Model name: model_name=Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Fe__SM_042630680993_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.604343503713608
cohesive_energy=4.24678472710697
mass=55.845
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: 0.016508656819250234
Energy: 1.2763891156388432
Energy: 0.016508656818934767
Energy: 1.2763891156394742
Energy: 0.016508656818934767
Energy: 1.2763891156391587
Energy: 1.2763891156391587
Energy: 0.016590354167881502
Energy: 1.2763891156388432
Energy: 0.016590354167566032
Energy: 1.2763891156391587
Energy: 0.016590354167566032
Energy: 0.016508656818934767
Energy: 1.2763891156388432
Energy: 0.016508656818934767
Energy: 1.2763891156394742
Energy: 0.016508656818934767
Energy: 1.2763891156391587
Energy: 1.2763891156394742
Energy: 0.016590354167566032
Energy: 1.2763891156394742
Energy: 0.016590354167566032
Energy: 1.2763891156394742
Energy: 0.016590354167566032
Energy: 0.016508656819250234
Energy: 1.2763891156388432
Energy: 0.016508656818934767
Energy: 1.2763891156394742
Energy: 0.016508656818934767
Energy: 1.2763891156391587
Energy: 1.2763891156391587
Energy: 0.016590354167566032
Energy: 1.2763891156394742
Energy: 0.016590354167881502
Energy: 1.2763891156394742
Energy: 0.016590354167881502

minimum gb energy = 0.016508656818934767 eV
minimum distance =  2.54750248867552 Angstroms
sigma value = 1


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

Energy: 1.1776647800922844
Energy: 1.0329109665928407
Energy: 1.1776647800907656
Energy: 1.0329109665943594
Energy: 1.1776647800900064
Energy: 1.0329109665943594
Energy: 1.3616558518483923
Energy: 0.9319027640949645
Energy: 1.3616558518468735
Energy: 0.9319027640949645
Energy: 1.3616558518468735
Energy: 0.9319027640949645
Energy: 1.0732602383667267
Energy: 1.085595698482174
Energy: 1.073260238367486
Energy: 1.085595470944974
Energy: 1.0732602383659675
Energy: 1.0855951557462722
Energy: 1.2060542448594231
Energy: 1.0108689356007134
Energy: 1.2060542448594231
Energy: 1.010868935599954
Energy: 1.2060542448579046
Energy: 1.010868935599954
Energy: 1.0803736670815576
Energy: 1.1516822383934284
Energy: 1.0803736670807982
Energy: 1.1516822383941878
Energy: 1.0803736670807982
Energy: 1.151682238394947
Energy: 1.1213635169841536
Energy: 0.9906225958882854
Energy: 1.1213635169841536
Energy: 0.9906225958882854
Energy: 1.1213635169864316
Energy: 0.9906225958860073
Energy: 1.0756515765797126
Energy: 1.1472782941133801
Energy: 1.0756515761759382
Energy: 1.147278294073893
Energy: 1.0756515751201465
Energy: 1.14727829398201
Energy: 1.011034749047775
Energy: 1.244973187880081
Energy: 1.011034749047775
Energy: 1.244973187880081
Energy: 1.011034749047775
Energy: 1.244973187880081
Energy: 1.1471849072019507
Energy: 1.1497253084378312
Energy: 1.1471849072004316
Energy: 1.1497253084385906
Energy: 1.1471849071996723
Energy: 1.1497253084378312
Energy: 0.9300942459094168
Energy: 1.2294534370833932
Energy: 0.9300942459094168
Energy: 0.6269879948069909
Energy: 0.9300942459094168
Energy: 0.6268071938173176
Energy: 1.1118359841389656
Energy: 0.9960861002492443
Energy: 0.6327940815485057
Energy: 0.996086100248485
Energy: 0.632718307266646
Energy: 0.9960861002492443
Energy: 0.8815734920959631
Energy: 1.111691512131129
Energy: 0.8815734920959631
Energy: 1.1116670758109704
Energy: 0.8815734920959631
Energy: 0.6647889537889513
Energy: 1.2513793696873003
Energy: 0.8686785695205591
Energy: 1.2513793696857818
Energy: 0.8686785695205591
Energy: 1.25137936968806
Energy: 0.8686785695205591
Energy: 1.0111890095759455
Energy: 1.0948760802041035
Energy: 1.0111890095759455
Energy: 1.0948759698416297
Energy: 1.011189009575186
Energy: 1.094875666155089
Energy: 1.3067818498967718
Energy: 0.9337202899411788
Energy: 1.3067818498998094
Energy: 0.9337202899396602
Energy: 1.3067818498990498
Energy: 0.9337202899396602
Energy: 1.3303031795409237
Energy: 1.1400842175776602
Energy: 1.3303031795409237
Energy: 1.1400842175776602
Energy: 1.3303031795424423
Energy: 1.1400842175776602
Energy: 1.1331979646831627
Energy: 1.0954675008620618
Energy: 1.133197964675569
Energy: 1.0954675008628214
Energy: 1.1331979646619006
Energy: 1.0954675008620618
Energy: 1.1332146570913877
Energy: 1.0271230834110598
Energy: 1.1332146570670878
Energy: 1.0271230833701233
Energy: 1.13321465702836
Energy: 1.0271230832417908
Energy: 1.0114296511112792
Energy: 1.010161070916531
Energy: 1.0114296511120386
Energy: 1.0101610709052093
Energy: 1.0114296511120386
Energy: 1.01016107085661
Energy: 1.1108245971998345
Energy: 0.9906656004856104
Energy: 1.1108245971983157
Energy: 0.9906656004856104
Energy: 1.1108245971998345
Energy: 0.9906656004833321
Energy: 0.9490420262007168
Energy: 1.2272643711008695
Energy: 0.9490420261999575
Energy: 1.227264371101629
Energy: 0.9490420261999575
Energy: 1.2272643710849231
Energy: 1.1514176046312457
Energy: 1.1490647324352827
Energy: 1.1514176046312457
Energy: 1.1490647324345233
Energy: 1.1514176046297269
Energy: 1.149064732436042
Energy: 0.9151318606893404
Energy: 1.294488447342238
Energy: 0.8615142739237436
Energy: 1.2944884473452751
Energy: 0.8615142739237436
Energy: 1.2944884473437566

minimum gb energy = 0.6268071938173176 eV
minimum distance =  2.32541154305774 Angstroms
sigma value = 33


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

Energy: 1.2089428355194014
Energy: 1.2232078350780549
Energy: 1.208942835521993
Energy: 1.223207835077191
Energy: 1.2089428355206973
Energy: 1.2232078350810784
Energy: 1.2488250489345103
Energy: 1.0469319643090635
Energy: 1.2488250448710534
Energy: 1.0469319643112234
Energy: 1.2488250353612778
Energy: 1.0469319643107915
Energy: 0.8856381957661177
Energy: 1.0453892526025144
Energy: 0.8856381957656858
Energy: 1.0453892525960353
Energy: 0.8856381957656858
Energy: 1.045389252575303
Energy: 1.1082942758709085
Energy: 1.1081094480529001
Energy: 1.1082942758704764
Energy: 0.7623991638180618
Energy: 1.1082942758691807
Energy: 0.7623350964329619
Energy: 1.0469432900474023
Energy: 1.0985563164214711
Energy: 1.0469432900465385
Energy: 1.0985563163977543
Energy: 1.0469432900478342
Energy: 1.0985563163930032
Energy: 1.044712495262213
Energy: 0.8854742553326286
Energy: 1.0447124949431394
Energy: 0.8854742553330606
Energy: 1.0447124941634391
Energy: 0.8854742553334923
Energy: 1.2231036410141696
Energy: 1.198117596638481
Energy: 1.2231033919019532
Energy: 1.1981175966402087
Energy: 1.2231027512981323
Energy: 1.198117596639345
Energy: 0.8762559576912516
Energy: 1.1967041188153418
Energy: 0.8762559576903879
Energy: 1.19670411881491
Energy: 0.8762559576899558
Energy: 1.1967041188153418
Energy: 1.073082706167784
Energy: 0.8899480199710129
Energy: 1.0730827061673522
Energy: 0.8899480199705809
Energy: 1.0730827061651926
Energy: 0.8899480199697171
Energy: 0.8475727287542529
Energy: 1.1238546374461202
Energy: 0.8475727287538208
Energy: 1.1238535834523353
Energy: 0.8475727287538208
Energy: 1.1238509453733774
Energy: 1.1242214292079944
Energy: 0.8506707778052495
Energy: 1.1242065374120582
Energy: 0.8506707778056815
Energy: 0.7630839072846866
Energy: 0.8506707778052495
Energy: 0.8872461720168445
Energy: 0.941051077519801
Energy: 0.8872461720172765
Energy: 0.9410510775189371
Energy: 0.8872461720172765
Energy: 0.9410510775193689
Energy: 1.2522709724311631
Energy: 0.874307451079891
Energy: 1.2522709532657401
Energy: 0.874307451079891
Energy: 1.2522709017385736
Energy: 0.874307451079459
Energy: 1.1980520007696294
Energy: 1.2234880035949993
Energy: 1.1980520007700612
Energy: 1.2234879949258253
Energy: 1.1980520007700612
Energy: 1.2234879708157824
Energy: 1.066275207977785
Energy: 1.0452759450104676
Energy: 1.0662752079510451
Energy: 1.0452759450096036
Energy: 1.0662752079605473
Energy: 1.0452759450104676
Energy: 0.885574647312958
Energy: 1.0448111515992946
Energy: 0.885574647312958
Energy: 1.0448111516010226
Energy: 0.8855746473125261
Energy: 1.0448111515984309
Energy: 1.109095080529751
Energy: 1.108981321671081
Energy: 1.1090950679693792
Energy: 1.108981321671513
Energy: 1.109095044025548
Energy: 1.1089813216693534
Energy: 1.0450459361130866
Energy: 0.8855241595600452
Energy: 1.0450459361091993
Energy: 0.8855241595600452
Energy: 1.0450459361083353
Energy: 0.8855241595587492
Energy: 1.0465451891340647
Energy: 1.0659942869884258
Energy: 1.0465451891357922
Energy: 1.065994286976764
Energy: 1.0465451891349284
Energy: 1.0659942869214778
Energy: 1.2253036476111316
Energy: 1.2007143989471658
Energy: 1.2253036476081085
Energy: 1.2007143989484617
Energy: 1.2253036476102679
Energy: 1.2007143989497573
Energy: 0.8734323196993372
Energy: 1.2638414630500467
Energy: 0.8734323196997693
Energy: 1.263841114001474
Energy: 0.8734323196997693
Energy: 1.2638403137182406
Energy: 1.045147719289057
Energy: 0.8902641170985189
Energy: 1.0451477192648693
Energy: 0.8902641170989509
Energy: 1.0451477191845708
Energy: 0.8902641170989509
Energy: 0.8477948948396947
Energy: 0.7637850591089317
Energy: 0.847794894839263
Energy: 0.7641695544084368
Energy: 0.847794894839263
Energy: 0.7640078486571571
Energy: 1.12729716933629
Energy: 1.046376852369496
Energy: 1.1272971693349942
Energy: 1.0463768523703598
Energy: 1.127297169336722
Energy: 1.0463768523699277
Energy: 0.8854223623877929
Energy: 1.1000612084962844
Energy: 0.8854223623873612
Energy: 1.1000612084971484
Energy: 0.8854223623886568
Energy: 1.1000612084967165
Energy: 1.1968108120640655
Energy: 1.226090264515431
Energy: 1.1968108120640655
Energy: 1.2260902645145673
Energy: 1.1968108120644974
Energy: 1.2260902645145673
Energy: 1.19677772237445
Energy: 1.226093926901411
Energy: 1.196777722375746
Energy: 1.2260939268992515
Energy: 1.196777722375746
Energy: 1.226093926897524
Energy: 0.8854767073939167
Energy: 1.1002441524714106
Energy: 0.8854767073943487
Energy: 1.1002441524731386
Energy: 0.8854767073947806
Energy: 1.100244152474002
Energy: 1.1275183555342236
Energy: 1.0468353514757045
Energy: 1.1275183555311998
Energy: 1.046835351476961
Energy: 1.127518355531632
Energy: 1.0468353514744086
Energy: 0.8478134671625511
Energy: 0.763068704565978
Energy: 0.8478134671625511
Energy: 0.7638014802516027
Energy: 0.8478134671625511
Energy: 0.7634033705758742
Energy: 1.0453984574962578
Energy: 0.89010535597335
Energy: 1.0453984574544006
Energy: 0.8901053559729181
Energy: 1.0453984573961301
Energy: 0.89010535597335
Energy: 0.873436321755812
Energy: 1.2633264518438612
Energy: 0.87343632175538
Energy: 1.2633226673063298
Energy: 0.873436321755812
Energy: 1.2633116256979264
Energy: 1.2252947653940134
Energy: 1.2007347131556625
Energy: 1.225294765395741
Energy: 1.2007347131552306
Energy: 1.2252947653935815
Energy: 1.2007347131552306
Energy: 1.0465544215580957
Energy: 1.0657972861492178
Energy: 1.046554421557232
Energy: 1.0657972860978582
Energy: 1.0465544215585276
Energy: 1.0657972859415805
Energy: 1.044977855274192
Energy: 0.8856098655979943
Energy: 1.0449778552776474
Energy: 0.8856098655988581
Energy: 1.0449778552733282
Energy: 0.8856098655988581
Energy: 1.1093672769617697
Energy: 1.10883131121742
Energy: 1.1093672725900767
Energy: 1.1088313112191477
Energy: 1.1093672493792983
Energy: 1.1088313112200114
Energy: 0.8855170801567035
Energy: 1.0447756558075152
Energy: 0.8855170801562715
Energy: 1.0447756558070833
Energy: 0.8855170801567035
Energy: 1.044775655803196
Energy: 1.0661739835065969
Energy: 1.0452580091908692
Energy: 1.0661739835096202
Energy: 1.0452580091887094
Energy: 1.0661739835078927
Energy: 1.0452580091865498
Energy: 1.1980124890805073
Energy: 1.2237409007928566
Energy: 1.1980124890809394
Energy: 1.223740894584154
Energy: 1.1980124890813715
Energy: 1.2237408781731456
Energy: 1.2522762673887813
Energy: 0.8744129996081011
Energy: 1.2522762673421335
Energy: 0.8744129996076693
Energy: 1.2522762672260246
Energy: 0.8744129996081011
Energy: 0.8870689023062248
Energy: 0.9410336313270428
Energy: 0.8870689023062248
Energy: 0.9410336313266108
Energy: 0.8870689023070887
Energy: 0.941033631325747

minimum gb energy = 0.7623350964329619 eV
minimum distance =  2.35340170380743 Angstroms
sigma value = 51


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

Energy: 1.1314552244484706
Energy: 1.1284213831199639
Energy: 1.1314552244484706
Energy: 1.1284213831199639
Energy: 1.1314552244484706
Energy: 1.128421383118963
Energy: 1.1831919661647237
Energy: 1.0143533449414328
Energy: 1.183177319227463
Energy: 1.0143533449414328
Energy: 1.1831327823774187
Energy: 1.0143533449424338
Energy: 0.9978147596763911
Energy: 1.0650402540732327
Energy: 0.9978147596773919
Energy: 0.6279828347591969
Energy: 0.9978147596763911
Energy: 0.6280312039423962
Energy: 1.08827536809746
Energy: 0.9002997450444825
Energy: 1.0882753680984607
Energy: 0.9002997450444825
Energy: 1.08827536809746
Energy: 0.9002997450444825
Energy: 1.1223652896140974
Energy: 1.0938019104760082
Energy: 1.1223652896140974
Energy: 1.093801910477009
Energy: 1.1223652896150984
Energy: 1.0938019104750076
Energy: 1.1554107121758943
Energy: 1.0937802694551422
Energy: 1.1554107121748936
Energy: 1.0937802694541414
Energy: 1.1554107121748936
Energy: 1.0937802694541414
Energy: 1.0446268987426073
Energy: 1.0937261780949552
Energy: 1.0446254881941746
Energy: 1.0937261780949552
Energy: 1.0446215827418859
Energy: 1.0937261780929537
Energy: 1.0001575213844722
Energy: 1.0942983016211751
Energy: 1.0001575213844722
Energy: 1.0942983014591432
Energy: 1.0001575213844722
Energy: 1.0942983010990057
Energy: 1.264850975105181
Energy: 0.8970201157503904
Energy: 1.2648509750521406
Energy: 0.8970201157503904
Energy: 1.2648509749260906
Energy: 0.8970201157503904
Energy: 0.9272431423661535
Energy: 1.2458793202823055
Energy: 0.9272431423651528
Energy: 1.2458793202823055
Energy: 0.9272431423651528
Energy: 1.2458793202793033
Energy: 1.2634474315823958
Energy: 0.903523496724699
Energy: 1.263444170634639
Energy: 0.903523496724699
Energy: 1.2634354076264174
Energy: 0.903523496724699
Energy: 1.1308797205238021
Energy: 1.1288577047961823
Energy: 1.1308797205258037
Energy: 1.128857704797183
Energy: 1.130879720524803
Energy: 1.128857704797183
Energy: 1.3340606120836507
Energy: 1.0144511016194049
Energy: 1.3340606120846514
Energy: 1.0144511016194049
Energy: 1.3340606120846514
Energy: 1.0144511016194049
Energy: 1.071665778039663
Energy: 1.028354583221799
Energy: 1.071665778039663
Energy: 1.028354583221799
Energy: 1.071665778039663
Energy: 1.0283545832238008
Energy: 1.0955579336626906
Energy: 1.131108331375113
Energy: 1.0955579336616894
Energy: 1.131108331375113
Energy: 1.0955579336616894
Energy: 1.131108331374112
Energy: 1.1503410404698182
Energy: 1.0937649911064768
Energy: 1.1503410404688172
Energy: 1.093764991105476
Energy: 1.1503410404698182
Energy: 1.0937649911064768
Energy: 1.122401910597424
Energy: 1.2141177518905917
Energy: 1.122401910597424
Energy: 1.214117751889591
Energy: 1.122401910597424
Energy: 1.2141177518905917
Energy: 1.0456362301469027
Energy: 1.0963863301012786
Energy: 1.0456362301479034
Energy: 1.0963863301012786
Energy: 1.0456362301479034
Energy: 1.0963863301022794

minimum gb energy = 0.6279828347591969 eV
minimum distance =  2.26869055583142 Angstroms
sigma value = 19


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

Energy: 0.8850336570989689
Energy: 0.8650640848451852
Energy: 0.8850336570989689
Energy: 0.8650640848451852
Energy: 0.8850336570989689
Energy: 0.8650640848451852
Energy: 0.9670061203982657
Energy: 1.1435078103326415
Energy: 0.9670061203982657
Energy: 1.1435078103326415
Energy: 0.9670061203976721
Energy: 1.1435078103326415
Energy: 0.8191753304215047
Energy: 1.1397413676851431
Energy: 0.8191753304215047
Energy: 1.1397413676845494
Energy: 0.8191753304215047
Energy: 1.1397413676851431
Energy: 0.9246034229511239
Energy: 0.81918247911199
Energy: 0.9246034229505303
Energy: 0.81918247911199
Energy: 0.9246034229505303
Energy: 0.81918247911199
Energy: 0.8622146084348032
Energy: 0.8809038713192612
Energy: 0.8622146084348032
Energy: 0.8809038713192612
Energy: 0.8622146084348032
Energy: 0.8809038713192612
Energy: 0.8621735297690875
Energy: 0.8809330680224575
Energy: 0.8621735297690875
Energy: 0.8809330680224575
Energy: 0.8621735297690875
Energy: 0.8809330680224575
Energy: 0.9248153599665457
Energy: 0.8191738909055961
Energy: 0.9248153599671393
Energy: 0.8191738909055961
Energy: 0.9248153599671393
Energy: 0.8191738909055961
Energy: 0.8190413279275165
Energy: 1.13980469806054
Energy: 0.819041327926923
Energy: 1.1398046980611338
Energy: 0.8190413279275165
Energy: 1.13980469806054
Energy: 0.9670241003755413
Energy: 1.1435271699560041
Energy: 0.9670241003720067
Energy: 1.1435271699554104
Energy: 0.9670241003743542
Energy: 1.1435271699548166
Energy: 0.8850336570989689
Energy: 0.8650640848451852
Energy: 0.8850336570989689
Energy: 0.8650640848457787
Energy: 0.8850336570989689
Energy: 0.8650640848457787
Energy: 0.9670061203970785
Energy: 1.143507810333235
Energy: 0.9670061203976721
Energy: 1.1435078103326415
Energy: 0.9670061203964847
Energy: 1.143507810332048
Energy: 0.8191753304215047
Energy: 1.1397413676851431
Energy: 0.8191753304215047
Energy: 1.1397413676845494
Energy: 0.819175330420911
Energy: 1.1397413676845494
Energy: 0.9246034229505303
Energy: 0.81918247911199
Energy: 0.9246034229505303
Energy: 0.81918247911199
Energy: 0.9246034229505303
Energy: 0.81918247911199
Energy: 0.8622146084348032
Energy: 0.8809038713198547
Energy: 0.8622146084348032
Energy: 0.8809038713192612
Energy: 0.8622146084348032
Energy: 0.8809038713192612
Energy: 0.8621735297684939
Energy: 0.8809330680218638
Energy: 0.8621735297690875
Energy: 0.8809330680224575
Energy: 0.8621735297684939
Energy: 0.8809330680218638
Energy: 0.9248153599671393
Energy: 0.8191738909050026
Energy: 0.9248153599671393
Energy: 0.8191738909055961
Energy: 0.9248153599671393
Energy: 0.8191738909055961
Energy: 0.819041327926923
Energy: 1.1398046980611338
Energy: 0.8190413279275165
Energy: 1.1398046980611338
Energy: 0.819041327926923
Energy: 1.1398046980599466
Energy: 0.9670241003737605
Energy: 1.1435271699560041
Energy: 0.9670241003737605
Energy: 1.1435271699554104
Energy: 0.9670241003743542
Energy: 1.143527169954223
Energy: 0.8850336570989689
Energy: 0.8650640848451852
Energy: 0.8850336570989689
Energy: 0.8650640848451852
Energy: 0.8850336570989689
Energy: 0.8650640848451852
Energy: 0.9670061203958912
Energy: 1.1435078103326415
Energy: 0.9670061203976721
Energy: 1.1435078103326415
Energy: 0.9670061203958912
Energy: 1.1435078103326415
Energy: 0.8191753304215047
Energy: 1.1397413676851431
Energy: 0.8191753304215047
Energy: 1.1397413676845494
Energy: 0.8191753304215047
Energy: 1.1397413676839556
Energy: 0.9246034229505303
Energy: 0.81918247911199
Energy: 0.9246034229505303
Energy: 0.8191824791125838
Energy: 0.9246034229511239
Energy: 0.81918247911199
Energy: 0.8622146084348032
Energy: 0.8809038713192612
Energy: 0.8622146084348032
Energy: 0.8809038713192612
Energy: 0.8622146084348032
Energy: 0.8809038713192612
Energy: 0.8621735297684939
Energy: 0.8809330680218638
Energy: 0.8621735297684939
Energy: 0.8809330680218638
Energy: 0.8621735297690875
Energy: 0.8809330680224575
Energy: 0.9248153599671393
Energy: 0.8191738909055961
Energy: 0.9248153599671393
Energy: 0.8191738909055961
Energy: 0.9248153599671393
Energy: 0.8191738909050026
Energy: 0.819041327926923
Energy: 1.1398046980617274
Energy: 0.819041327926923
Energy: 1.1398046980611338
Energy: 0.81904132792811
Energy: 1.13980469806054
Energy: 0.9670241003749477
Energy: 1.1435271699554104
Energy: 0.9670241003743542
Energy: 1.1435271699548166
Energy: 0.9670241003726002
Energy: 1.143527169954223
Energy: 0.8850336570995626
Energy: 0.8650640848451852
Energy: 0.8850336570989689
Energy: 0.8650640848451852
Energy: 0.8850336570989689
Energy: 0.8650640848451852
Energy: 0.9670061203964847
Energy: 1.1435078103326415
Energy: 0.9670061203958912
Energy: 1.1435078103326415
Energy: 0.9670061203970785
Energy: 1.143507810332048
Energy: 0.8191753304215047
Energy: 1.1397413676845494
Energy: 0.8191753304215047
Energy: 1.1397413676851431
Energy: 0.8191753304215047
Energy: 1.1397413676845494

minimum gb energy = 0.819041327926923 eV
minimum distance =  2.28791835011068 Angstroms
sigma value = 27


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

Energy: 0.8541804479383522
Energy: 0.8268781509656876
Energy: 0.8541804479383522
Energy: 0.8268781509656876
Energy: 0.8541804479383522
Energy: 0.8268781509656876
Energy: 0.9316242318186025
Energy: 0.8544538614550026
Energy: 0.9316242177218482
Energy: 0.8544538614550026
Energy: 0.931624176043419
Energy: 0.8544538614550026
Energy: 0.8460744917611716
Energy: 0.9624494253111024
Energy: 0.8460744896725969
Energy: 0.9624494253111024
Energy: 0.8460744933788253
Energy: 0.9624494253111024
Energy: 1.019549584787103
Energy: 0.8040452196777272
Energy: 1.019549584787103
Energy: 0.8040452196777272
Energy: 1.019549584788557
Energy: 0.8040452196762731
Energy: 1.016997922301635
Energy: 0.8042313993461105
Energy: 1.016997922301635
Energy: 0.8042313993446567
Energy: 1.0169979223001808
Energy: 0.8042313993461105
Energy: 1.0311544574860785
Energy: 1.0830871833175464
Energy: 1.0311544574875326
Energy: 1.083087183314638
Energy: 1.0311544574889866
Energy: 1.0830871833073676
Energy: 0.9650236685396182
Energy: 0.8583131414691465
Energy: 0.9650236685410724
Energy: 0.8583131414691465
Energy: 0.9650236685396182
Energy: 0.8583131414691465
Energy: 0.8528449904422876
Energy: 0.828273957259314
Energy: 0.8528449904422876
Energy: 0.8282739572607681
Energy: 0.8528449904422876
Energy: 0.8282739572607681
Energy: 1.0164197436411497
Energy: 0.8463661033282842
Energy: 1.0164197436382416
Energy: 0.8463661032701545
Energy: 1.0164197436280633
Energy: 0.8463661033282842
Energy: 0.9380858291243757
Energy: 1.0409980042731863
Energy: 0.9380858291243757
Energy: 1.04099800426737
Energy: 0.9380858291258297
Energy: 1.0409980042484672
Energy: 0.8278743527621734
Energy: 0.8066756322303112
Energy: 0.8278743527621734
Energy: 0.8066756322303112
Energy: 0.8278743527621734
Energy: 0.8066756322303112
Energy: 1.0695395051543404
Energy: 0.9931955300267752
Energy: 1.0695395051557943
Energy: 0.9931955300093263
Energy: 1.0695395051543404
Energy: 0.9931955299570128

minimum gb energy = 0.8040452196762731 eV
minimum distance =  2.25904419077875 Angstroms
sigma value = 9


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

Energy: 0.9425803720857138
Energy: 0.748926016728449
Energy: 0.9425803720853053
Energy: 0.7489260167288576
Energy: 0.9425803720861223
Energy: 0.748926016727632
Energy: 0.8296218208066077
Energy: 0.7749893199372262
Energy: 0.8296218207759659
Energy: 0.7749893199372262
Energy: 0.8296218207800513
Energy: 0.7749893199368177
Energy: 0.7249803101151124
Energy: 0.8399909648854244
Energy: 0.7249803101142953
Energy: 0.8399909648592766
Energy: 0.7249803101147039
Energy: 0.8399909648539653
Energy: 0.7796238531779051
Energy: 0.7405969452426518
Energy: 0.779623853177088
Energy: 0.7405969452430604
Energy: 0.779623853177088
Energy: 0.740596945243469
Energy: 0.7979118270513559
Energy: 0.748980896573288
Energy: 0.7979118270513559
Energy: 0.7489808965724709
Energy: 0.7979118270509474
Energy: 0.7489808965720623
Energy: 0.8576528903832397
Energy: 0.8442982336863122
Energy: 0.8576528899299252
Energy: 0.8442563866569985
Energy: 0.857652887602181
Energy: 0.6378212850315046
Energy: 0.8277855664539454
Energy: 0.8085877857687975
Energy: 0.8277855658768747
Energy: 0.8085877857696147
Energy: 0.8277855634502964
Energy: 0.8085877857667547
Energy: 0.7249836873117067
Energy: 0.8305053546347195
Energy: 0.7249836873117067
Energy: 0.8305053546347195
Energy: 0.7249836873117067
Energy: 0.8305053546351282
Energy: 0.7979847056365691
Energy: 0.7491156467678349
Energy: 0.797992601447735
Energy: 0.7491156467682435
Energy: 0.7979750881109771
Energy: 0.7491156467690606
Energy: 0.7565164614922599
Energy: 0.9198599039778813
Energy: 0.7565164614934856
Energy: 0.9198599039778813
Energy: 0.7565164614934856
Energy: 0.919859903979107
Energy: 0.77682469453656
Energy: 0.7508712983551825
Energy: 0.7768246945361514
Energy: 0.7508712983527313
Energy: 0.776824694537377
Energy: 0.7508712983543654
Energy: 0.7648947777168437
Energy: 0.9013914084503949
Energy: 0.7648947777168437
Energy: 0.9013911362269567
Energy: 0.7648947777168437
Energy: 0.9013903668695149
Energy: 0.631763291786395
Energy: 0.822794326162367
Energy: 0.6299476288022872
Energy: 0.8227943257580798
Energy: 0.6299854734408977
Energy: 0.8227943244916964
Energy: 0.9345088686320105
Energy: 0.6772155809959819
Energy: 0.9345088684952176
Energy: 0.6793643644121957
Energy: 0.9345088681093155
Energy: 0.6790634517103845
Energy: 0.7523387625078233
Energy: 0.7881460398126843
Energy: 0.7523387625082318
Energy: 0.7881460398122756
Energy: 0.7523387625082318
Energy: 0.7881460398135014
Energy: 0.8814728580275668
Energy: 0.8289310553925261
Energy: 0.8810983291609031
Energy: 0.8289310515754372
Energy: 0.6652847713444178
Energy: 0.8289310425768217
Energy: 0.9846649881818444
Energy: 0.740995959911001
Energy: 0.984664988181436
Energy: 0.7409959599105924
Energy: 0.984664988181436
Energy: 0.740995959911001
Energy: 0.7684299263003258
Energy: 0.7564685958710898
Energy: 0.7684299263003258
Energy: 0.7564685958710898
Energy: 0.7684299262991001
Energy: 0.7564685958710898
Energy: 0.7197087948721939
Energy: 0.9760004268051607
Energy: 0.7197087948705596
Energy: 0.9760004266875332
Energy: 0.7197087948726025
Energy: 0.9760004263628776
Energy: 0.9194924753916727
Energy: 0.6930786383985317
Energy: 0.9194924753920812
Energy: 0.6930786383985317
Energy: 0.9194924753924898
Energy: 0.6930786383989402
Energy: 0.7198125366224464
Energy: 0.9760065928332017
Energy: 0.7198125366220378
Energy: 0.9760065928197564
Energy: 0.7198125366216293
Energy: 0.9760065927592899
Energy: 0.7684018549080212
Energy: 0.756458477064513
Energy: 0.7684018549076126
Energy: 0.7564584770641044
Energy: 0.7684018549059783
Energy: 0.756458477064513
Energy: 0.9845302027843253
Energy: 0.7412538093025359
Energy: 0.9845302027859595
Energy: 0.7412538093021274
Energy: 0.9845302027847338
Energy: 0.7412538093009017
Energy: 0.8814660022605805
Energy: 0.9181154720805371
Energy: 0.8814465824093356
Energy: 0.918115471865301
Energy: 0.6654862259029762
Energy: 0.9181154712886762
Energy: 0.7529369898211977
Energy: 0.7884992701294398
Energy: 0.7529369898211977
Energy: 0.7884992701290312
Energy: 0.7529369898211977
Energy: 0.7884992701302569
Energy: 0.9342758251490434
Energy: 0.8211794220964653
Energy: 0.9342758245736442
Energy: 0.8211794220960567
Energy: 0.9342758230001734
Energy: 0.8211794220956482
Energy: 0.9565341078905254
Energy: 0.8227278484383492
Energy: 0.9565326815892887
Energy: 0.8227278479487103
Energy: 0.9565283961445922
Energy: 0.8227278464867389
Energy: 0.7649868730576137
Energy: 0.8386071507077854
Energy: 0.7649868730576137
Energy: 0.8386071484437392
Energy: 0.7649868730580223
Energy: 0.838607141864348
Energy: 0.7767069152100239
Energy: 0.7517578278332526
Energy: 0.7767069152112497
Energy: 0.7517578278336612
Energy: 0.7767069152124754
Energy: 0.7517578278336612
Energy: 0.7560773249099767
Energy: 1.119609940139769
Energy: 0.7560773249099767
Energy: 1.1196099350452657
Energy: 0.7560773249095681
Energy: 1.1196099219677866
Energy: 0.7984234877534885
Energy: 0.7489707717680302
Energy: 0.7984223058023341
Energy: 0.7489707717684387
Energy: 0.7984181452296113
Energy: 0.7489707717680302
Energy: 0.7249067800872722
Energy: 0.830407015828187
Energy: 0.7249067800868636
Energy: 0.830407015828187
Energy: 0.7249067800868636
Energy: 0.8304070158298213
Energy: 0.8276040690636771
Energy: 0.8068785971034814
Energy: 0.8276040667947281
Energy: 0.8068785970834621
Energy: 0.8276040613077486
Energy: 0.8068785970213984
Energy: 0.8577575427506404
Energy: 0.8339062433150438
Energy: 0.8577575417525688
Energy: 0.8339022091628064
Energy: 0.8577575392867688
Energy: 0.45653349495301354
Energy: 0.7978364532251196
Energy: 0.7493521155325567
Energy: 0.7978364532247112
Energy: 0.7493521155321481
Energy: 0.7978364532243025
Energy: 0.7493521155321481
Energy: 0.7794336203054932
Energy: 0.7417894807718075
Energy: 0.7794336203046761
Energy: 0.7417894807705817
Energy: 0.7794336203054932
Energy: 0.741789480771399
Energy: 0.7248910620805586
Energy: 0.8398063248268204
Energy: 0.7248910620781073
Energy: 0.8398063248211005
Energy: 0.7248910620789244
Energy: 0.8398063248198746
Energy: 0.8286163179444749
Energy: 0.7374910609463076
Energy: 0.8286163179432493
Energy: 0.7374910609463076
Energy: 0.8286163179424322
Energy: 0.7896572795575495
Energy: 0.9425803720861223
Energy: 0.7489260167268149
Energy: 0.9425803720861223
Energy: 0.7489260167272235
Energy: 0.9425803720861223
Energy: 0.7489260167272235
Energy: 0.8296218208057906
Energy: 0.7749893199368177
Energy: 0.8296218207796429
Energy: 0.7749893199368177
Energy: 0.82962182078046
Energy: 0.7749893199364092
Energy: 0.7249803101151124
Energy: 0.8399909648837902
Energy: 0.7249803101151124
Energy: 0.8399909648576424
Energy: 0.7249803101147039
Energy: 0.8399909648507341
Energy: 0.779623853177088
Energy: 0.7405969452414262
Energy: 0.7796238531762709
Energy: 0.7405969452422433
Energy: 0.7796238531766795
Energy: 0.7405969452438775
Energy: 0.7979118270513559
Energy: 0.7489808965712453
Energy: 0.7979118270509474
Energy: 0.7489808965712453
Energy: 0.7979118270509474
Energy: 0.7489808965712453

minimum gb energy = 0.45653349495301354 eV
minimum distance =  2.35007010811085 Angstroms
sigma value = 57


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

Energy: 0.97522348931883
Energy: 0.7306973095254261
Energy: 0.40869481031833527
Energy: 0.7306973095244962
Energy: 0.97522348931883
Energy: 0.7306973095244962
Energy: 0.8083353159450695
Energy: 0.6945134566552876
Energy: 0.8083353159450695
Energy: 0.698657696913709
Energy: 0.8083353159441394
Energy: 0.6945134566552876
Energy: 0.7682955780072009
Energy: 0.4793018651992132
Energy: 0.7682955780072009
Energy: 0.45433965956809697
Energy: 0.7682955780072009
Energy: 0.47930192252851966
Energy: 0.7995829897452814
Energy: 0.5160947773287867
Energy: 0.7995829897452814
Energy: 0.5160418452387382
Energy: 0.7995829897452814
Energy: 0.5160947773297168
Energy: 0.3675577066002852
Energy: 0.08558426676137731
Energy: 0.3675577066002852
Energy: 0.08558426635419467
Energy: 0.36755770660121523
Energy: 0.08558426579085203
Energy: 0.6716213335481035
Energy: 0.6885419956713168
Energy: 0.3615341085011629
Energy: 0.6885419957001476
Energy: 0.6716213335471733
Energy: 0.688541995709448
Energy: 0.674313410844092
Energy: 0.35790111791170653
Energy: 0.3615747900951025
Energy: 0.35790111791263657
Energy: 0.6743134108431619
Energy: 0.35790111791170653
Energy: 0.47164372658217946
Energy: 0.37294751690489353
Energy: 0.4716437145892297
Energy: 0.37294751690489353
Energy: 0.4716437283103384
Energy: 0.37294751690489353
Energy: 0.7806171720658557
Energy: 0.5157760402106331
Energy: 0.7806171720658557
Energy: 0.5156445817593411
Energy: 0.7806171720658557
Energy: 0.5157760402115631
Energy: 0.35762667432060824
Energy: 0.6930834850801273
Energy: 0.35762667432060824
Energy: 0.693083485227917
Energy: 0.35762667432060824
Energy: 0.6930834852799985
Energy: 0.37692523628759267
Energy: 0.7054928066179511
Energy: 0.37692523628759267
Energy: 0.705492806618881
Energy: 0.37692523628759267
Energy: 0.7054928066207412
Energy: 0.97522348931883
Energy: 0.7306973095254261
Energy: 0.4086948103174053
Energy: 0.7306973095254261
Energy: 0.97522348931883
Energy: 0.7306973095244962
Energy: 0.8083353159450695
Energy: 0.6945134566562177
Energy: 0.8083353159441394
Energy: 0.698657696913709
Energy: 0.8083353159450695
Energy: 0.6945134566552876
Energy: 0.7682955780072009
Energy: 0.4793019093661034
Energy: 0.7682955780072009
Energy: 0.4543396595030373
Energy: 0.7682955780062708
Energy: 0.4793019249566929
Energy: 0.7995829897452814
Energy: 0.5160947773287867
Energy: 0.7995829897452814
Energy: 0.5160418452378083
Energy: 0.7995829897452814
Energy: 0.5160947773297168
Energy: 0.3675577066002852
Energy: 0.08558426642948455
Energy: 0.3675577066002852
Energy: 0.08558426692776758
Energy: 0.36755770660121523
Energy: 0.08558426578527187
Energy: 0.6716213335471733
Energy: 0.6885419957178182
Energy: 0.3615341085011629
Energy: 0.6885419957206083
Energy: 0.6716213335471733
Energy: 0.6885419956973576
Energy: 0.674313410844092
Energy: 0.35790111791170653
Energy: 0.3615747900941725
Energy: 0.35790111791170653
Energy: 0.6743134108431619
Energy: 0.35790111791170653
Energy: 0.471643730149086
Energy: 0.37294751690396355
Energy: 0.47164372074325955
Energy: 0.37294751690396355
Energy: 0.4716437234084629
Energy: 0.37294751690396355

minimum gb energy = 0.08558426578527187 eV
minimum distance =  2.43260613911719 Angstroms
sigma value = 11


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

Energy: 0.6094862333470783
Energy: 0.8080233344142251
Energy: 0.6094862333498033
Energy: 0.8080233344149063
Energy: 0.609486233349122
Energy: 0.8080233344149063
Energy: 0.796534024790509
Energy: 0.7596402549935136
Energy: 0.7965340247802899
Energy: 0.759640254994195
Energy: 0.79653402478574
Energy: 0.7596402549948762
Energy: 0.83775380650008
Energy: 0.9065777490101298
Energy: 0.8377538065014425
Energy: 0.9065774324600943
Energy: 0.8377538065014425
Energy: 0.9065761484978744
Energy: 0.8309222133478351
Energy: 0.511195103076422
Energy: 0.8309222133478351
Energy: 0.5111951030730156
Energy: 0.8309222133478351
Energy: 0.5111951030743782
Energy: 0.7807494330256053
Energy: 0.5542019612371201
Energy: 0.7807494330269679
Energy: 0.5542019612364388
Energy: 0.7807494330262865
Energy: 0.5542019612357576
Energy: 0.7119774181602005
Energy: 0.76864891929116
Energy: 0.7119774181608819
Energy: 0.7686489192312707
Energy: 0.7119774181595193
Energy: 0.7686489191747258
Energy: 0.5215249118278348
Energy: 0.9808711094594678
Energy: 0.5215249118291971
Energy: 0.9808711061309398
Energy: 0.521524911828516
Energy: 0.9808710941072027
Energy: 0.45846527857278524
Energy: 0.22505002231610338
Energy: 0.4588789263650665
Energy: 0.233628948615341
Energy: 0.45867478392357763
Energy: 0.2253979379271751
Energy: 0.8005267042758741
Energy: 0.23022988849150386
Energy: 0.8005267042758741
Energy: 0.22747428329461367
Energy: 0.800526704275193
Energy: 0.22808442663626305
Energy: 0.5223840689380698
Energy: 1.0388418621825686
Energy: 0.5223840689380698
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Energy: 0.7057356024961534
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Energy: 0.7993074786314973
Energy: 0.6660905358621764
Energy: 0.7993074786314973
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Energy: 0.7993074786328598
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Energy: 1.0399484168855315
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Energy: 0.8990614507039403
Energy: 1.2102837320548505
Energy: 0.8990614507032589
Energy: 1.2102837320555317
Energy: 0.8990614507046214

minimum gb energy = -0.354186300990438 eV
minimum distance =  2.31898579319444 Angstroms
sigma value = 41


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

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Energy: 0.6200453317672501
Energy: 0.6891168112486241
Energy: 0.6200453317672501
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Energy: -0.23256661433040524
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Energy: 0.09907442812239359
Energy: -0.24593480325141304
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Energy: -0.21115551093155271
Energy: 0.6068589932674118
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Energy: 0.6068589932674118
Energy: 0.8041922035236744
Energy: 0.6068589932690227
Energy: 0.8041922035226005
Energy: -0.3798635842614942
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Energy: 0.1563419344143065
Energy: 0.9251724199211112
Energy: 0.15523075116137292
Energy: 0.9251724199211112
Energy: 1.0123605557190112
Energy: 0.4811365238759658
Energy: 1.0123605557179371
Energy: 0.4811292847074424
Energy: 1.012360555719548
Energy: 0.4806622962972166
Energy: -0.18612956869868857
Energy: 0.7622336241188927
Energy: -0.1982892373970177
Energy: 0.7622336241140601
Energy: -0.19662787005505553
Energy: 0.7622336241151341
Energy: 0.6063031217336534
Energy: 0.6371894795704098
Energy: 0.6063031217320426
Energy: 0.6371894795709467
Energy: 0.6063031217320426
Energy: 0.6371894795709467
Energy: 0.45849155221318927
Energy: 0.32411282444322126
Energy: 0.45849783120451487
Energy: 0.33175029087513314
Energy: 0.458498176626473
Energy: 0.32395778724392443

minimum gb energy = -0.3798635842614942 eV
minimum distance =  2.30624710284245 Angstroms
sigma value = 33


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

Energy: 0.6958817649967224
Energy: 0.6178864568886898
Energy: 0.6958817649982298
Energy: 0.6178864568882787
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Energy: -0.43400895360151664
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Energy: 1.0690606018753033
Energy: 0.27412069390343813
Energy: 1.0690606018756459
Energy: 0.28535288685453275
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Energy: -0.40341362668185426
Energy: 0.8333669975239885
Energy: 0.2533396154020802
Energy: 0.8333669975228921
Energy: -0.4141709392894149
Energy: 0.833366997522481
Energy: 0.2621495273856647
Energy: 0.7854314372949388
Energy: 0.2614453806871335
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Energy: 0.8930340013264211
Energy: 0.18432204055237222
Energy: 0.8930340013260786
Energy: 0.18256836170544585
Energy: 0.8930340013264211

minimum gb energy = -0.9725127833520053 eV
minimum distance =  2.36898755364681 Angstroms
sigma value = 67


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

Energy: 0.7453208749719814
Energy: 0.6270657832555124
Energy: 0.7453208749719814
Energy: 0.6270657832555124
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Energy: 0.6270657832555124
Energy: 0.6139956204857445
Energy: -0.038067914869344716
Energy: 0.6140988792813546
Energy: -0.036011702230657916
Energy: 0.6140937024867611
Energy: -0.022775314422960692
Energy: 0.9352171708369971
Energy: 0.7499169536440577
Energy: 0.6344533745677046
Energy: 0.7499169536440577
Energy: 0.6344533745677046
Energy: 0.7499169536438003

minimum gb energy = -0.038067914869344716 eV
minimum distance =  2.3724247761971 Angstroms
sigma value = 3


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

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Energy: -1.6581891655343575
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Energy: -1.6447341814881742
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Energy: -1.2370458365622674
Energy: -1.9050818571087058
Energy: -1.8150243340244174
Energy: -1.885399642483433

minimum gb energy = -1.991650332022327 eV
minimum distance =  2.29816034181007 Angstroms
sigma value = 81


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

Energy: 0.8822673030637284
Energy: 0.6226902824011812
Energy: 0.8822673030627877
Energy: 0.6226902647980951
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Energy: -1.0428723853724302
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Energy: -1.0828345381271478

minimum gb energy = -1.4979417712153582 eV
minimum distance =  2.29873187237698 Angstroms
sigma value = 43


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

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Energy: 0.8887230022683311
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Energy: -0.1786272184357045
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Energy: -0.43433879549103105
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Energy: -0.3950983720113637
Energy: -0.4751275699164253
Energy: -0.410767456404434
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Energy: 0.7879486559554405
Energy: 0.7994766522894379
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Energy: 0.1620235680655781
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Energy: 0.13975840901450498
Energy: -0.49684911163907647
Energy: 0.13778987359056863
Energy: -0.8237984984628441

minimum gb energy = -0.8960385868640409 eV
minimum distance =  2.33808635724196 Angstroms
sigma value = 57


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

Energy: 0.5816995930140473
Energy: 0.72627617659118
Energy: 0.5816995930147955
Energy: 0.72627617659118
Energy: 0.5816995930132992
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Energy: 0.7242635072407592
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Energy: 0.7242635072400111
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Energy: 0.7242635072415073
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Energy: 0.46544024967285613
Energy: 0.7498982004602214
Energy: 0.4654402268580535
Energy: 0.7498982004602214
Energy: 0.5843163471602654
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Energy: 0.7244348095691467
Energy: 0.4684744679150789
Energy: 0.7244348095683985
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Energy: 0.7244348095669023
Energy: 0.2268171482736608
Energy: 0.4899955185750851
Energy: 0.22781586460445807
Energy: 0.4899955185750851
Energy: 0.22846810629122707
Energy: 0.4899955185758332
Energy: 0.5698083962538267
Energy: 0.3328039196455139
Energy: 0.5698083962523304
Energy: 0.3324063431430602
Energy: 0.5698083962590634
Energy: 0.3327573801179211
Energy: 0.740701409594028
Energy: 0.7422113636019773
Energy: 0.7407014096015091
Energy: 0.7422113636019773
Energy: 0.7407014095828062
Energy: 0.7422113636019773
Energy: -0.05429747969078094
Energy: 0.5684546918603346
Energy: -0.08118789336745869
Energy: 0.5684546918603346
Energy: -0.0603102116796651
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Energy: -0.18647450394995577
Energy: 0.1582104519102845
Energy: -0.1863711289856584
Energy: 0.1598265225891703
Energy: -0.1861522763135267
Energy: 0.15953668141295568

minimum gb energy = -1.4277671126191123 eV
minimum distance =  2.38326307103305 Angstroms
sigma value = 17


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

Energy: 0.8433415001509866
Energy: 0.7496792569111049
Energy: 0.8433415001499286
Energy: 0.7496792569111049
Energy: 0.8433415001509866
Energy: 0.7496792569111049
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Energy: 0.8155864838632692
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Energy: 0.7660934051147104
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Energy: 0.5400498251240268
Energy: 0.5514077274149292
Energy: 0.5400498251240268
Energy: 0.5518090621934533
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Energy: 0.5525170030971146
Energy: -0.9138842828447253
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Energy: -0.9216470141664685
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Energy: 0.6992923950942042
Energy: 0.6193729814144546
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Energy: 0.6992923950931461
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Energy: 0.613017702875767
Energy: 0.37414518930789303
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Energy: 0.37473725206431696
Energy: 0.6130177028768249
Energy: 0.5361336843749601
Energy: 0.7836842851826813
Energy: 0.536133684376018
Energy: 0.7836842851826813
Energy: 0.536133684377076
Energy: 0.7836842851826813
Energy: 0.7548356459855343
Energy: 0.8511654194985041
Energy: 0.7548356459844763
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Energy: 0.5388317549814536
Energy: 0.7074928289174787
Energy: 0.37533171090805684
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Energy: 0.38139313437581457
Energy: 0.7074928289164688
Energy: 0.37205556091408104
Energy: 0.7846129010495051
Energy: 0.3761385055949045
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Energy: 0.3946144588286026
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Energy: 0.7540606646975503
Energy: 0.729632989765275
Energy: 0.7540606646975503
Energy: 0.7296329897504631
Energy: 0.7540606646975503
Energy: 0.7296329897187234

minimum gb energy = -0.9327597818908095 eV
minimum distance =  2.32070432008516 Angstroms
sigma value = 17


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

Energy: 0.7514247904405786
Energy: 0.6798187561793178
Energy: 0.7514247904413959
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Energy: 0.7514247904409873
Energy: 0.6798187561740064
Energy: 0.7514247904385359
Energy: 0.6798187561740064
Energy: 0.6630686182956065
Energy: 0.6625703843529755
Energy: 0.663068618296015
Energy: 0.6625703843566526
Energy: 0.6630686182947895
Energy: 0.6625703843558355
Energy: 0.46041393796786834
Energy: 0.7263877980820991
Energy: 0.37511705925097966
Energy: 0.7263877980820991
Energy: 0.3739677100843911
Energy: 0.7263877980820991
Energy: 0.6081775783667225
Energy: 0.7375496467182929
Energy: 0.6081775783642711
Energy: 0.7375496467178844
Energy: 0.6081775783646797
Energy: 0.7375496467162502
Energy: 0.652256117308783
Energy: 0.6223278331728129
Energy: 0.652256117305923
Energy: 0.6223278331736299
Energy: 0.6522561173096001
Energy: 0.6223278331719957

minimum gb energy = 0.36285271693881127 eV
minimum distance =  2.33952143347478 Angstroms
sigma value = 57


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

Energy: 0.662725560660374
Energy: 0.6204346668892894
Energy: 0.6627255606610393
Energy: 0.6204346668899546
Energy: 0.6627255606610393
Energy: 0.6204346668892894
Energy: 0.6238074350780018
Energy: 0.6639672723247545
Energy: 0.6238074350780018
Energy: 0.6639672723247545
Energy: 0.6238074350766715
Energy: 0.6639672723247545
Energy: 0.665827597597075
Energy: 0.661183137932704
Energy: 0.6658275975977402
Energy: 0.661183137932704
Energy: 0.6658275975990707
Energy: 0.661183137932704
Energy: 0.5739252342527887
Energy: 0.7065814410826259
Energy: 0.573925234250793
Energy: 0.7065814410819606
Energy: 0.5739252342521236
Energy: 0.7065814410839564
Energy: 0.6248481782398815
Energy: 0.5902927655414925
Energy: 0.6248481782418772
Energy: 0.5902927655421577
Energy: 0.6248481782392162
Energy: 0.5902927655414925
Energy: 0.6499242201660104
Energy: 0.6141828838101204
Energy: 0.6499242201673407
Energy: 0.6141828838114508
Energy: 0.6499242201673407
Energy: 0.6141828838107857
Energy: 0.5848232398061571
Energy: 0.6871989718407041
Energy: 0.5848232398061571
Energy: 0.6871989718393736
Energy: 0.584823239808153
Energy: 0.687198971840039
Energy: 0.5249178622692667
Energy: 0.7230356822513596
Energy: 0.5267205279136199
Energy: 0.7230356822533553
Energy: 0.5249272066896301
Energy: 0.7230356822520249
Energy: 0.6553808284336076
Energy: 0.6156584341471764
Energy: 0.6553808284336076
Energy: 0.6156584341478416
Energy: 0.6553808284336076
Energy: 0.6156584341471764
Energy: 0.6316612883596404
Energy: 0.6621761300294472
Energy: 0.6316612883596404
Energy: 0.6621761300301124
Energy: 0.6316612883589751
Energy: 0.6621761300294472
Energy: 0.5819364128506406
Energy: 0.5532645351057373
Energy: 0.5819364128533016
Energy: 0.5536527410110226
Energy: 0.5819364128539667
Energy: 0.5547963291339375
Energy: 0.6741776645303719
Energy: 0.5891624107206623
Energy: 0.6741776645310371
Energy: 0.5891624107199971
Energy: 0.6741776645310371
Energy: 0.589162410722658
Energy: 0.6257837141315743
Energy: 0.665089319363494
Energy: 0.6257837141322394
Energy: 0.6650893193648246
Energy: 0.6257837141329047
Energy: 0.6650893193648246
Energy: 0.5969241051119655
Energy: 0.6558577964524529
Energy: 0.5969241051126307
Energy: 0.6558577964524529
Energy: 0.5969241051139612
Energy: 0.6558577964524529
Energy: 0.718244050534541
Energy: 0.5486170738863565
Energy: 0.7182440505352062
Energy: 0.5486170738863565
Energy: 0.7182440505352062
Energy: 0.5486170738883523
Energy: 0.6246534396319057
Energy: 0.6096899274713522
Energy: 0.6246534396312405
Energy: 0.609689927462039
Energy: 0.6246534396312405
Energy: 0.6096899274700217
Energy: 0.6571018765648593
Energy: 0.6267670559056298
Energy: 0.6571018765675203
Energy: 0.6267670559082906
Energy: 0.6571018765661897
Energy: 0.6267670559089558
Energy: 0.6135345096794618
Energy: 0.5558437937937641
Energy: 0.6135345096787965
Energy: 0.5558437937950946
Energy: 0.6135345096787965
Energy: 0.5558437937944294
Energy: 0.6046892887171215
Energy: 0.6568038015791747
Energy: 0.6046892887177867
Energy: 0.6568038015785094
Energy: 0.6046892887177867
Energy: 0.6568038015811704
Energy: 0.6092219806147855
Energy: 0.701831081845911
Energy: 0.6092219806141203
Energy: 0.7018310818465764
Energy: 0.6092219806141203
Energy: 0.7018310818465764
Energy: 0.6279834539263167
Energy: 0.6445572454787871
Energy: 0.6279834539389559
Energy: 0.6445572454834436
Energy: 0.6279834539409518
Energy: 0.6445572454761865
Energy: 0.5936169030846716
Energy: 0.6606376142808105
Energy: 0.5936169030853369
Energy: 0.6606376142801452
Energy: 0.5936169030846716
Energy: 0.6606376142808105
Energy: 0.6480185461393257
Energy: 0.6777652271367617
Energy: 0.6480185461393257
Energy: 0.6777652271367617
Energy: 0.6480185461386604
Energy: 0.6777652271360965
Energy: 0.6778809977221159
Energy: 0.6728819115901213
Energy: 0.6778809977227811
Energy: 0.672881911614735
Energy: 0.6778809977221159
Energy: 0.6728819115894562
Energy: 0.6814985686064168
Energy: 0.6419256100065744
Energy: 0.6814985686090776
Energy: 0.6419256100045786
Energy: 0.6814985686097429
Energy: 0.6419256100045786
Energy: 0.6239739649151919
Energy: 0.6765844439529265
Energy: 0.6239739649151919
Energy: 0.6765844439529265
Energy: 0.6239739649145265
Energy: 0.6765844439529265
Energy: 0.5901221514202357
Energy: 0.6560322344491006
Energy: 0.5901221514202357
Energy: 0.6560322344464397
Energy: 0.5901221514202357
Energy: 0.6560322344471048

minimum gb energy = 0.5249178622692667 eV
minimum distance =  2.34778114820393 Angstroms
sigma value = 43


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

Energy: 0.5924810187529844
Energy: 0.5409553848200084
Energy: 0.5924810187500764
Energy: 0.5409553848204931
Energy: 0.5924810187505611
Energy: 0.5409553848200084
Energy: 0.6063190270827358
Energy: 0.6036139389512812
Energy: 0.6063190270841898
Energy: 0.6036139389507965
Energy: 0.6063190270846746
Energy: 0.6036139389507965
Energy: 0.5576017770215166
Energy: 0.6018078368828319
Energy: 0.5576017738041426
Energy: 0.6018078368833166
Energy: 0.5576017670815323
Energy: 0.6018078368833166
Energy: 0.5643208104980945
Energy: 0.5895547096915519
Energy: 0.5643208104976098
Energy: 0.5895547096915519
Energy: 0.5643208104976098
Energy: 0.5895547096910672
Energy: 0.6090774986143581
Energy: 0.5577100236048637
Energy: 0.6090774986143581
Energy: 0.5577100236053484
Energy: 0.6090774986138734
Energy: 0.5577100236053484
Energy: 0.5389682786047543
Energy: 0.5375787534233626
Energy: 0.5389682786042697
Energy: 0.5375787534243318
Energy: 0.5389682786047543
Energy: 0.5375787534228779
Energy: 0.5107236536503587
Energy: 0.5792617917753681
Energy: 0.5107236536455116
Energy: 0.5792617917748834
Energy: 0.5107236536270935
Energy: 0.579261791773914
Energy: 0.665598058850877
Energy: 0.48339598507862575
Energy: 0.6655980588479687
Energy: 0.4833959850757176
Energy: 0.6655980588494228
Energy: 0.48339598507862575
Energy: 0.5228667499727067
Energy: 0.5272505798453485
Energy: 0.5228667499731913
Energy: 0.5272505798453485
Energy: 0.5228667499717372
Energy: 0.5272505798468025
Energy: 0.6140134956648415
Energy: 0.5538883610082854
Energy: 0.6140134956653263
Energy: 0.5538883610087699
Energy: 0.6140134956643568
Energy: 0.5538883610092546
Energy: 0.677068557376635
Energy: 0.5937928975503848
Energy: 0.6770685573761503
Energy: 0.5937928975528082
Energy: 0.6770685573756657
Energy: 0.5937928975455379
Energy: 0.5279134823883929
Energy: 0.528052602120111
Energy: 0.5279134823888776
Energy: 0.5280526021210803
Energy: 0.5279134823888776
Energy: 0.5280526021196262
Energy: 0.5415749942101071
Energy: 0.5267968760616245
Energy: 0.5415749942105919
Energy: 0.5267968760621092
Energy: 0.5415749942115612
Energy: 0.526796876062594
Energy: 0.6676628565535498
Energy: 0.5133524644269444
Energy: 0.6676628565535498
Energy: 0.5133276995678335
Energy: 0.6676628565540346
Energy: 0.46302896267147714
Energy: 0.545074842758283
Energy: 0.5291146721838597
Energy: 0.545074842758283
Energy: 0.5291146721824056
Energy: 0.545074842758283
Energy: 0.5291146721838597
Energy: 0.5637127364663066
Energy: 0.5381628661268292
Energy: 0.5637127364677607
Energy: 0.5381628661268292
Energy: 0.5637127364663066
Energy: 0.5381628661263445
Energy: 0.5107214604776262
Energy: 0.5842311224100685
Energy: 0.5107214604800497
Energy: 0.5842311155528025
Energy: 0.5107214604810191
Energy: 0.5842310986112027
Energy: 0.5600528279677077
Energy: 0.5071600341389871
Energy: 0.5600528279681924
Energy: 0.5071600341394719
Energy: 0.5600528279667384
Energy: 0.5071600341389871
Energy: 0.5385739072493385
Energy: 0.5616294750809082
Energy: 0.5385739072483691
Energy: 0.5616294750804235
Energy: 0.5385739072478843
Energy: 0.561629475079454
Energy: 0.5966212056733459
Energy: 0.5234783579923079
Energy: 0.5966212056733459
Energy: 0.5234783579850376
Energy: 0.5966212056752846
Energy: 0.5234783579864917
Energy: 0.6021450682800916
Energy: 0.5610681244099344
Energy: 0.6021450682786376
Energy: 0.5610681244094496
Energy: 0.6021450682791223
Energy: 0.5610681244089649
Energy: 0.6098799100683645
Energy: 0.6038880641602778
Energy: 0.6098799100683645
Energy: 0.6038880641602778
Energy: 0.6098799100678798
Energy: 0.6038880641597931
Energy: 0.5770337598968358
Energy: 0.6000433144807616
Energy: 0.5770337598963512
Energy: 0.6000433144802769
Energy: 0.5770337598953817
Energy: 0.6000433144802769
Energy: 0.5565307960083178
Energy: 0.5466935279177483
Energy: 0.5565307960073484
Energy: 0.5466935279201717
Energy: 0.5565307960044402
Energy: 0.5466935279206563
Energy: 0.5616992200547235
Energy: 0.5133786316549516
Energy: 0.5616992200547235
Energy: 0.5133786316549516
Energy: 0.5616992200547235
Energy: 0.5133786316554362
Energy: 0.5643547837297104
Energy: 0.5813439554819303
Energy: 0.5643547837297104
Energy: 0.5813439554814456
Energy: 0.5643547837306797
Energy: 0.5813439554814456
Energy: 0.567929996433959
Energy: 0.5232678915233012
Energy: 0.5679299964344436
Energy: 0.52326789152524
Energy: 0.5679299964354131
Energy: 0.5232678915257247
Energy: 0.5288611184874213
Energy: 0.5828192295765069
Energy: 0.5288611184879061
Energy: 0.5828192295760222
Energy: 0.5288611184883908
Energy: 0.5828192295760222
Energy: 0.522529579368695
Energy: 0.5514778103290702
Energy: 0.5225295793691798
Energy: 0.5514778103295549
Energy: 0.5225295793691798
Energy: 0.5514778103290702
Energy: 0.5419911176542018
Energy: 0.48309751099688014
Energy: 0.5419911176542018
Energy: 0.4830974454978179
Energy: 0.5419911176532326
Energy: 0.48309730291727
Energy: 0.4844395230868583
Energy: 0.54963655702637
Energy: 0.48443952308734295
Energy: 0.5496365570297629
Energy: 0.4844395230878277
Energy: 0.5496365570210384
Energy: 0.5228420411422064
Energy: 0.5345480682340733
Energy: 0.5228420411417217
Energy: 0.5345480682340733
Energy: 0.5228420411417217
Energy: 0.5345480682340733
Energy: 0.5252471960906823
Energy: 0.5148927373280099
Energy: 0.5252471960911669
Energy: 0.514892737329464
Energy: 0.5252471960921363
Energy: 0.5148927373270404
Energy: 0.5115485139157638
Energy: 0.46621861030120165
Energy: 0.511550039290462
Energy: 0.4662219694112182
Energy: 0.5115460781794701
Energy: 0.4641544119990968
Energy: 0.5446440291299056
Energy: 0.5181466702915764
Energy: 0.5446440291303902
Energy: 0.5181466702906069
Energy: 0.5446440291303902
Energy: 0.5181466702906069
Energy: 0.4739021345164086
Energy: 0.514319680648309
Energy: 0.4739021345168932
Energy: 0.5143196806478243
Energy: 0.4739021345168932
Energy: 0.5143196806478243

minimum gb energy = 0.46302896267147714 eV
minimum distance =  2.3369658442405 Angstroms
sigma value = 81


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

Energy: -0.02414603603775151
Energy: 0.002392946885074329
Energy: -0.02414603603775151
Energy: 0.002392946885074329
Energy: -0.02414603603775151
Energy: 0.002392946885074329
Energy: 0.724284364981283
Energy: 0.002046441626797501
Energy: 0.724284364981283
Energy: 0.0020464416339209647
Energy: 0.724284364981283
Energy: 0.0020464416339209647
Energy: 0.7242912686449632
Energy: 0.0017869503923823343
Energy: 0.7242912686449632
Energy: 0.0017869503959440658
Energy: 0.7242912686449632
Energy: 0.0017869503923823343
Energy: -0.02414603603775151
Energy: 0.002392946885074329
Energy: -0.02414603603775151
Energy: 0.002392946885074329
Energy: -0.02414603603775151
Energy: 0.002392946885074329
Energy: 0.724284364981283
Energy: 0.002046441630359233
Energy: 0.724284364981283
Energy: 0.0020464416428252943
Energy: 0.724284364981283
Energy: 0.002046441660633952
Energy: 0.7242912686449632
Energy: 0.0017869503728332847
Energy: 0.7242912686449632
Energy: 0.0017869503746141505
Energy: 0.7242912686449632
Energy: 0.0017869503728332847
Energy: -0.02414603603775151
Energy: 0.002392946885074329
Energy: -0.02414603603775151
Energy: 0.002392946885074329
Energy: -0.02414603603775151
Energy: 0.002392946885074329
Energy: 0.724284364981283
Energy: 0.002046441626797501
Energy: 0.724284364981283
Energy: 0.0020464416090293174
Energy: 0.724284364981283
Energy: 0.0020464416001249883
Energy: 0.7242912686449632
Energy: 0.001786950369271553
Energy: 0.7242912686449632
Energy: 0.0017869503603672235
Energy: 0.7242912686449632
Energy: 0.0017869503603672235
Energy: -0.02414603603775151
Energy: 0.002392946885074329
Energy: -0.02414603603775151
Energy: 0.002392946885074329
Energy: -0.02414603603775151
Energy: 0.002392946885074329

minimum gb energy = -0.02414603603775151 eV
minimum distance =  2.52418825757615 Angstroms
sigma value = 3


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

Energy: 0.39473824138049285
Energy: 0.3901051899030138
Energy: 0.3947382413810257
Energy: 0.3901051899030138
Energy: 0.39473824138049285
Energy: 0.3901051899024809
Energy: 0.25594647314284347
Energy: 0.3158543833563202
Energy: 0.25594647312898733
Energy: 0.3158543833563202
Energy: 0.2559464731263227
Energy: 0.3158543833563202
Energy: 0.36673906323820143
Energy: 0.3145884589404176
Energy: 0.3667390632387344
Energy: 0.3145884589404176
Energy: 0.36673906323127337
Energy: 0.3145884589404176
Energy: 0.3822511690400418
Energy: 0.33266387331675024
Energy: 0.3822511690400418
Energy: 0.33266387275794984
Energy: 0.3822511690400418
Energy: 0.33266387115456003
Energy: 0.31997782193037205
Energy: 0.3211079733074377
Energy: 0.319977821930905
Energy: 0.32110797330690477
Energy: 0.31997782193037205
Energy: 0.32110797330690477
Energy: 0.36303984346714785
Energy: 0.32515456238166324
Energy: 0.3630398434602198
Energy: 0.32515456238166324
Energy: 0.36303984346661494
Energy: 0.32515456238219614
Energy: 0.33838199880667175
Energy: 0.4620719445850731
Energy: 0.33838199880667175
Energy: 0.46207194458454015
Energy: 0.33838199880667175
Energy: 0.4620719445840072
Energy: 0.35428575742087937
Energy: 0.3146447776666807
Energy: 0.35428575742087937
Energy: 0.3146447776666807
Energy: 0.35428575742087937
Energy: 0.3146447776666807
Energy: 0.37335342019903717
Energy: 0.3362229422534396
Energy: 0.3733534201985042
Energy: 0.3362229422534396
Energy: 0.3733534201985042
Energy: 0.3362229422534396
Energy: 0.3385971147399071
Energy: 0.3129229901061127
Energy: 0.3385971147399071
Energy: 0.31292212833328187
Energy: 0.3385971147394226
Energy: 0.3129200239811566
Energy: 0.3846405953757111
Energy: 0.3118129212759179
Energy: 0.3846405953714477
Energy: 0.3118129212764509
Energy: 0.3846405953714477
Energy: 0.3118129212764509
Energy: 0.3940244605697232
Energy: 0.3823335163874138
Energy: 0.39402446056812435
Energy: 0.3823332057483312
Energy: 0.39402446056759144
Energy: 0.38233255703221536
Energy: 0.3115328275121273
Energy: 0.2812833644603422
Energy: 0.3115328275131931
Energy: 0.2812833644598093
Energy: 0.3115328275126602
Energy: 0.2812833644598093
Energy: 0.4495153054697591
Energy: 0.2975348464400113
Energy: 0.4495153054697591
Energy: 0.2975348464400113
Energy: 0.44951530547029206
Energy: 0.2975348464400113
Energy: 0.3391198573279
Energy: 0.3651209996312968
Energy: 0.3391198573279
Energy: 0.3651209996312968
Energy: 0.3391198573284329
Energy: 0.36512099963289557
Energy: 0.31132610879926437
Energy: 0.3255510459916823
Energy: 0.31132610879873146
Energy: 0.32555104599274814
Energy: 0.31132610879926437
Energy: 0.32555104599221524
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Energy: 0.4470922515108845
Energy: 0.2932311590778099
Energy: 0.4470922515108845
Energy: 0.29323115905649266
Energy: 0.4470922515114174
Energy: 0.3236698702873739
Energy: 0.3286216856019475
Energy: 0.3236698702868409
Energy: 0.328621684629255
Energy: 0.3236698702868409
Energy: 0.32862168220975696
Energy: 0.3114861080795778
Energy: 0.2600309630715786
Energy: 0.3114861080795778
Energy: 0.2600309630715786
Energy: 0.31148610807904487
Energy: 0.2600309630715786
Energy: 0.34465884935373725
Energy: 0.37397881768451374
Energy: 0.34465884933615054
Energy: 0.37397881768451374
Energy: 0.3446588493164322
Energy: 0.37397881768557956
Energy: 0.31112147561489006
Energy: 0.19172282279255504
Energy: 0.31112147561489006
Energy: 0.1917228227914892
Energy: 0.31112147561489006
Energy: 0.19172282279255504
Energy: 0.312981632227027
Energy: 0.32618123794987985
Energy: 0.3129816322264941
Energy: 0.3261812379493469
Energy: 0.312981632227027
Energy: 0.32618123794987985
Energy: 0.36057763861496384
Energy: 0.31240533031574647
Energy: 0.3605503567090325
Energy: 0.31240533031521356
Energy: -0.804080911108177
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Energy: 0.29792954931133997
Energy: 0.19400130356600206
Energy: 0.29791944710800117
Energy: 0.19400130356600206
Energy: 0.2972421842497962
Energy: 0.19400130356600206
Energy: 0.31176356892340795
Energy: 0.3492592769150696
Energy: 0.31176356892340795
Energy: 0.3492592769086745
Energy: 0.31176356892340795
Energy: 0.3492592768926866
Energy: 0.3711736250092114
Energy: 0.31028871226671334
Energy: 0.3711736250102773
Energy: 0.31028871226671334
Energy: 0.3711736250086785
Energy: 0.31028871226671334
Energy: 0.35820837089055224
Energy: 0.3392390100925948
Energy: 0.3582083097859208
Energy: 0.33923901009206187
Energy: 0.3582081829417253
Energy: 0.3392390100925948
Energy: 0.33857765161103653
Energy: 0.38094985193408903
Energy: 0.33857765161103653
Energy: 0.3809498519335561
Energy: 0.33857765161103653
Energy: 0.38094985193462194
Energy: 0.411816311389568
Energy: 0.31054747976387026
Energy: 0.41181631139010083
Energy: 0.31054747976387026
Energy: 0.411816311389035
Energy: 0.31054747976333735
Energy: 0.3578688155990861
Energy: 0.3416379655351203
Energy: 0.3578688155985532
Energy: 0.34193310244069464
Energy: 0.35786881559322387
Energy: 0.342119234912929
Energy: 0.39646749156549027
Energy: 0.38398535342004175
Energy: 0.39646746460325133
Energy: 0.38398535342217344
Energy: 0.39646739332049796
Energy: 0.38398535342270634
Energy: 0.37518019520106666
Energy: 0.3260389350677391
Energy: 0.3751801952000008
Energy: 0.3260389350677391
Energy: 0.3751801952000008
Energy: 0.3260389350677391
Energy: 0.29889246100448086
Energy: 0.3766504327014616
Energy: 0.29889246100448086
Energy: 0.3766504327014616
Energy: 0.29889246100448086
Energy: 0.37665043270519216

minimum gb energy = -0.804080911108177 eV
minimum distance =  2.36545136717589 Angstroms
sigma value = 67


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

Energy: 0.3792780222496258
Energy: 0.46089523944245003
Energy: 0.3792780222496258
Energy: 0.46089523944245003
Energy: 0.3792780222511445
Energy: 0.46089523944245003
Energy: 0.45996625445250744
Energy: 0.4550248818278648
Energy: 0.45996625445174816
Energy: 0.4550248818278648
Energy: 0.45996625445174816
Energy: 0.4550248818278648
Energy: 0.5133128169606688
Energy: 0.4555000294243385
Energy: 0.5133128169621876
Energy: 0.4555000294235791
Energy: 0.5133128169614283
Energy: 0.4555000294235791
Energy: 0.4034626870230648
Energy: 0.5408480816351852
Energy: 0.4034626870238242
Energy: 0.540848081636704
Energy: 0.4034626870223054
Energy: 0.5408480816374633
Energy: 0.4909067534278933
Energy: 0.4665746450901519
Energy: 0.4909067534278933
Energy: 0.4665746450901519
Energy: 0.4909067534286526
Energy: 0.46657464509091123
Energy: 0.5207799159929205
Energy: 0.4669895100503042
Energy: 0.5207799159936798
Energy: 0.4669895100503042
Energy: 0.5207799159944392
Energy: 0.4669895100503042
Energy: 0.3529859117184069
Energy: 0.5311711232792304
Energy: 0.3529859117184069
Energy: 0.5311711232777118
Energy: 0.3529859117184069
Energy: 0.5311711232792304
Energy: 0.5836698827956582
Energy: 0.4317625376894849
Energy: 0.5836698827964177
Energy: 0.4317625376902442
Energy: 0.5836698827964177
Energy: 0.4317625376902442
Energy: 0.5367446456023561
Energy: 0.5360484347895027
Energy: 0.5367446456038749
Energy: 0.536048434790262
Energy: 0.5367446456038749
Energy: 0.5360484347895027
Energy: 0.4697942134378135
Energy: 0.4961270612620461
Energy: 0.46979421343857286
Energy: 0.49612706126356476
Energy: 0.4697942134378135
Energy: 0.4961270612628054
Energy: 0.5185219824884795
Energy: 0.46641233259253984
Energy: 0.5185219824899983
Energy: 0.46641233259253984
Energy: 0.5185219824899983
Energy: 0.46641233259253984
Energy: 0.4679589043040726
Energy: 0.49403167390771113
Energy: 0.4679589043040726
Energy: 0.49403167390771113
Energy: 0.4679589043033132
Energy: 0.49403167390771113
Energy: 0.46880310409347326
Energy: 0.47305862260052894
Energy: 0.46880310409347326
Energy: 0.47305862260052894
Energy: 0.46880310409423265
Energy: 0.47305862259901027
Energy: 0.5048431554624255
Energy: 0.4149407026716402
Energy: 0.5048431554631848
Energy: 0.41494070267315897
Energy: 0.5048431554639442
Energy: 0.41494070267239963
Energy: 0.41732548083939736
Energy: 0.4601944631161123
Energy: 0.4173254808401567
Energy: 0.4601944631161123
Energy: 0.41732548083939736
Energy: 0.46019446311763096
Energy: 0.41326437299415525
Energy: 0.48318870268387076
Energy: 0.41326437299491464
Energy: 0.48318870268463016
Energy: 0.4132643729956741
Energy: 0.48318870268387076
Energy: 0.5323569856882232
Energy: 0.41427561512206945
Energy: 0.5323569856783514
Energy: 0.41427561512131006
Energy: 0.5323569856745546
Energy: 0.41427561512206945
Energy: 0.3922882824660898
Energy: 0.4682725263199774
Energy: 0.39228828246760855
Energy: 0.4682725263207368
Energy: 0.3922882824653305
Energy: 0.4682725263199774
Energy: 0.3523754052334043
Energy: 0.5102249028665709
Energy: 0.35237540523112626
Energy: 0.5102249028673301
Energy: 0.35237540523264504
Energy: 0.5102249028673301
Energy: 0.7794359537784189
Energy: 0.45140855247252465
Energy: 0.7794359537799378
Energy: 0.45140855247252465
Energy: 0.7794359537791784
Energy: 0.45140855247252465
Energy: 0.46721121443897634
Energy: 0.48284662168205866
Energy: 0.4672111002062325
Energy: 0.48284662168129927
Energy: 0.4672108921001152
Energy: 0.48284662168129927
Energy: 0.44076476785609964
Energy: 0.5321296958138036
Energy: 0.44076476785609964
Energy: 0.532129695803932
Energy: 0.44076476785609964
Energy: 0.53212969580621
Energy: 0.5017140245322815
Energy: 0.45564327570057345
Energy: 0.5017140245330408
Energy: 0.45564327570057345
Energy: 0.5017140245322815
Energy: 0.45564327570057345

minimum gb energy = 0.35237540523112626 eV
minimum distance =  2.37016030820401 Angstroms
sigma value = 33


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

Energy: 0.4956957170104617
Energy: 0.6067630327420024
Energy: 0.49569571700997994
Energy: 0.606763032742484
Energy: 0.49569571701142523
Energy: 0.606763032742484
Energy: 0.5431618428784262
Energy: 0.5060521302465495
Energy: 0.5431618428793896
Energy: 0.5060521302470312
Energy: 0.5431618428779444
Energy: 0.5060521302479946
Energy: 0.544324131198088
Energy: 0.5032295570841835
Energy: 0.5443241311985697
Energy: 0.503229557085147
Energy: 0.5443241311990514
Energy: 0.503229557085147
Energy: 0.4993676366455245
Energy: 0.6456074522055034
Energy: 0.4993676366455245
Energy: 0.6456074522035765
Energy: 0.4993676366469697
Energy: 0.6456074522050217
Energy: 0.61150219793043
Energy: 0.5067903867741157
Energy: 0.61150219793043
Energy: 0.5067903867726705
Energy: 0.6115021979299483
Energy: 0.5067903867736341
Energy: 0.5810774835376922
Energy: 0.682955586767885
Energy: 0.5810769068607272
Energy: 0.5915309904320539
Energy: 0.5810754058705634
Energy: 0.6829555867683668
Energy: 0.4931343976453405
Energy: 0.640604369706919
Energy: 0.4931343976438952
Energy: 0.6406043697064373
Energy: 0.49313439764630385
Energy: 0.6406043697064373
Energy: 0.6415884229740837
Energy: 0.5917354841038441
Energy: 0.6415884229740837
Energy: 0.5917354841043259
Energy: 0.6415884229745653
Energy: 0.5917354841038441
Energy: 0.5799032569547073
Energy: 0.5979214425559441
Energy: 0.5799032569547073
Energy: 0.5979214425549807
Energy: 0.5799032569547073
Energy: 0.5979214425530538
Energy: 0.1380219672104978
Energy: 0.5978155880345956
Energy: 0.13802196720760745
Energy: 0.5978155880326687
Energy: 0.13802196720808918
Energy: 0.597815588033632
Energy: 0.6202779868628286
Energy: 0.5067800198678251
Energy: 0.6202779868637922
Energy: 0.506780019869752
Energy: 0.6202779868637922
Energy: 0.5067800198673433
Energy: 0.5484239915714328
Energy: 0.5843124152525512
Energy: 0.5484239915695059
Energy: 0.5843124152525512
Energy: 0.5484239915695059
Energy: 0.5843124152515877
Energy: 0.15330675092666865
Energy: 0.5437078390049539
Energy: 0.15330675092570517
Energy: 0.5437078390054356
Energy: 0.15330675092859553
Energy: 0.5437078390049539
Energy: 0.5810289820513892
Energy: 0.5059532319705066
Energy: 0.5810289820513892
Energy: 0.5059532319709883
Energy: 0.5810289820518709
Energy: 0.5059532319700248
Energy: 0.5283559376342245
Energy: 0.5697157634796267
Energy: 0.5283559376332612
Energy: 0.5697157634805902
Energy: 0.5283559376332612
Energy: 0.5697157634805902
Energy: 0.49746150051180543
Energy: 0.5779773189879214
Energy: 0.49746150051373234
Energy: 0.5779773189850309
Energy: 0.49746150051325067
Energy: 0.5779773189826224
Energy: 0.6137264472225361
Energy: 0.5041418428714468
Energy: 0.6137264472225361
Energy: 0.5041418428714468
Energy: 0.6137264472230178
Energy: 0.5041418428728919
Energy: 0.5585190487912602
Energy: 0.6000337913940667
Energy: 0.5585190487883699
Energy: 0.6000337617618433
Energy: 0.5585190487859611
Energy: 0.6000336826238867
Energy: 0.5340575069616671
Energy: 0.6019455362310725
Energy: 0.5340575069621488
Energy: 0.6019455361872793
Energy: 0.5340575069616671
Energy: 0.6019455360654464
Energy: 0.6425859192960333
Energy: 0.506254975562257
Energy: 0.6425859192941062
Energy: 0.5062549755627388
Energy: 0.6425859192941062
Energy: 0.5062549755632205
Energy: 0.49315380006637316
Energy: 0.5812065052318924
Energy: 0.49315380006492787
Energy: 0.5812065052309727
Energy: 0.49315380006492787
Energy: 0.5812065052295275
Energy: 0.5282550773454447
Energy: 0.5984016732845389
Energy: 0.5282550773459265
Energy: 0.5984016732850206
Energy: 0.5282550773459265
Energy: 0.5984016732850206
Energy: 0.6511974623110024
Energy: 0.5069580094643034
Energy: 0.6511974613542512
Energy: 0.5069580094638216
Energy: 0.6511974579817328
Energy: 0.5069580094638216
Energy: 0.13768875740006664
Energy: 0.5817056620941075
Energy: 0.13768875740098627
Energy: 0.5817056620936257
Energy: 0.13768875740054834
Energy: 0.581705662093144
Energy: 0.5505910591000542
Energy: 0.5630697672097829
Energy: 0.5505910591000542
Energy: 0.5630697672097829
Energy: 0.5505910590976456
Energy: 0.5630697672083377
Energy: 0.7103730860814342
Energy: 0.5599062466040268
Energy: 0.7103730860809527
Energy: 0.5599062466040268
Energy: 0.7103730860814342
Energy: 0.5599062466040268
Energy: 0.4917996449349559
Energy: 0.5980489292969549
Energy: 0.4917996449335108
Energy: 0.5980489292969549
Energy: 0.4917996449344742
Energy: 0.5980489292969549
Energy: 0.49613140439820813
Energy: 0.6264956212570926
Energy: 0.49613140439772635
Energy: 0.6264913349227618
Energy: 0.49613140439772635
Energy: 0.6264801779213615
Energy: 0.6444830623212878
Energy: 0.5073292854149566
Energy: 0.6444830623212878
Energy: 0.5073292854149566
Energy: 0.6444830623222513
Energy: 0.5073292854154383
Energy: 0.501348790375989
Energy: 0.6307114944307388
Energy: 0.5013487903750256
Energy: 0.6307114944297754
Energy: 0.5013487903750256
Energy: 0.6307114944297754
Energy: 0.5786478268929421
Energy: 0.5984133938563716
Energy: 0.5786474077608934
Energy: 0.598413344589005
Energy: 0.5786462834170598
Energy: 0.5984132019415903
Energy: 0.6046723318276713
Energy: 0.5060616529983748
Energy: 0.6046723318271895
Energy: 0.5060616529988566
Energy: 0.6046723318271895
Energy: 0.5060616529978931
Energy: 0.5305896395035836
Energy: 0.5767744380287572
Energy: 0.5305896395064739
Energy: 0.5767744380311658
Energy: 0.5305896395050288
Energy: 0.5767744380277936
Energy: 0.5293121466552949
Energy: 0.5054858736317573
Energy: 0.5293121466552949
Energy: 0.5054858736322392
Energy: 0.5293121466562585
Energy: 0.5054858736322392
Energy: 0.581064965990129
Energy: 0.5038809994806203
Energy: 0.5810649659910925
Energy: 0.5038809994815837
Energy: 0.581064965990129
Energy: 0.5038809994806203
Energy: 0.15879912508777064
Energy: 0.5404162565930767
Energy: 0.15879912508439856
Energy: 0.5404162565935584
Energy: 0.1587991250872889
Energy: 0.540416256592595
Energy: 0.5514992221167601
Energy: 0.5348867667097159
Energy: 0.5514992221158403
Energy: 0.5348867667087525
Energy: 0.5514992221163221
Energy: 0.5348867667082707

minimum gb energy = 0.13768875740006664 eV
minimum distance =  2.36701098821867 Angstroms
sigma value = 41


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

Energy: 0.7432745463143712
Energy: 0.7595604427372769
Energy: 0.7432745463143712
Energy: 0.7595604427372769
Energy: 0.7432745463143712
Energy: 0.7595604427372769
Energy: 0.7912623950198511
Energy: 0.7585633574216804
Energy: 0.7912623950198511
Energy: 0.7585633574216804
Energy: 0.7912623950198511
Energy: 0.7585633574216804
Energy: 0.831493707906538
Energy: 0.7561274883772791
Energy: 0.831493707906538
Energy: 0.7561274883772791
Energy: 0.8314937079078534
Energy: 0.7561274883772791
Energy: 0.7382676547858079
Energy: 0.8463123248525377
Energy: 0.7382676547858079
Energy: 0.8463123248525377
Energy: 0.7382676547858079
Energy: 0.8463123248525377
Energy: 0.8298018008601488
Energy: 0.7635588966008668
Energy: 0.829801800861464
Energy: 0.7635588965995515
Energy: 0.829801800861464
Energy: 0.7635588965995515
Energy: 0.8511429308092077
Energy: 0.8395802426254294
Energy: 0.8511429308092077
Energy: 0.8395802426254294
Energy: 0.8511429308092077
Energy: 0.8395802426254294
Energy: 0.7367533251044859
Energy: 0.8001546344982677
Energy: 0.7367533251044859
Energy: 0.8001546344982677
Energy: 0.7367533251044859
Energy: 0.8001546344982677
Energy: 0.7611364478322794
Energy: 0.7585811642615277
Energy: 0.7611364478335946
Energy: 0.7585811642615277
Energy: 0.7611364478322794
Energy: 0.7585811642615277
Energy: 0.7914176831390087
Energy: 0.7832692217880669
Energy: 0.7914176831390087
Energy: 0.7832692217880669
Energy: 0.7914176831390087
Energy: 0.7832692217880669
Energy: 0.7376989723584966
Energy: 0.7962933312128101
Energy: 0.7376989723584966
Energy: 0.7962933312128101
Energy: 0.7376989723584966
Energy: 0.7962933312128101
Energy: 0.7848874487649983
Energy: 0.7567807852189832
Energy: 0.7848874487649983
Energy: 0.7567807852189832
Energy: 0.7848874487649983
Energy: 0.7567807852176679
Energy: 0.7870408655011141
Energy: 0.7575120970604335
Energy: 0.7870408655011141
Energy: 0.757512097061749
Energy: 0.7870408655011141
Energy: 0.757512097061749
Energy: 0.763252579932106
Energy: 0.8464383367976326
Energy: 0.763252579932106
Energy: 0.846438336798948
Energy: 0.763252579932106
Energy: 0.8464383367976326
Energy: 0.8287807897186699
Energy: 0.7585545507018413
Energy: 0.8287807897186699
Energy: 0.7585545507018413
Energy: 0.8287807897186699
Energy: 0.7585545507018413

minimum gb energy = 0.7367533251044859 eV
minimum distance =  2.35007551344404 Angstroms
sigma value = 11


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

Energy: 0.8921054277907902
Energy: 0.9507993491732201
Energy: 0.8921054277919457
Energy: 0.9507993491732201
Energy: 0.8921054277902123
Energy: 0.9507993491726424
Energy: 0.9301702513671242
Energy: 0.8990725962773707
Energy: 0.930170251364813
Energy: 0.899072596276215
Energy: 0.9301702513659686
Energy: 0.8990725962785262
Energy: 1.0315138107650965
Energy: 0.919342170764604
Energy: 1.0315138107650965
Energy: 0.9193421707634485
Energy: 1.0315138107650965
Energy: 0.9193421707640261
Energy: 0.9149488425998564
Energy: 0.9855601089808305
Energy: 0.9149488425998564
Energy: 0.9855601089796749
Energy: 0.9149488425998564
Energy: 0.9855601089819861
Energy: 0.9961448677748771
Energy: 0.9393163965242526
Energy: 0.9961448630858817
Energy: 0.9393163965242526
Energy: 0.9961448478909984
Energy: 0.9393163965242526
Energy: 0.913203058398669
Energy: 0.9423335270105784
Energy: 0.9132030583980912
Energy: 0.942333527008845
Energy: 0.9132030583980912
Energy: 0.942333527008845
Energy: 0.9321635177089009
Energy: 1.031305075622693
Energy: 0.9321635177089009
Energy: 1.031305075624426
Energy: 0.9321635177089009
Energy: 1.0313050756238484
Energy: 0.9774749041450036
Energy: 0.89943440458213
Energy: 0.977474904146737
Energy: 0.89943440458213
Energy: 0.977474904146159
Energy: 0.89943440458213
Energy: 0.9661238802756543
Energy: 0.9000782209352879
Energy: 0.9661238802750765
Energy: 0.9000782209352879
Energy: 0.9661238802744988
Energy: 0.9000782209358655
Energy: 0.930271669105771
Energy: 0.9868802246568391
Energy: 0.9302716691063488
Energy: 0.9868802245921531
Energy: 0.9302716691051931
Energy: 0.9868802243877207
Energy: 0.9487653785913333
Energy: 0.9431596020097195
Energy: 0.9487653785919111
Energy: 0.9431596020097195
Energy: 0.9487653785919111
Energy: 0.9431596020091417
Energy: 0.9686611376116416
Energy: 0.9367984766585791
Energy: 0.968661137610486
Energy: 0.9367984766580013
Energy: 0.968661137609908
Energy: 0.9367984766591569
Energy: 0.914136691814579
Energy: 0.9536450878508159
Energy: 0.914136691814579
Energy: 0.9536450878502383
Energy: 0.914136691814579
Energy: 0.9536450878490826
Energy: 1.0347362796960813
Energy: 0.8928399875860709
Energy: 1.0347362796955037
Energy: 0.892839987585493
Energy: 1.0347362796960813
Energy: 0.8928399875843375
Energy: 0.9738386488357875
Energy: 0.9202257026822189
Energy: 0.9738386488363654
Energy: 0.9202257026822189
Energy: 0.9738386488357875
Energy: 0.9202257026822189
Energy: 0.9301339091774883
Energy: 0.9728918218860751
Energy: 0.9301339091774883
Energy: 0.9728918218854975
Energy: 0.9301339091774883
Energy: 0.9728918218831863
Energy: 0.9480671104140348
Energy: 0.9208536855483547
Energy: 0.9480671104134571
Energy: 0.9208536855477768
Energy: 0.9480671104146127
Energy: 0.9208536855483547
Energy: 0.9674299138516564
Energy: 0.9717442161220166
Energy: 0.9674299138505009
Energy: 0.9717442161225944
Energy: 0.9674299138505009
Energy: 0.9717442161220166
Energy: 0.9261397706702261
Energy: 0.9591955922566887
Energy: 0.9261397706702261
Energy: 0.9591955922572664
Energy: 0.9261397706708038
Energy: 0.9591955922566887
Energy: 1.0348964075013505
Energy: 0.9356733442544575
Energy: 1.0348964075013505
Energy: 0.9356733442550351
Energy: 1.0348964075019285
Energy: 0.9356733442585019
Energy: 0.9104746326750579
Energy: 0.9756731192812229
Energy: 0.9104746326715912
Energy: 0.975673119278334
Energy: 0.9104746326715912
Energy: 0.9756731192789116
Energy: 0.8988172066428344
Energy: 1.0230842071072055
Energy: 0.8988172066416787
Energy: 1.0230842071077835
Energy: 0.8988172066411273
Energy: 1.0230842071072055
Energy: 1.000671505625349
Energy: 0.9208451342667989
Energy: 1.000671505625349
Energy: 0.9208451342667989
Energy: 1.000671505625349
Energy: 0.9208451342673767
Energy: 0.9925855035223321
Energy: 0.9018215820760647
Energy: 0.9925855035217545
Energy: 0.9018215820772203
Energy: 0.99258550352291
Energy: 0.901821582077798
Energy: 0.9285730536827842
Energy: 0.9829284640957855
Energy: 0.9285730536827842
Energy: 0.9829284640963634
Energy: 0.9285730536827842
Energy: 0.9829284640911633
Energy: 0.9979935387124187
Energy: 0.9341626403403932
Energy: 0.9979935387118408
Energy: 0.9341626403398153
Energy: 0.9979935387118408
Energy: 0.9341626403398153
Energy: 0.9249133965107712
Energy: 1.0427549627591441
Energy: 0.9249133965107712
Energy: 1.0427549627585664
Energy: 0.9249133965078823
Energy: 1.0427549627585664
Energy: 0.8855063697607266
Energy: 0.9625581553614263
Energy: 0.8855063697607266
Energy: 0.9625581553614263
Energy: 0.8855063697607266
Energy: 0.9625581553614263
Energy: 0.9881218856613964
Energy: 0.9118470863724829
Energy: 0.9881218856602407
Energy: 0.9118470863724829
Energy: 0.9881218856613964
Energy: 0.9118470863730607
Energy: 0.9412056591725523
Energy: 0.9373526795604001
Energy: 0.9412056591731303
Energy: 0.9373526795592446
Energy: 0.9412056591725523
Energy: 0.9373526795598225
Energy: 0.928139973828446
Energy: 1.027696135677776
Energy: 0.9281399738272903
Energy: 1.0276961356771983
Energy: 0.9281399738272903
Energy: 1.027696135677776

minimum gb energy = 0.8855063697607266 eV
minimum distance =  2.26554406929943 Angstroms
sigma value = 57


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

Energy: 1.148433118174789
Energy: 1.160986061347638
Energy: 1.148433118174789
Energy: 1.1609860613466096
Energy: 1.148433118174789
Energy: 1.1609860613466096
Energy: 0.9968902540334997
Energy: 1.036011617857624
Energy: 0.9968902540345279
Energy: 1.036011617857624
Energy: 0.9968902540345279
Energy: 1.0360116178565957
Energy: 1.1636186463103295
Energy: 1.0484690527954077
Energy: 1.1636186463103295
Energy: 1.0484690527964358
Energy: 1.1636186463113576
Energy: 1.0484690527964358
Energy: 0.9949270186389304
Energy: 1.0758144728531263
Energy: 0.9949270186389304
Energy: 1.0758144728531263
Energy: 0.9949270186389304
Energy: 1.0796059997372993
Energy: 1.163379194266267
Energy: 1.0484614465169007
Energy: 1.1633791942652387
Energy: 1.0484614465169007
Energy: 1.1633791942652387
Energy: 1.0484614465179287
Energy: 0.9969826454419846
Energy: 1.0998432571843093
Energy: 0.9969826454419846
Energy: 1.0998432571853372
Energy: 0.9969826454399283
Energy: 1.0998432571853372
Energy: 1.148433118174789
Energy: 1.1609860613486658
Energy: 1.148433118174789
Energy: 1.1609860613466096
Energy: 1.148433118174789
Energy: 1.160986061347638
Energy: 0.9968902540334997
Energy: 1.0360116178565957
Energy: 0.996890254035556
Energy: 1.0360116178565957
Energy: 0.996890254035556
Energy: 1.0360116178565957
Energy: 1.1636186463103295
Energy: 1.0484690527964358
Energy: 1.1636186463093012
Energy: 1.0484690527964358
Energy: 1.1636186463103295
Energy: 1.0484690527964358
Energy: 0.9949270186389304
Energy: 1.1149610853740157
Energy: 0.9949270186389304
Energy: 1.1149610853750442
Energy: 0.9949270186399586
Energy: 1.1432337997934183
Energy: 1.163379194266267
Energy: 1.0484614465169007
Energy: 1.1633791942652387
Energy: 1.0484614465169007
Energy: 1.1633791942652387
Energy: 1.0484614465179287
Energy: 0.9969826454419846
Energy: 1.0998432571843093
Energy: 0.9969826454409565
Energy: 1.0998432571853372
Energy: 0.9969826454399283
Energy: 1.0998432571853372
Energy: 1.148433118174789
Energy: 1.160986061347638
Energy: 1.148433118174789
Energy: 1.1609860613466096
Energy: 1.148433118174789
Energy: 1.160986061347638
Energy: 0.9968902540334997
Energy: 1.0360116178565957
Energy: 0.9968902540345279
Energy: 1.0360116178565957
Energy: 0.996890254035556
Energy: 1.0360116178565957
Energy: 1.1636186463103295
Energy: 1.0484690527964358
Energy: 1.1636186463103295
Energy: 1.0484690527964358
Energy: 1.1636186463103295
Energy: 1.0484690527964358
Energy: 0.9949270186389304
Energy: 1.1149610853750442
Energy: 0.9949270186389304
Energy: 1.1149610853750442
Energy: 0.9949270186389304
Energy: 1.1236203946244463
Energy: 1.163379194266267
Energy: 1.0484614465179287
Energy: 1.163379194266267
Energy: 1.0484614465179287
Energy: 1.1633791942652387
Energy: 1.0484614465179287

minimum gb energy = 0.9949270186389304 eV
minimum distance =  2.31418831076306 Angstroms
sigma value = 9


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

Energy: 1.0983964665813382
Energy: 1.02580160564019
Energy: 1.0983964665796593
Energy: 1.0258016056393504
Energy: 1.0983964665804988
Energy: 1.0258016056393504
Energy: 1.0349078390433268
Energy: 1.1075481667565097
Energy: 1.0349078390433268
Energy: 1.1075481667565097
Energy: 1.0349078390433268
Energy: 1.1075481667556701
Energy: 1.09491207912066
Energy: 1.017338368325695
Energy: 1.0949120791198204
Energy: 1.0173383683265345
Energy: 1.0949120791198204
Energy: 1.017338368325695
Energy: 1.0177686346854133
Energy: 1.1073490174311353
Energy: 1.0177686346854133
Energy: 1.1073490174328144
Energy: 1.0177686346862527
Energy: 1.107349017431975
Energy: 1.0723442683036049
Energy: 1.00853414327075
Energy: 1.0723442683044444
Energy: 1.0085341430794184
Energy: 1.0723442683044444
Energy: 1.0085341425440408
Energy: 1.0956672985703926
Energy: 1.023354951268279
Energy: 1.0956672985703926
Energy: 1.023354951268279
Energy: 1.0956672985703926
Energy: 1.0233549512674394
Energy: 1.0151017502568813
Energy: 1.130194942143662
Energy: 1.0151017502568813
Energy: 1.130194942143662
Energy: 1.0151017502568813
Energy: 1.130194942143662
Energy: 1.01086376209942
Energy: 1.0976784639651824
Energy: 1.01086376209942
Energy: 1.0976784639651824
Energy: 1.01086376209942
Energy: 1.0976784639643429
Energy: 1.125855950169426
Energy: 1.070676273724052
Energy: 1.1258559501685867
Energy: 1.0706762737232125
Energy: 1.1258559501685867
Energy: 1.070676273722373
Energy: 1.017365099417661
Energy: 1.0664403380424834
Energy: 1.017365099417661
Energy: 1.0664403380424834
Energy: 1.0173650994185006
Energy: 1.0664403380424834
Energy: 1.105174556189339
Energy: 1.050556578449758
Energy: 1.097459822758038
Energy: 1.050556578448079
Energy: 1.097459822758038
Energy: 1.0505565784489186
Energy: 1.1472474111030964
Energy: 1.0237937357241103
Energy: 1.1472474111039357
Energy: 1.02379373572495
Energy: 1.1472474111148494
Energy: 1.02379373572495
Energy: 1.019454769712887
Energy: 1.0945553763499685
Energy: 1.019454769712887
Energy: 1.0945553763499685
Energy: 1.019454769712887
Energy: 1.0945553763499685
Energy: 1.0940982735604583
Energy: 1.099266413982791
Energy: 1.0940982735604583
Energy: 1.099266413982791
Energy: 1.0940982735604583
Energy: 1.099266413982791
Energy: 1.178594876780705
Energy: 1.0225278008778176
Energy: 1.1785948767790262
Energy: 1.0225278008786571
Energy: 1.1785948767790262
Energy: 1.0225278008778176
Energy: 1.0131768437472837
Energy: 1.1352819219113661
Energy: 1.0131768437388886
Energy: 1.1352819219113661
Energy: 1.01317684373637
Energy: 1.1352819219122057
Energy: 1.075644664484538
Energy: 1.101832614146514
Energy: 1.0756446644853777
Energy: 1.101832614148193
Energy: 1.0756446644853777
Energy: 1.101832614148193
Energy: 1.056263994359733
Energy: 1.0233711065377642
Energy: 1.0563549505920076
Energy: 1.0233711065369249
Energy: 1.0562877477408465
Energy: 1.0233711065377642
Energy: 1.0163861255335898
Energy: 1.096063706831462
Energy: 1.016386125534429
Energy: 1.0960637068306227
Energy: 1.016386125534429
Energy: 1.096063706831462
Energy: 1.0586329957596632
Energy: 1.0216915300730358
Energy: 1.0586329957596632
Energy: 1.0216915300730358
Energy: 1.0586329957596632
Energy: 1.0216915300738754
Energy: 1.1381374412500307
Energy: 1.1408298213887669
Energy: 1.1381374412500307
Energy: 1.1408298213887669
Energy: 1.1381374412500307
Energy: 1.1408298213887669

minimum gb energy = 1.0085341425440408 eV
minimum distance =  2.29531791106658 Angstroms
sigma value = 27


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

Energy: 1.1062844283624427
Energy: 1.025013534891411
Energy: 1.1062844283631503
Energy: 1.025013534891411
Energy: 1.1062844283631503
Energy: 1.0250135348942413
Energy: 1.1901421954593379
Energy: 1.0653654720090535
Energy: 1.19014219545863
Energy: 1.0653654720090535
Energy: 1.19014219545863
Energy: 1.0653654720090535
Energy: 1.075191615870432
Energy: 1.077686637928147
Energy: 1.0751916158711396
Energy: 1.0776866379288546
Energy: 1.0751916158718473
Energy: 1.0776866379274395
Energy: 1.1545023841772584
Energy: 1.083738609142996
Energy: 1.1545023841772584
Energy: 1.0837386091437036
Energy: 1.1545023841765507
Energy: 1.0837386091437036
Energy: 1.1303812640082926
Energy: 1.1447879533152063
Energy: 1.130381264006877
Energy: 1.1447879533152063
Energy: 1.1303812640082926
Energy: 1.1447879533152063
Energy: 1.0785535047904524
Energy: 1.1009529993451608
Energy: 1.0785535019816512
Energy: 1.100952999347284
Energy: 1.0785534945150712
Energy: 1.1009529993430378
Energy: 1.0742004120321373
Energy: 1.144914557925455
Energy: 1.0742004120321373
Energy: 1.1449145579261626
Energy: 1.074200412032845
Energy: 1.1449145579268702
Energy: 1.0985552236024332
Energy: 1.1230271014663127
Energy: 1.0985552236024332
Energy: 1.1230271014656052
Energy: 1.0985552236031408
Energy: 1.1230271014663127
Energy: 1.1395324868893753
Energy: 1.0676583470406886
Energy: 1.1395324868900831
Energy: 1.0676583470406886
Energy: 1.1395324868900831
Energy: 1.0676583470413963
Energy: 1.0788382579749947
Energy: 1.0553424766752924
Energy: 1.0788382579728717
Energy: 1.055342476674585
Energy: 1.0788382579735791
Energy: 1.0553424766738773
Energy: 1.153331707983255
Energy: 1.0306292213452863
Energy: 1.153331707979009
Energy: 1.0306292213452863
Energy: 1.153331707985378
Energy: 1.0306292213467017
Energy: 1.065095067726857
Energy: 1.0672238099493438
Energy: 1.065095067726857
Energy: 1.0672238099493438
Energy: 1.065095067726857
Energy: 1.0672238099500515
Energy: 1.1212627755641895
Energy: 1.0678514272876096
Energy: 1.1212627755663125
Energy: 1.0678514272876096
Energy: 1.1212627755648972
Energy: 1.0678514272876096
Energy: 1.073520974248786
Energy: 1.1403087687490119
Energy: 1.0735209742494938
Energy: 1.1403087687497195
Energy: 1.0735209742494938
Energy: 1.1403087687490119
Energy: 1.0977721608780233
Energy: 1.1014491949951177
Energy: 1.0977721608780233
Energy: 1.101449194998656
Energy: 1.0977721608780233
Energy: 1.101449194988749
Energy: 1.0808914687226683
Energy: 1.1444186479003027
Energy: 1.0808914687226683
Energy: 1.1444186478995948
Energy: 1.0808914687226683
Energy: 1.1444186478995948
Energy: 1.1375791665600437
Energy: 1.082601577291766
Energy: 1.1375791665607513
Energy: 1.082601577291766
Energy: 1.1375791665600437
Energy: 1.082601577291766
Energy: 1.0532697554795318
Energy: 1.0776561349013392
Energy: 1.0532697554795318
Energy: 1.0776561349013392
Energy: 1.0532697554795318
Energy: 1.0776561349013392
Energy: 1.055168152428478
Energy: 1.0665671757315893
Energy: 1.0551681523754368
Energy: 1.066567175732297
Energy: 1.0551681521462564
Energy: 1.0665671757315893
Energy: 1.106284428361735
Energy: 1.0250135349090697
Energy: 1.1062844283624427
Energy: 1.0250135349104852
Energy: 1.1062844283624427
Energy: 1.0250135349076543
Energy: 1.1901421954593379
Energy: 1.0653654720083456
Energy: 1.19014219545863
Energy: 1.0653654720083456
Energy: 1.1901421954593379
Energy: 1.0653654720097612
Energy: 1.075191615870432
Energy: 1.077686637928147
Energy: 1.0751916158711396
Energy: 1.0776866379288546
Energy: 1.0751916158711396
Energy: 1.077686637928147
Energy: 1.1545023841765507
Energy: 1.083738609142996
Energy: 1.1545023841772584
Energy: 1.0837386091437036
Energy: 1.1545023841772584
Energy: 1.083738609142996
Energy: 1.1303812640061695
Energy: 1.1447879533159138
Energy: 1.1303812640061695
Energy: 1.1447879533166214
Energy: 1.1303812640061695
Energy: 1.1447879533159138
Energy: 1.0785535047982366
Energy: 1.1009529993451608
Energy: 1.0785535020580448
Energy: 1.1009529993451608
Energy: 1.0785534940687727
Energy: 1.1009529993451608

minimum gb energy = 1.025013534891411 eV
minimum distance =  2.29908597820161 Angstroms
sigma value = 19


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

Energy: 1.1526321799797328
Energy: 1.1028983894792508
Energy: 1.152632179978511
Energy: 1.1028983894798614
Energy: 1.152632179979122
Energy: 1.1028983894792508
Energy: 1.039840268884094
Energy: 1.041773368919864
Energy: 1.0398402688847048
Energy: 1.0417733689210857
Energy: 1.0398402688847048
Energy: 1.0417733689216964
Energy: 1.0919580647735423
Energy: 1.0252842531869604
Energy: 1.0919580647741531
Energy: 1.025284253184517
Energy: 1.091958064774764
Energy: 1.0252842531869604
Energy: 1.0635163863735786
Energy: 1.0176386975658258
Energy: 1.0635163863741894
Energy: 1.0176386975652152
Energy: 1.0635163863735786
Energy: 1.0176386975652152
Energy: 1.0392293272210877
Energy: 1.0339650889433785
Energy: 1.039229327220477
Energy: 1.0339650889439893
Energy: 1.0392293272192552
Energy: 1.0339650889433785
Energy: 1.0143634620196016
Energy: 1.0410130719412745
Energy: 1.0143634620202124
Energy: 1.041013071942496
Energy: 1.0143634620202124
Energy: 1.0410130719406636
Energy: 1.0272790391622477
Energy: 1.0518993703774726
Energy: 1.0272790391610265
Energy: 1.0518993703750292
Energy: 1.0272790391598046
Energy: 1.0518993703774726
Energy: 1.0401323878077913
Energy: 1.0591457582075334
Energy: 1.0401323878077913
Energy: 1.0591457582075334
Energy: 1.0401323878071802
Energy: 1.059145758206312
Energy: 1.0554674915829934
Energy: 1.0856177831367506
Energy: 1.0554674915799394
Energy: 1.0856177831367506
Energy: 1.0554674915652793
Energy: 1.08561778313614
Energy: 1.0354363506689657
Energy: 1.037389613083125
Energy: 1.0354363506689657
Energy: 1.037389613083125
Energy: 1.0354363506683548
Energy: 1.037389613083125
Energy: 1.0324081786420294
Energy: 1.0827602220086772
Energy: 1.03240817864264
Energy: 1.0827602220086772
Energy: 1.0324081786414185
Energy: 1.0827602220080665
Energy: 1.0418718340872455
Energy: 1.0264026328605718
Energy: 1.0418718340872455
Energy: 1.0264026328611826
Energy: 1.0418718340860238
Energy: 1.0264026328617935
Energy: 1.0085885509574004
Energy: 1.0327173753924883
Energy: 1.0085885509567898
Energy: 1.0327173753924883
Energy: 1.0085885509567898
Energy: 1.0327173753930992
Energy: 1.0458578867598245
Energy: 0.998005835735046
Energy: 1.0458578867604353
Energy: 0.998005835735046
Energy: 1.0458578867598245
Energy: 0.998005835735046
Energy: 1.0334084624835782
Energy: 1.02566130706374
Energy: 1.033408462484189
Energy: 1.02566130706374
Energy: 1.033408462484189
Energy: 1.0256613070631289
Energy: 1.1002300614294722
Energy: 1.030353360710872
Energy: 1.1002300614300828
Energy: 1.0303533607102613
Energy: 1.1002300614300828
Energy: 1.030353360710872
Energy: 1.0474609706704914
Energy: 1.0600611653938556
Energy: 1.0474609706711022
Energy: 1.0600611653956882
Energy: 1.0474609706717128
Energy: 1.0600611653944665
Energy: 1.0635515897995347
Energy: 1.0425862587761912
Energy: 1.0635515898007564
Energy: 1.0425862587743866
Energy: 1.0635515898007564
Energy: 1.0425862587749972
Energy: 1.026494419426892
Energy: 1.0334907985828832
Energy: 1.0264944194281138
Energy: 1.033490798583494
Energy: 1.0264944194281138
Energy: 1.0334907985828832
Energy: 1.0169596488317891
Energy: 0.9785658093154033
Energy: 1.0169596488317891
Energy: 0.9785658093147923
Energy: 1.0169596488311783
Energy: 0.978565809316014
Energy: 1.0387931935127526
Energy: 1.0579161476755465
Energy: 1.0387931935127526
Energy: 1.057916147674936
Energy: 1.0387931935127526
Energy: 1.057916147674936
Energy: 1.0893278164451954
Energy: 1.0449670423189732
Energy: 1.089327813875953
Energy: 1.0449670423189732
Energy: 1.0893278055399573
Energy: 1.0449670423183623
Energy: 1.0401454100773797
Energy: 1.0397694335322731
Energy: 1.0401454100749363
Energy: 1.0397694335322731
Energy: 1.0401454100755474
Energy: 1.0397694335322731
Energy: 1.0408784832275235
Energy: 1.0420883127745593
Energy: 1.0408784832281346
Energy: 1.0420883127745593
Energy: 1.0408784832269127
Energy: 1.0420883127745593
Energy: 0.974765966224476
Energy: 1.057271928342938
Energy: 0.9747659662238651
Energy: 1.057271928342938
Energy: 0.9747659662232542
Energy: 1.057271928342938
Energy: 1.0265041373489474
Energy: 1.0672931420586913
Energy: 1.0265041373489474
Energy: 1.0672931420593021
Energy: 1.0265041373495583
Energy: 1.0672931420593021
Energy: 1.0276235809099872
Energy: 1.0206120521453514
Energy: 1.0276235809093763
Energy: 1.0206120521447406
Energy: 1.0276235809087653
Energy: 1.020612052145962
Energy: 1.0040571306431876
Energy: 1.032428775196511
Energy: 1.0040571306437986
Energy: 1.0324287751971217
Energy: 1.0040571306450201
Energy: 1.0324287751971217
Energy: 1.0398336547512352
Energy: 1.0332289380835635
Energy: 1.0398336547512352
Energy: 1.0332289380829527
Energy: 1.0398336547524565
Energy: 1.0332289380835635

minimum gb energy = 0.9747659662232542 eV
minimum distance =  2.27440754265891 Angstroms
sigma value = 101


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

Energy: 1.0994601887672508
Energy: 0.9728877514107962
Energy: 1.0994601887677877
Energy: 0.9728877514107962
Energy: 1.0994601887677877
Energy: 0.9728877514113332
Energy: 1.0120645523357175
Energy: 1.0256617282768328
Energy: 1.0120645523373284
Energy: 1.025661728275222
Energy: 1.0120645523367915
Energy: 1.02566172827737
Energy: 0.9938763578923588
Energy: 1.0225948750147418
Energy: 0.9938763578939697
Energy: 1.0225948750125937
Energy: 0.9938763578923588
Energy: 1.022594875013131
Energy: 1.0137448746510376
Energy: 1.0241118024013154
Energy: 1.0137448746499638
Energy: 1.0241118024018523
Energy: 1.0137448746505007
Energy: 1.0241118024013154
Energy: 1.013311256463594
Energy: 0.9968474765149821
Energy: 1.013311256463594
Energy: 0.9968474765149821
Energy: 1.013311256463594
Energy: 0.9968474765144452
Energy: 0.9589309059921934
Energy: 1.0367433896528628
Energy: 0.9589309059921934
Energy: 1.0367433896523255
Energy: 0.9589309059921934
Energy: 1.0367433896523255
Energy: 1.0250316520667986
Energy: 1.0150734812465634
Energy: 1.0250316520667986
Energy: 1.0150734812471
Energy: 1.0250316520667986
Energy: 1.0150734812465634
Energy: 1.0192053196976372
Energy: 1.0387335277190688
Energy: 1.019205319696026
Energy: 1.0387335277190688
Energy: 1.0192053196965631
Energy: 1.0387335277201426
Energy: 0.9604618693866516
Energy: 1.0167227558153589
Energy: 0.9604618693866516
Energy: 1.0167227558158958
Energy: 0.9604618693861148
Energy: 1.0167227558158958
Energy: 1.0133619203301325
Energy: 1.0060541406133094
Energy: 1.0133619203279847
Energy: 1.0060541406127723
Energy: 1.0133619203301325
Energy: 1.0060541406133094
Energy: 1.0270822947816032
Energy: 1.1837547071910113
Energy: 1.0270822947810663
Energy: 1.1837547071910113
Energy: 1.0270822947816032
Energy: 1.1837547071985286
Energy: 1.0110112067322674
Energy: 1.0257421675910896
Energy: 1.011011206732804
Energy: 1.0257421675943112
Energy: 1.0110112067317303
Energy: 1.0257421675910896
Energy: 0.9509601605173572
Energy: 1.0195073564183783
Energy: 0.9509601605173572
Energy: 1.0195073564178414
Energy: 0.9509601605178941
Energy: 1.0195073564178414
Energy: 1.0049204392247635
Energy: 1.043673079854715
Energy: 1.0049204392263744
Energy: 1.0436730798568625
Energy: 1.0049204392253004
Energy: 1.043673079855789
Energy: 1.00558939085061
Energy: 1.0039235190338063
Energy: 1.0055893908511468
Energy: 1.0039235190338063
Energy: 1.0055893908511468
Energy: 1.0039235190338063
Energy: 1.0107765342138293
Energy: 1.0302153162203842
Energy: 1.0107765342127555
Energy: 1.0302153162203842
Energy: 1.0107765342149033
Energy: 1.0302153162203842
Energy: 1.022129112464459
Energy: 1.0900177022731956
Energy: 1.022129112463922
Energy: 1.0900177022737327
Energy: 1.022129112463922
Energy: 1.0900177022731956
Energy: 1.0173871606173603
Energy: 0.9476914379724812
Energy: 1.0173871606189713
Energy: 0.9476914379730182
Energy: 1.0173871606173603
Energy: 0.9476914379735552
Energy: 0.961265710830752
Energy: 1.0168253510645686
Energy: 0.9612657108312889
Energy: 1.0168253510651053
Energy: 0.961265710830752
Energy: 1.0168253510651053
Energy: 1.0223260924408584
Energy: 0.9726867394585921
Energy: 1.0223260924403215
Energy: 0.9726867394585921
Energy: 1.0223260924408584
Energy: 0.9726867394671834
Energy: 1.0231782530450186
Energy: 1.1231168534074027
Energy: 1.0231782530450186
Energy: 1.1231168534068658
Energy: 1.0231782530439446
Energy: 1.1231168534063287
Energy: 0.9930135388144705
Energy: 1.0268102824536278
Energy: 0.9930135388139336
Energy: 1.0268102824530907
Energy: 0.9930135388144705
Energy: 1.0268102824525538
Energy: 1.0149885671921652
Energy: 1.0173269150408075
Energy: 1.014988567193239
Energy: 1.0173269150424185
Energy: 1.014988567193239
Energy: 1.0173269150413446
Energy: 1.0139180223969286
Energy: 1.159348398807958
Energy: 1.0139180223969286
Energy: 1.1593483988090318
Energy: 1.013918022396392
Energy: 1.1593483988074211
Energy: 1.020978493173116
Energy: 1.0040531753398136
Energy: 1.0209784931741899
Energy: 1.0040531753414241
Energy: 1.0209784931736527
Energy: 1.0040531753403505
Energy: 0.9506220138611708
Energy: 1.0285285202514847
Energy: 0.9506220138600969
Energy: 1.0285285202504106
Energy: 0.950622013860634
Energy: 1.0285285202509478
Energy: 1.0109582923648572
Energy: 1.0233406054902394
Energy: 1.01095829236432
Energy: 1.0233406054907763
Energy: 1.01095829236432
Energy: 1.0233406054902394
Energy: 1.0130023089758602
Energy: 0.9491157301351097
Energy: 1.0130023089769342
Energy: 0.9491157301345727
Energy: 1.0130023089774711
Energy: 0.9491157301340357
Energy: 1.16004896697674
Energy: 1.0141979569307562
Energy: 1.16004896697674
Energy: 1.0141979569291453
Energy: 1.1600489669772769
Energy: 1.014197956931293
Energy: 1.0170643821493026
Energy: 0.994065067633562
Energy: 1.0170643821519876
Energy: 0.9940650676351728
Energy: 1.0170643821503766
Energy: 0.994065067633562
Energy: 1.0227472003658262
Energy: 0.977638071426897
Energy: 1.0227472003663631
Energy: 0.977638071426897
Energy: 1.0227472003663631
Energy: 0.977638071426897
Energy: 1.0124708605449906
Energy: 1.02864440873435
Energy: 1.0124708605439168
Energy: 1.0286444087338134
Energy: 1.0124708605449906
Energy: 1.0286444087338134
Energy: 1.015212749625958
Energy: 1.0233584936581814
Energy: 1.0152127496264949
Energy: 1.0233584936592555
Energy: 1.0152127496254209
Energy: 1.0233584936576445

minimum gb energy = 0.9476914379724812 eV
minimum distance =  2.28736958053252 Angstroms
sigma value = 33


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

Energy: 0.01868044855462643
Energy: 0.7090831928532655
Energy: 0.01868044855462643
Energy: 0.7090831928532655
Energy: 0.01868044855462643
Energy: 0.7090831928532655
Energy: 0.01951042689293963
Energy: -0.5052013677276248
Energy: 0.01951042689293963
Energy: -0.5052013677276248
Energy: 0.01951042689293963
Energy: -0.5052013677271786
Energy: 0.7094014341303096
Energy: -0.503160904613239
Energy: 0.709401433753573
Energy: -0.5031609046140818
Energy: 0.7094014350620882
Energy: -0.5031609046140818
Energy: 0.01951042689293963
Energy: -0.5052013677267324
Energy: 0.019510426892493493
Energy: -0.5052013677267324
Energy: 0.01951042689293963
Energy: -0.5052013677276248

minimum gb energy = -0.5052013677276248 eV
minimum distance =  2.45621626859327 Angstroms
sigma value = 1