy: 0.46140884588191583
Energy: 0.2963488512872709
Energy: 0.659426333930472
Energy: 0.2959291090853417
Energy: 0.3459357723546041
Energy: 0.29592910908488096
Energy: 0.8067199371782211
Energy: 0.29541704088810244
Energy: 0.3482220252071883
Energy: 0.2954170408876417
Energy: 0.7550725732429374
Energy: 0.29641424675950556
Energy: 0.345264245314294
Energy: 0.29641424675858413
Energy: 0.6591667437674449
Energy: 0.2959095418975817
Energy: 0.29558560576056553
Energy: 0.2959095418989638
Energy: 0.8093673430714885
Energy: 0.29569397597882663
Energy: 0.2957763970198996
Energy: 0.29569397597836594
Energy: 0.7076187166788209
Energy: 0.2969299226320465
Energy: 0.2955215204424073
Energy: 0.29692992263250717

minimum gb energy = 0.29534150940361353 eV
minimum distance =  2.54326291608494 Angstroms
sigma value = 113


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

Energy: 0.011885077325094154
Energy: 0.2767839095116675
Energy: 0.6423432575032355
Energy: 0.2767839095116675
Energy: 0.4252360892676441
Energy: 0.0624251912363032
Energy: 0.42513221079840907
Energy: 0.062425191236657386
Energy: 0.012161025207273765
Energy: 0.062426557849700894
Energy: 0.42542252965377325
Energy: 0.06242655784936639
Energy: 0.013242439254129936
Energy: 0.061860845523549174
Energy: 0.4245195178268957
Energy: 0.061860845523194985
Energy: 0.42465082309889185
Energy: 0.0616849674191606
Energy: 0.4247426470500947
Energy: 0.06168496741984929
Energy: 0.012136488584548381
Energy: 0.06189147567658153
Energy: 0.4248364448649273
Energy: 0.06189147567589284

minimum gb energy = 0.011885077325094154 eV
minimum distance =  2.82420866854582 Angstroms
sigma value = 1