Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Ni__MO_108408461881_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.491938583552837
cohesive_energy=4.443733403167747
mass=58.6934
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: -8.48587922344666e-25 eV

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

Energy: 0.01842924190369037
Energy: 1.333988375900887
Energy: 0.01842924190369037
Energy: 1.333988375900887
Energy: 0.01842924190369037
Energy: 1.3339883759005509
Energy: 1.3339883759005509
Energy: 1.3008332502880715
Energy: 1.333988375900887
Energy: 1.3008332502880715
Energy: 1.3339883759005509
Energy: 1.3008332502880715
Energy: 0.01842924190369037
Energy: 1.333988375900887
Energy: 0.01842924190369037
Energy: 1.333988375900887
Energy: 0.01842924190369037
Energy: 1.3339883759005509
Energy: 1.3339883759005509
Energy: 1.3008332502880715
Energy: 1.3339883759005509
Energy: 1.3008332502884077
Energy: 1.333988375900887
Energy: 1.3008332502880715
Energy: 0.01842924190369037
Energy: 1.3339883759005509
Energy: 0.01842924190369037
Energy: 1.333988375900887
Energy: 0.01842924190369037
Energy: 1.3339883759005509
Energy: 1.3339883759005509
Energy: 1.3008332502884077
Energy: 1.333988375900887
Energy: 1.3008332502880715
Energy: 1.333988375900887
Energy: 1.3008332502884077

minimum gb energy = 0.01842924190369037 eV
minimum distance =  2.34345987027258 Angstroms
sigma value = 1


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

Energy: 1.5928938603146936
Energy: 1.5021959608974425
Energy: 1.5928938603146936
Energy: 1.5021959608974425
Energy: 1.5928938603146936
Energy: 1.5021959608974425
Energy: 1.7282250299083612
Energy: 1.3895220288231729
Energy: 1.7282250299083612
Energy: 1.3895220288231729
Energy: 1.7282250299083612
Energy: 1.3895220288231729
Energy: 1.4976399341765143
Energy: 1.586926711142637
Energy: 1.5850203421297813
Energy: 1.586926711143446
Energy: 1.4976399341765143
Energy: 1.586926711142637
Energy: 1.6913005404214028
Energy: 1.4657269857112498
Energy: 1.6913005404214028
Energy: 1.4657269857112498
Energy: 1.6913005404214028
Energy: 1.4657269857112498
Energy: 1.5193777709464598
Energy: 1.6019946326469716
Energy: 1.5193777709464598
Energy: 1.6019946326477807
Energy: 1.5193777709464598
Energy: 1.6019946326477807
Energy: 1.5969129689441923
Energy: 1.426130256404358
Energy: 1.5969129689441923
Energy: 1.426130256403549
Energy: 1.5969129689441923
Energy: 1.426130256404358
Energy: 1.5082529182187612
Energy: 1.5662613610900453
Energy: 1.5082529182179523
Energy: 1.5662613610900453
Energy: 1.5082529182187612
Energy: 1.5662613610900453
Energy: 1.4599100162329142
Energy: 1.6870186711589747
Energy: 1.459910016233723
Energy: 1.6870186711589747
Energy: 1.459910016233723
Energy: 1.6870186711581658
Energy: 1.6309391092023833
Energy: 1.5770255644493194
Energy: 1.6309391092023833
Energy: 1.5770255644493194
Energy: 1.6309391092023833
Energy: 1.5770255644493194
Energy: 1.3728725945090539
Energy: 1.6674787510878832
Energy: 1.3728725945090539
Energy: 1.6674787510878832
Energy: 1.3728725945090539
Energy: 1.6674787510878832
Energy: 1.8562924106955505
Energy: 1.4254660976450195
Energy: 1.8562924106955505
Energy: 1.4254660976450195
Energy: 1.8562924106955505
Energy: 1.4254660976450195
Energy: 1.3392240913583897
Energy: 1.6735978061350627
Energy: 1.3392240913583897
Energy: 1.6735978061350627
Energy: 1.3392240913583897
Energy: 1.6735978061350627
Energy: 1.7220447181930811
Energy: 1.3281094174871864
Energy: 1.7220447181930811
Energy: 1.3281094174871864
Energy: 1.7220447181930811
Energy: 1.3281094174871864
Energy: 1.447603072573362
Energy: 1.4875599117413585
Energy: 1.447603072573362
Energy: 1.4875599117413585
Energy: 1.447603072573362
Energy: 1.4875599117413585
Energy: 1.7738130538472998
Energy: 1.3855711031648716
Energy: 1.7738130538472998
Energy: 1.3855711031648716
Energy: 1.7738130538472998
Energy: 1.3855711031648716
Energy: 1.7744450393639821
Energy: 1.5961910730278859
Energy: 1.7744450393639821
Energy: 1.5961910730278859
Energy: 1.7744450393639821
Energy: 1.5961910730278859
Energy: 1.5524775614198938
Energy: 1.5416701039501854
Energy: 1.5524775614190849
Energy: 1.5416701039501854
Energy: 1.5524775614190849
Energy: 1.5416701039501854
Energy: 1.5524520217909947
Energy: 1.470670744036246
Energy: 1.5524520217909947
Energy: 1.470670744036246
Energy: 1.5524520217909947
Energy: 1.470670744036246
Energy: 1.3756451237793925
Energy: 1.466318030829621
Energy: 1.3756451237793925
Energy: 1.466318030829621
Energy: 1.3756451237793925
Energy: 1.4663180308304302
Energy: 1.553023367382092
Energy: 1.425931889952629
Energy: 1.553023367382092
Energy: 1.425931889952629
Energy: 1.553023367382092
Energy: 1.4259318899518199
Energy: 1.4035106224717837
Energy: 1.6953414256016979
Energy: 1.4035106224717837
Energy: 1.6953414256008887
Energy: 1.4035106224717837
Energy: 1.6953414256000798
Energy: 1.6118907097204218
Energy: 1.5694764631557843
Energy: 1.6118907097212312
Energy: 1.5694764631557843
Energy: 1.6118907097212312
Energy: 1.5694764631557843
Energy: 1.3226236120012242
Energy: 1.7009371489077842
Energy: 1.3226236120012242
Energy: 1.7009371489077842
Energy: 1.3226236120012242
Energy: 1.7009371489077842

minimum gb energy = 1.3226236120012242 eV
minimum distance =  2.24109965910223 Angstroms
sigma value = 33


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

Energy: 1.7410699081620182
Energy: 1.6731710000881506
Energy: 1.6802554979876556
Energy: 1.67317100008769
Energy: 1.7410699081620182
Energy: 1.6731710000881506
Energy: 1.7083408996406537
Energy: 1.4805010379675425
Energy: 1.7083408996401939
Energy: 1.4805010379675425
Energy: 1.7083408996406537
Energy: 1.4805010379675425
Energy: 1.4349848943677748
Energy: 1.4819463953426837
Energy: 1.4349848943677748
Energy: 1.4819463953422236
Energy: 1.4349848943677748
Energy: 1.4819463953422236
Energy: 1.721364674282276
Energy: 1.6428459817557453
Energy: 1.721364674282276
Energy: 1.6428459817557453
Energy: 1.721364674282276
Energy: 1.6428459817552852
Energy: 1.5679811953375753
Energy: 1.5486836693217032
Energy: 1.5679811953375753
Energy: 1.5486836693212431
Energy: 1.5679811953375753
Energy: 1.5486836693217032
Energy: 1.475112504675924
Energy: 1.4339589147071738
Energy: 1.475112504675924
Energy: 1.433958914707634
Energy: 1.475112504675924
Energy: 1.4339589147071738
Energy: 1.7103640115088838
Energy: 1.6606756239190945
Energy: 1.710901646361645
Energy: 1.6606756239190945
Energy: 1.7103640115088838
Energy: 1.6606756239190945
Energy: 1.388293516814654
Energy: 1.748044152649468
Energy: 1.3882918460543525
Energy: 1.748044152649468
Energy: 1.388293516814654
Energy: 1.7480441526499286
Energy: 1.4137379032571682
Energy: 1.4368922607661037
Energy: 1.4137379032571682
Energy: 1.4368922607661037
Energy: 1.4137379032571682
Energy: 1.4368922607661037
Energy: 1.40901639572183
Energy: 1.7638696738345803
Energy: 1.4090698275210731
Energy: 1.7638696738350408
Energy: 1.40901639572183
Energy: 1.7638696738345803
Energy: 1.5291493742417757
Energy: 1.4123387193109591
Energy: 1.529150156651585
Energy: 1.4123387193109591
Energy: 1.5291465139213192
Energy: 1.4123387193109591
Energy: 1.4345017448008521
Energy: 1.530909514738826
Energy: 1.4345017687521153
Energy: 1.530909514738826
Energy: 1.4345017448013124
Energy: 1.530909514738826
Energy: 1.6019196929948571
Energy: 1.3966083326338141
Energy: 1.6019196929948571
Energy: 1.3966083326338141
Energy: 1.6019196929948571
Energy: 1.396608332633354
Energy: 1.5987487155324
Energy: 1.6876415581403152
Energy: 1.5987487155324
Energy: 1.6876415581403152
Energy: 1.5987487155324
Energy: 1.6876415581398547
Energy: 1.593730889048078
Energy: 1.482784305656924
Energy: 1.5937308890476178
Energy: 1.482784305656924
Energy: 1.5937308890476178
Energy: 1.4827843056573842
Energy: 1.4339954644289474
Energy: 1.4833304242151035
Energy: 1.4339954644298676
Energy: 1.4833304242151035
Energy: 1.4339954644298676
Energy: 1.4833304242151035
Energy: 1.7147491550714418
Energy: 1.6420544729658415
Energy: 1.7147491550714418
Energy: 1.6420544729658415
Energy: 1.7147491550714418
Energy: 1.6420544729663018
Energy: 1.568026709722525
Energy: 1.4334403550889323
Energy: 1.568026709722985
Energy: 1.4334403550889323
Energy: 1.568026709722985
Energy: 1.4334403550889323
Energy: 1.4774542459959534
Energy: 1.4613101666051866
Energy: 1.4774542459959534
Energy: 1.4613101666047266
Energy: 1.4774542459959534
Energy: 1.4613101666047266
Energy: 1.6819464031690212
Energy: 1.664159676791657
Energy: 1.6819464031690212
Energy: 1.664159676791657
Energy: 1.681946403169481
Energy: 1.664159676791657
Energy: 1.3452888422758946
Energy: 1.7537617225783042
Energy: 1.3452888422758946
Energy: 1.7537617225783042
Energy: 1.3452888422758946
Energy: 1.7537617225783042
Energy: 1.4825842250882335
Energy: 1.4376524745953314
Energy: 1.4825842250877734
Energy: 1.4376524745953314
Energy: 1.4825842250882335
Energy: 1.4376524745953314
Energy: 1.4088014862581482
Energy: 1.7622772603390502
Energy: 1.4087998818559389
Energy: 1.7622772603390502
Energy: 1.4088014862576879
Energy: 1.7622772603390502
Energy: 1.6382086799713067
Energy: 1.5698391300633248
Energy: 1.638208679969926
Energy: 1.5698391300633248
Energy: 1.6382086799584217
Energy: 1.569839130063785
Energy: 1.4345134692930628
Energy: 1.4753202358350452
Energy: 1.4347461757242617
Energy: 1.4753202358350452
Energy: 1.4345134692930628
Energy: 1.4753202358350452
Energy: 1.749510448412131
Energy: 1.6476307276845805
Energy: 1.6893143922436744
Energy: 1.6476307276845805
Energy: 1.749510448412131
Energy: 1.6476307276850408
Energy: 1.7485925294375964
Energy: 1.630111223772484
Energy: 1.6883698325559169
Energy: 1.630111223772484
Energy: 1.7485925294375964
Energy: 1.630111223772484
Energy: 1.433847611300563
Energy: 1.4114043157379061
Energy: 1.433847611301023
Energy: 1.4114043157379061
Energy: 1.433847611301023
Energy: 1.4114043157379061
Energy: 1.7678063352986289
Energy: 1.4797552851817046
Energy: 1.7678063352986289
Energy: 1.4797552851817046
Energy: 1.7678063352990891
Energy: 1.4797552851817046
Energy: 1.4089108301798432
Energy: 1.5280846984305863
Energy: 1.4089108301798432
Energy: 1.5280844986083535
Energy: 1.4089108301798432
Energy: 1.5280823963043795
Energy: 1.6151611856329755
Energy: 1.4370543171847103
Energy: 1.6151611856329755
Energy: 1.4370543171847103
Energy: 1.6151611856325152
Energy: 1.4370543171847103
Energy: 1.3963834967832507
Energy: 1.4039728683107595
Energy: 1.396383496783711
Energy: 1.4039728683204231
Energy: 1.396383496783711
Energy: 1.4039728682960337
Energy: 1.7126666846024146
Energy: 1.6641353317475063
Energy: 1.7124817390554228
Energy: 1.6641353317475063
Energy: 1.7126666846024146
Energy: 1.6641353317475063
Energy: 1.484705973794585
Energy: 1.5930062623724497
Energy: 1.4847059737941248
Energy: 1.5930062623724497
Energy: 1.4847059737941248
Energy: 1.59300626237291
Energy: 1.481633915291811
Energy: 1.4341993490154128
Energy: 1.481633915291811
Energy: 1.4341993490149525
Energy: 1.481633915291811
Energy: 1.4341993490149525
Energy: 1.6471475372920423
Energy: 1.7182657954543126
Energy: 1.6471475372925024
Energy: 1.7182657954543126
Energy: 1.6471475372920423
Energy: 1.7182657954543126
Energy: 1.433586094081454
Energy: 1.5688046584039772
Energy: 1.4335561719243315
Energy: 1.5688046584035171
Energy: 1.433586094081454
Energy: 1.5688046584035171
Energy: 1.4732925353630073
Energy: 1.474937011225366
Energy: 1.4732925353630073
Energy: 1.4749370112249058
Energy: 1.4732925353630073
Energy: 1.4749370112249058
Energy: 1.598871731822854
Energy: 1.6850381669484138
Energy: 1.598871731822854
Energy: 1.6850381669479533
Energy: 1.598871731822854
Energy: 1.6850381669484138
Energy: 1.7476932579671116
Energy: 1.3457078377273963
Energy: 1.7476932579675717
Energy: 1.3457078377273963
Energy: 1.7476932579671116
Energy: 1.3457078377273963
Energy: 1.4345015660421816
Energy: 1.4107474942049327
Energy: 1.4345015660421816
Energy: 1.4107474942049327
Energy: 1.4345015660421816
Energy: 1.4107474942049327

minimum gb energy = 1.3452888422758946 eV
minimum distance =  2.33170432521529 Angstroms
sigma value = 51


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

Energy: 1.5611788885247
Energy: 1.586985633018628
Energy: 1.561178888525766
Energy: 1.586985633018628
Energy: 1.5611788885247
Energy: 1.586985633018628
Energy: 1.6827838746620165
Energy: 1.4824333013104178
Energy: 1.6827838746620165
Energy: 1.4824333013104178
Energy: 1.6827838746620165
Energy: 1.4824333013104178
Energy: 1.4398419359148449
Energy: 1.5721271451561214
Energy: 1.4398419359148449
Energy: 1.5721271451561214
Energy: 1.4398419359159114
Energy: 1.5721271451561214
Energy: 1.5554918991489353
Energy: 1.3608317991817036
Energy: 1.5554918991489353
Energy: 1.3608317991817036
Energy: 1.5554918991489353
Energy: 1.3608317991827696
Energy: 1.575491256351457
Energy: 1.516110660715671
Energy: 1.575491256352523
Energy: 1.516110660715671
Energy: 1.575491256351457
Energy: 1.5161106607146047
Energy: 1.656738040789479
Energy: 1.5157475295055582
Energy: 1.656738040789479
Energy: 1.5157475295066245
Energy: 1.656738040789479
Energy: 1.5157475295055582
Energy: 1.5036818404563799
Energy: 1.5156764598217805
Energy: 1.5036818404574461
Energy: 1.5156764598217805
Energy: 1.5036818404574461
Energy: 1.5156764598217805
Energy: 1.4404985543674478
Energy: 1.5168437394004337
Energy: 1.4404985543674478
Energy: 1.5168437394004337
Energy: 1.4404985543674478
Energy: 1.5168437394004337
Energy: 1.7600171748634013
Energy: 1.3607897438918164
Energy: 1.7600171748634013
Energy: 1.3607897438918164
Energy: 1.7600171748634013
Energy: 1.3607897438918164
Energy: 1.3900946931199971
Energy: 1.6010076901290433
Energy: 1.3900946931199971
Energy: 1.6010076901290433
Energy: 1.3900946931199971
Energy: 1.6010076901290433
Energy: 1.6470454655977722
Energy: 1.3684744013653825
Energy: 1.6470454655977722
Energy: 1.3684744013653825
Energy: 1.6470454655977722
Energy: 1.3684744013653825
Energy: 1.5582882025474725
Energy: 1.5908155836708895
Energy: 1.5582882025474725
Energy: 1.5908155836708895
Energy: 1.5582882025474725
Energy: 1.5908155836719557
Energy: 1.6792303486389373
Energy: 1.4786926310705986
Energy: 1.6792303486389373
Energy: 1.4786926310705986
Energy: 1.6792303486389373
Energy: 1.4786926310705986
Energy: 1.500000325840982
Energy: 1.4614336216815274
Energy: 1.500000325840982
Energy: 1.461433621680461
Energy: 1.5000003258399157
Energy: 1.461433621680461
Energy: 1.554626221076918
Energy: 1.567812295747074
Energy: 1.554626221076918
Energy: 1.567812295747074
Energy: 1.554626221076918
Energy: 1.567812295747074
Energy: 1.5756832669556255
Energy: 1.5157126554962537
Energy: 1.5756832669556255
Energy: 1.51571265549732
Energy: 1.5756832669556255
Energy: 1.51571265549732
Energy: 1.5759324357025017
Energy: 1.6379764242816894
Energy: 1.5759324357025017
Energy: 1.6379764242816894
Energy: 1.5759324357025017
Energy: 1.6379764242816894
Energy: 1.563781759256239
Energy: 1.5214390288419306
Energy: 1.563781759256239
Energy: 1.5214390288419306
Energy: 1.563781759256239
Energy: 1.5214390288419306

minimum gb energy = 1.3607897438918164 eV
minimum distance =  2.2404187097393 Angstroms
sigma value = 19


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

Energy: 1.4617468937436362
Energy: 1.5083983251276087
Energy: 1.3021355731006854
Energy: 1.5083983251276087
Energy: 1.4617468937436362
Energy: 1.5083983251276087
Energy: 1.6087766418732568
Energy: 1.5725960213222123
Energy: 1.6087766418732568
Energy: 1.5725960213222123
Energy: 1.6087766418732568
Energy: 1.5725960213222123
Energy: 1.4035931405702606
Energy: 1.3668429287321757
Energy: 1.4035931405702606
Energy: 1.3668429287321757
Energy: 1.4035931405702606
Energy: 1.3668429287321757
Energy: 1.558196021586212
Energy: 1.4036695660026217
Energy: 1.558196021586212
Energy: 1.4037063085760966
Energy: 1.558196021586212
Energy: 1.4036695660026217
Energy: 1.4545397893658432
Energy: 1.3789855776028848
Energy: 1.4545397893658432
Energy: 1.29917214366378
Energy: 1.4545397893658432
Energy: 1.3789855776028848
Energy: 1.2869541423299964
Energy: 1.378851609405164
Energy: 1.2869541423299964
Energy: 1.2991784976250087
Energy: 1.286954142329364
Energy: 1.378851609405164
Energy: 1.3668388659286563
Energy: 1.4037248743743607
Energy: 1.3668388659286563
Energy: 1.4037248743743607
Energy: 1.366838865929289
Energy: 1.4037248743743607
Energy: 1.4036486137395048
Energy: 1.7425137488572335
Energy: 1.4036454843653439
Energy: 1.7425137488572335
Energy: 1.403648613740137
Energy: 1.7425137488572335
Energy: 1.5001478369100567
Energy: 1.5190973559576708
Energy: 1.5001478369106893
Energy: 1.5190973559570384
Energy: 1.5001478369106893
Energy: 1.5190973559576708
Energy: 1.3021355731006854
Energy: 1.5083983251276087
Energy: 1.3021355731006854
Energy: 1.5083983251276087
Energy: 1.302135573101318
Energy: 1.5083983251276087
Energy: 1.6087766418732568
Energy: 1.5725960213222123
Energy: 1.6087766418732568
Energy: 1.5725960213228447
Energy: 1.6087766418732568
Energy: 1.5725960213222123
Energy: 1.4035931405702606
Energy: 1.3668429287321757
Energy: 1.4035931405702606
Energy: 1.3668429287321757
Energy: 1.4035931405702606
Energy: 1.3668429287321757
Energy: 1.558196021586212
Energy: 1.40372924752702
Energy: 1.558196021586212
Energy: 1.4036718348717823
Energy: 1.558196021586212
Energy: 1.40372924752702
Energy: 1.4545397893658432
Energy: 1.29917214366378
Energy: 1.4545397893658432
Energy: 1.3790347449401485
Energy: 1.4545397893658432
Energy: 1.2991721436644126
Energy: 1.286954142329364
Energy: 1.2991784976250087
Energy: 1.2869541423299964
Energy: 1.3788038013476038
Energy: 1.2869541423299964
Energy: 1.2991784976250087
Energy: 1.3668388659286563
Energy: 1.4037248743743607
Energy: 1.366838865929289
Energy: 1.4037248743743607
Energy: 1.366838865929289
Energy: 1.4037248743743607
Energy: 1.4038471727719184
Energy: 1.7425137488572335
Energy: 1.403607136443056
Energy: 1.7425137488572335
Energy: 1.4038471727719184
Energy: 1.7425137488578655
Energy: 1.4518949478484406
Energy: 1.5190973559576708
Energy: 1.5001478369106893
Energy: 1.5190973559570384
Energy: 1.4518949478484406
Energy: 1.5190973559570384
Energy: 1.4617468937436362
Energy: 1.5083983251276087
Energy: 1.3021355731006854
Energy: 1.5083983251276087
Energy: 1.4617468937436362
Energy: 1.5083983251282411
Energy: 1.6087766418732568
Energy: 1.5725960213222123
Energy: 1.6087766418732568
Energy: 1.5725960213222123
Energy: 1.6087766418732568
Energy: 1.5725960213222123
Energy: 1.4035931405702606
Energy: 1.3668429287321757
Energy: 1.4035931405702606
Energy: 1.3668429287321757
Energy: 1.4035931405702606
Energy: 1.3668429287321757
Energy: 1.558196021586212
Energy: 1.4036695660026217
Energy: 1.558196021586212
Energy: 1.4037063085760966
Energy: 1.558196021586212
Energy: 1.4036695660026217
Energy: 1.4545397893658432
Energy: 1.3789855776028848
Energy: 1.4545397893658432
Energy: 1.29917214366378
Energy: 1.4545397893658432
Energy: 1.3789855776028848
Energy: 1.286954142329364
Energy: 1.378851609405164
Energy: 1.2869541423299964
Energy: 1.2991784976250087
Energy: 1.2869541423299964
Energy: 1.378851609405164
Energy: 1.366838865929289
Energy: 1.4037248743743607
Energy: 1.366838865929289
Energy: 1.4037248743743607
Energy: 1.3668388659286563
Energy: 1.4037248743743607
Energy: 1.403648613740137
Energy: 1.7425137488572335
Energy: 1.4036454843647115
Energy: 1.7425137488572335
Energy: 1.403648613740137
Energy: 1.7425137488578655
Energy: 1.5001478369106893
Energy: 1.5190973559576708
Energy: 1.5001478369106893
Energy: 1.5190973559570384
Energy: 1.5001478369100567
Energy: 1.5190973559570384
Energy: 1.3021355731006854
Energy: 1.5083983251276087
Energy: 1.3021355731006854
Energy: 1.5083983251276087
Energy: 1.3021355731006854
Energy: 1.5083983251276087
Energy: 1.6087766418732568
Energy: 1.5725960213222123
Energy: 1.6087766418732568
Energy: 1.5725960213222123
Energy: 1.6087766418732568
Energy: 1.5725960213222123
Energy: 1.4035931405702606
Energy: 1.3668429287315431
Energy: 1.4035931405702606
Energy: 1.3668429287321757
Energy: 1.4035931405702606
Energy: 1.3668429287321757

minimum gb energy = 1.286954142329364 eV
minimum distance =  2.34365445264761 Angstroms
sigma value = 27


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

Energy: 1.2731365433216204
Energy: 1.240585844670369
Energy: 1.2731365433216204
Energy: 1.240585844670369
Energy: 1.2731365433216204
Energy: 1.240585844670369
Energy: 1.4625142786815613
Energy: 1.2881619269828626
Energy: 1.4625142786831105
Energy: 1.2881619269828626
Energy: 1.4625142786831105
Energy: 1.2881619269828626
Energy: 1.2982796815161575
Energy: 1.431250965864421
Energy: 1.2982796814464792
Energy: 1.431250965864421
Energy: 1.2982796815331634
Energy: 1.431250965864421
Energy: 1.4451194129231149
Energy: 1.2049376562329561
Energy: 1.4451194129231149
Energy: 1.2049376562329561
Energy: 1.4451194129231149
Energy: 1.2049376562329561
Energy: 1.4429120846734027
Energy: 1.2053316023082419
Energy: 1.4429120846734027
Energy: 1.2053316023082419
Energy: 1.4429120846734027
Energy: 1.2053316023066927
Energy: 1.461977370216782
Energy: 1.5199583726401518
Energy: 1.4619773702183314
Energy: 1.5199583726401518
Energy: 1.4619773702183314
Energy: 1.5199583726401518
Energy: 1.3574253578146158
Energy: 1.2908663891893464
Energy: 1.3574253578146158
Energy: 1.2908663891893464
Energy: 1.3574253578146158
Energy: 1.2908663891893464
Energy: 1.267511230593185
Energy: 1.2425243739434002
Energy: 1.267511230593185
Energy: 1.2425243739434002
Energy: 1.267511230593185
Energy: 1.2425243739434002
Energy: 1.460212250938481
Energy: 1.2978957301082839
Energy: 1.460212250938481
Energy: 1.2978936642079595
Energy: 1.460212250938481
Energy: 1.2978947420445328
Energy: 1.4024243962300624
Energy: 1.458686424497109
Energy: 1.4024243962300624
Energy: 1.458686424497109
Energy: 1.4024243962300624
Energy: 1.458686424497109
Energy: 1.2422127120117765
Energy: 1.20577391152588
Energy: 1.2422127120117765
Energy: 1.20577391152588
Energy: 1.2422127120117765
Energy: 1.20577391152588
Energy: 1.516573368673736
Energy: 1.377983523504304
Energy: 1.5165733686721867
Energy: 1.377983523504304
Energy: 1.5165733686721867
Energy: 1.377983523504304

minimum gb energy = 1.2049376562329561 eV
minimum distance =  2.23265594655626 Angstroms
sigma value = 9


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

Energy: 1.2708312348043538
Energy: 1.224773892539508
Energy: 1.270831234804789
Energy: 1.2247738925399434
Energy: 1.270831234804789
Energy: 1.224773892539508
Energy: 1.2138061147511723
Energy: 1.1589897931757454
Energy: 1.213806114734196
Energy: 1.1589897931757454
Energy: 1.2138061147498664
Energy: 1.1589897931757454
Energy: 1.1249044113377515
Energy: 1.2478645094784906
Energy: 1.1249044113377515
Energy: 1.2478645094784906
Energy: 1.1249044113381867
Energy: 1.24786450947762
Energy: 1.1436950625260807
Energy: 1.1009430570157923
Energy: 1.1436950625260807
Energy: 1.1009430570157923
Energy: 1.1436950625260807
Energy: 1.1009430570162277
Energy: 1.2390130620934086
Energy: 1.1987827888714777
Energy: 1.2390130620929733
Energy: 1.1987827888723486
Energy: 1.2390130620929733
Energy: 1.1987827888723486
Energy: 1.2540085742486218
Energy: 1.3103400461354788
Energy: 1.2540085742490572
Energy: 1.2298950881569166
Energy: 1.2540085742490572
Energy: 1.2298950881569166
Energy: 1.168884611528063
Energy: 1.2443136822568877
Energy: 1.168884611528063
Energy: 1.2443136822568877
Energy: 1.1688846115276275
Energy: 1.2443136822568877
Energy: 1.0773320368563528
Energy: 1.2431344428525384
Energy: 1.077332036856788
Energy: 1.2431344428525384
Energy: 1.0773320368563528
Energy: 1.2431344428525384
Energy: 1.249790830917993
Energy: 1.1976855827080441
Energy: 1.249790830917993
Energy: 1.1976855827080441
Energy: 1.249790830917993
Energy: 1.1976855827080441
Energy: 1.2458972778881756
Energy: 1.3538534460427551
Energy: 1.2458972778877406
Energy: 1.3538534460823266
Energy: 1.2458972778877406
Energy: 1.3538534460201206
Energy: 1.1428141931162161
Energy: 1.109679951043871
Energy: 1.1428141931162161
Energy: 1.109679951043871
Energy: 1.1428141931162161
Energy: 1.109679951043871
Energy: 1.1831742155591565
Energy: 1.2898010514721285
Energy: 1.1831742155591565
Energy: 1.2898010514721285
Energy: 1.1831742155587213
Energy: 1.289801051472564
Energy: 1.2049772816474225
Energy: 1.211876879171561
Energy: 1.2049772816469873
Energy: 1.211876879171561
Energy: 1.2049772816474225
Energy: 1.211876879171561
Energy: 1.2657269994452085
Energy: 1.1458708017049932
Energy: 1.2657269994452085
Energy: 1.1458708017045578
Energy: 1.265726999444773
Energy: 1.1458708017049932
Energy: 1.1221515916147295
Energy: 1.2341858767618923
Energy: 1.1221515916142946
Energy: 1.2341858767618923
Energy: 1.1221515916142946
Energy: 1.2341858767623277
Energy: 1.1388415497378581
Energy: 1.2079205894227496
Energy: 1.1388415497378581
Energy: 1.2079205894227496
Energy: 1.1388415497378581
Energy: 1.207920589423185
Energy: 1.4444524414250264
Energy: 1.1014416363485515
Energy: 1.4444524414250264
Energy: 1.101441636348987
Energy: 1.4444524414250264
Energy: 1.1014416363481163
Energy: 1.137046191613377
Energy: 1.193648015336966
Energy: 1.137046191613377
Energy: 1.1936480153374014
Energy: 1.137046191613377
Energy: 1.1936480153374014
Energy: 1.073164475277285
Energy: 1.4610059804596398
Energy: 1.073164475277285
Energy: 1.4610059804600752
Energy: 1.073164475277285
Energy: 1.4610059804596398
Energy: 1.3344110770740292
Energy: 1.1128611572967095
Energy: 1.3344110770740292
Energy: 1.403889299773609
Energy: 1.3344110770740292
Energy: 1.1128611572967095
Energy: 1.0731653740677292
Energy: 1.4612741539335596
Energy: 1.073165374067294
Energy: 1.4612741539335596
Energy: 1.073165374067294
Energy: 1.4612741539335596
Energy: 1.1370633784518878
Energy: 1.1933852634332018
Energy: 1.1370633784518878
Energy: 1.1933852634332018
Energy: 1.1370633784518878
Energy: 1.1933852634332018
Energy: 1.4446958159381065
Energy: 1.1015433523800777
Energy: 1.4446958159381065
Energy: 1.1015433523800777
Energy: 1.4446958159376713
Energy: 1.101543352380513
Energy: 1.1388469494451596
Energy: 1.2425944644348632
Energy: 1.1388469494451596
Energy: 1.2425944644352984
Energy: 1.1388469494447242
Energy: 1.2425944644348632
Energy: 1.1220792033950686
Energy: 1.2346210306574414
Energy: 1.1220792033950686
Energy: 1.2346210306574414
Energy: 1.1220792033950686
Energy: 1.2346210306574414
Energy: 1.2659087889523966
Energy: 1.2381506660099122
Energy: 1.2659087889519614
Energy: 1.2381506660099122
Energy: 1.2659087889523966
Energy: 1.2381506660099122
Energy: 1.205265941678013
Energy: 1.211938827682486
Energy: 1.205265941678013
Energy: 1.211938827682486
Energy: 1.205265941678013
Energy: 1.211938827682486
Energy: 1.1830508792684808
Energy: 1.1949264221272546
Energy: 1.1830508792684808
Energy: 1.1949264221272546
Energy: 1.1830508792689158
Energy: 1.1949264221272546
Energy: 1.14284163909781
Energy: 1.109665770211822
Energy: 1.14284163909781
Energy: 1.1096657702113866
Energy: 1.14284163909781
Energy: 1.109665770211822
Energy: 1.2446795257743755
Energy: 1.162284026916942
Energy: 1.2446795257743755
Energy: 1.162284026916507
Energy: 1.2446795257743755
Energy: 1.1622840269147658
Energy: 1.2498444462301677
Energy: 1.1973517245559608
Energy: 1.2498444462297325
Energy: 1.1973517245559608
Energy: 1.2498444462297325
Energy: 1.1973517245559608
Energy: 1.077334058713051
Energy: 1.2432032700167324
Energy: 1.077334058713051
Energy: 1.2432032700171676
Energy: 1.0773340587134865
Energy: 1.2432032700171676
Energy: 1.1690028874054126
Energy: 1.2443473426347622
Energy: 1.1690028874049772
Energy: 1.2443473426343268
Energy: 1.1690028874054126
Energy: 1.2443473426343268
Energy: 1.253922201910604
Energy: 1.221080674138972
Energy: 1.2539222019101688
Energy: 1.221080674138972
Energy: 1.2539222019101688
Energy: 1.2210806741394074
Energy: 1.2391546490472147
Energy: 1.1988095452467955
Energy: 1.2391546490472147
Energy: 1.1988095452463603
Energy: 1.2391546490472147
Energy: 1.1988095452463603
Energy: 1.1440104435624827
Energy: 1.1008319560886055
Energy: 1.1440104435624827
Energy: 1.1008319560886055
Energy: 1.1440104435624827
Energy: 1.1008319560886055
Energy: 1.1248441799788667
Energy: 1.2477276275081843
Energy: 1.1248441799788667
Energy: 1.2477276275081843
Energy: 1.1248441799788667
Energy: 1.2477276275081843
Energy: 1.2132168431607562
Energy: 1.115719828093391
Energy: 1.2132168431598853
Energy: 1.115719828093391
Energy: 1.2132168431564032
Energy: 1.115719828093391
Energy: 1.270831234804789
Energy: 1.2247738925399434
Energy: 1.270831234804789
Energy: 1.2247738925399434
Energy: 1.270831234804789
Energy: 1.2247738925399434
Energy: 1.2138061147254904
Energy: 1.1906761555958718
Energy: 1.213806114730714
Energy: 1.1906761555958718
Energy: 1.2138061147289727
Energy: 1.1906761555958718
Energy: 1.1249044113377515
Energy: 1.2478645094789258
Energy: 1.1249044113377515
Energy: 1.2478645094784906
Energy: 1.1249044113377515
Energy: 1.2478645094784906
Energy: 1.1436950625260807
Energy: 1.1009430570162277
Energy: 1.1436950625260807
Energy: 1.1009430570162277
Energy: 1.1436950625260807
Energy: 1.1009430570157923
Energy: 1.2390130620934086
Energy: 1.1987827888719131
Energy: 1.2390130620929733
Energy: 1.1987827888723486
Energy: 1.2390130620934086
Energy: 1.1987827888719131

minimum gb energy = 1.073164475277285 eV
minimum distance =  2.27863973340476 Angstroms
sigma value = 57


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

Energy: 0.5643017819093403
Energy: 0.5776893231790797
Energy: 0.5643017819093403
Energy: 0.5776893231790797
Energy: 0.5643017819093403
Energy: 0.5776893231800706
Energy: 0.7146174120950856
Energy: 0.5663048646736468
Energy: 0.7146174120950856
Energy: 0.5663048646746377
Energy: 0.7146174120950856
Energy: 0.5663048646746377
Energy: 0.6328077196660687
Energy: 0.7009924648527585
Energy: 0.6328077196660687
Energy: 0.7009924648537492
Energy: 0.6328077196660687
Energy: 0.7009924648537492
Energy: 0.5797700147395078
Energy: 0.5637264808597414
Energy: 0.5797700147385171
Energy: 0.5637264808597414
Energy: 0.5797700147395078
Energy: 0.5637264808597414
Energy: 0.7149759028209243
Energy: 0.7202562240501752
Energy: 0.7149759028209243
Energy: 0.7202562240511661
Energy: 0.7149759028209243
Energy: 0.7202562240511661
Energy: 0.5639217732344677
Energy: 0.6338268343254486
Energy: 0.5639217732344677
Energy: 0.6338268343254486
Energy: 0.5639217732344677
Energy: 0.6338268343254486
Energy: 0.5638827168271251
Energy: 0.6337248971837934
Energy: 0.5638827168271251
Energy: 0.6337248971837934
Energy: 0.5638827168271251
Energy: 0.6337248971837934
Energy: 0.7149853316986815
Energy: 0.7209493919635598
Energy: 0.7149853316986815
Energy: 0.7209493919635598
Energy: 0.7149853316986815
Energy: 0.7209493919635598
Energy: 0.5797723207083967
Energy: 0.5636281061357092
Energy: 0.5797723207083967
Energy: 0.5636281061347184
Energy: 0.5797723207083967
Energy: 0.5636281061357092
Energy: 0.6327826560158056
Energy: 0.701049596998431
Energy: 0.6327826560158056
Energy: 0.701049596998431
Energy: 0.6327826560167964
Energy: 0.701049596998431
Energy: 0.7150186866804573
Energy: 0.5641318110638874
Energy: 0.7150186866794666
Energy: 0.5641318110648784
Energy: 0.7150186866794666
Energy: 0.5641318110648784
Energy: 0.5643017819093403
Energy: 0.5776893231790797
Energy: 0.5643017819093403
Energy: 0.5776893231790797
Energy: 0.5643017819093403
Energy: 0.5776893231790797
Energy: 0.7146174120950856
Energy: 0.5663048646746377
Energy: 0.7146174120950856
Energy: 0.5663048646746377
Energy: 0.7146174120950856
Energy: 0.5663048646746377
Energy: 0.6328077196660687
Energy: 0.7009924648537492
Energy: 0.6328077196660687
Energy: 0.7009924648537492
Energy: 0.6328077196660687
Energy: 0.7009924648537492
Energy: 0.5797700147395078
Energy: 0.5637264808597414
Energy: 0.5797700147395078
Energy: 0.5637264808597414
Energy: 0.5797700147385171
Energy: 0.5637264808597414
Energy: 0.7149759028209243
Energy: 0.7202562240501752
Energy: 0.7149759028209243
Energy: 0.7202562240511661
Energy: 0.7149759028219151
Energy: 0.7202562240501752
Energy: 0.5639217732344677
Energy: 0.6338268343254486
Energy: 0.5639217732344677
Energy: 0.6338268343254486
Energy: 0.5639217732344677
Energy: 0.6338268343254486
Energy: 0.5638827168271251
Energy: 0.6337248971837934
Energy: 0.5638827168271251
Energy: 0.6337248971837934
Energy: 0.5638827168271251
Energy: 0.6337248971837934
Energy: 0.7149853316986815
Energy: 0.7209493919635598
Energy: 0.7149853316986815
Energy: 0.7209493919635598
Energy: 0.7149853316986815
Energy: 0.7209493919625688

minimum gb energy = 0.5636281061347184 eV
minimum distance =  2.37544348229929 Angstroms
sigma value = 11


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

Energy: 1.0019519508073202
Energy: 1.225065466984798
Energy: 1.0019519508065946
Energy: 1.225065466984798
Energy: 1.0019519508073202
Energy: 1.225065466984798
Energy: 1.2310571602751335
Energy: 1.0594131572891219
Energy: 1.2310571602744078
Energy: 1.0594131572891219
Energy: 1.2310571602744078
Energy: 1.0594131572891219
Energy: 1.2315631604994244
Energy: 1.3812135258279565
Energy: 1.23156316050015
Energy: 1.3812135258286822
Energy: 1.2315631604994244
Energy: 1.3812135258279565
Energy: 1.123743694944277
Energy: 0.9417557999220809
Energy: 1.1237436949420996
Energy: 0.9417557999220809
Energy: 1.1237436949420996
Energy: 0.9417557999220809
Energy: 0.9424810021904192
Energy: 0.9126811284863778
Energy: 0.9424810021911448
Energy: 0.9126811284856521
Energy: 0.9424810021911448
Energy: 0.9126811284856521
Energy: 1.1133643725316484
Energy: 0.9328048213126849
Energy: 1.1133643725316484
Energy: 0.9328048213134107
Energy: 1.1133643725316484
Energy: 0.9328048213134107
Energy: 0.8982791627922723
Energy: 0.9904550918087272
Energy: 0.8982791627915465
Energy: 0.9904550918087272
Energy: 0.8982791627915465
Energy: 0.9904550918087272
Energy: 1.214210830524268
Energy: 0.872327689426413
Energy: 1.2142108305249937
Energy: 0.872327689426413
Energy: 1.214210830524268
Energy: 0.872327689426413
Energy: 1.0980751321528937
Energy: 0.878018202872005
Energy: 1.0980751321514421
Energy: 0.878018202872005
Energy: 1.0980751321507163
Energy: 0.878018202872005
Energy: 0.8923959943233805
Energy: 1.3026435001794598
Energy: 0.8923959943233805
Energy: 1.3026435001787342
Energy: 0.8923959943226545
Energy: 1.3026435001794598
Energy: 1.1456660410772088
Energy: 1.1269671109538886
Energy: 1.1456660410764832
Energy: 1.126967110953163
Energy: 1.1456660410772088
Energy: 1.126967110953163
Energy: 1.0527952154902684
Energy: 0.9169326877174433
Energy: 1.052795215490994
Energy: 0.9169326877174433
Energy: 1.052795215490994
Energy: 0.9169326877174433
Energy: 1.0907877795903005
Energy: 0.9496286466505771
Energy: 1.0907877795903005
Energy: 0.9496286466505771
Energy: 1.0907877795910261
Energy: 0.9496286466505771
Energy: 1.2032132693775017
Energy: 1.34325658537892
Energy: 1.2032132693775017
Energy: 1.3432565853796457
Energy: 1.203213269376776
Energy: 1.3432565853796457
Energy: 1.2533514346385957
Energy: 1.0580672271586415
Energy: 1.2533514346385957
Energy: 1.0580672271586415
Energy: 1.2533514346385957
Energy: 1.0580672271593672
Energy: 0.969078790546874
Energy: 1.1008178643965563
Energy: 0.969078790546148
Energy: 1.1008178643965563
Energy: 0.969078790546874
Energy: 1.1008178643958304
Energy: 1.0734726508008572
Energy: 1.0466012656992958
Energy: 1.0734726508008572
Energy: 1.0466012656992958
Energy: 1.0734726508008572
Energy: 1.0466012656992958
Energy: 1.5010540280641553
Energy: 1.0414511405235924
Energy: 1.5010540280641553
Energy: 1.0414511405235924
Energy: 1.5010540280641553
Energy: 1.0414511405235924
Energy: 1.1240292572997903
Energy: 0.93657551378085
Energy: 1.1240292572997903
Energy: 0.93657551378085
Energy: 1.1240292572997903
Energy: 0.93657551378085
Energy: 0.9432586654452566
Energy: 1.0783405026448474
Energy: 0.9432586654445309
Energy: 1.0783405026448474
Energy: 0.943258665443805
Energy: 1.0783405026448474
Energy: 0.8940952021856087
Energy: 0.9358960585506381
Energy: 0.8940952021863344
Energy: 0.9358960585499123
Energy: 0.8940952021856087
Energy: 0.9358960585499123
Energy: 0.9505121784298481
Energy: 0.989426852957778
Energy: 0.9505121784291224
Energy: 0.989426852957778
Energy: 0.9505121784291224
Energy: 0.989426852957778
Energy: 1.0867759875553107
Energy: 1.0822231491949974
Energy: 1.0867759875545848
Energy: 1.0822231491949974
Energy: 1.0867759875538592
Energy: 1.0822231491949974
Energy: 1.096005435750179
Energy: 0.928813002890273
Energy: 1.096005435750179
Energy: 0.928813002890273
Energy: 1.096005435750179
Energy: 0.928813002890273
Energy: 0.8941748095692093
Energy: 1.3040417978048398
Energy: 0.8941748095684834
Energy: 1.3040417978055654
Energy: 0.8941748095684834
Energy: 1.3040417978048398
Energy: 1.6848627378714232
Energy: 1.1250924771094515
Energy: 1.6848627378714232
Energy: 1.1250924771094515
Energy: 1.6848627378714232
Energy: 1.1250924771094515

minimum gb energy = 0.872327689426413 eV
minimum distance =  2.28534318153942 Angstroms
sigma value = 41


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

Energy: 1.3177482406159717
Energy: 1.109374180663306
Energy: 1.2082916022389176
Energy: 1.109374180663306
Energy: 1.3177482406159717
Energy: 1.109374180663306
Energy: 1.2644381594582912
Energy: 1.1452965901165277
Energy: 1.2644381594582912
Energy: 1.1452965901119512
Energy: 1.2644381594588634
Energy: 1.1452965901136674
Energy: 1.229785283387532
Energy: 1.1697249498842361
Energy: 1.2297852833903926
Energy: 1.1697249498836644
Energy: 1.2297852833852438
Energy: 1.1697249498842361
Energy: 1.0647900229653018
Energy: 1.0907100796078877
Energy: 1.0647900229653018
Energy: 1.0907100796078877
Energy: 1.0647900229647298
Energy: 1.0907100796078877
Energy: 1.0733652845770034
Energy: 1.1566327831987133
Energy: 1.0733604006900868
Energy: 1.1566327831981413
Energy: 1.0733652845770034
Energy: 1.1566327831981413
Energy: 1.173038789685169
Energy: 1.1547199275930562
Energy: 1.173038789685169
Energy: 1.1547199275930562
Energy: 1.173038789685169
Energy: 1.1547199275930562
Energy: 1.0839214112960047
Energy: 1.081103703382612
Energy: 1.083921411296577
Energy: 1.081103703383756
Energy: 1.0839214112960047
Energy: 1.0811037033831838
Energy: 1.1339670830502913
Energy: 1.0908386314205185
Energy: 1.1340257434707068
Energy: 1.0908386314205185
Energy: 1.1339670830502913
Energy: 1.0908386314205185
Energy: 1.0029791800394177
Energy: 1.1427703274348173
Energy: 1.0029791800394177
Energy: 1.1427703274348173
Energy: 1.0029791800399896
Energy: 1.1427703274342453
Energy: 1.0531946023686798
Energy: 1.1731455367977661
Energy: 1.0531946023686798
Energy: 1.173145536798338
Energy: 1.0531946023692516
Energy: 1.1731455367977661
Energy: 1.0546887639160256
Energy: 1.092270680648403
Energy: 1.0546887639160256
Energy: 1.0922706806489755
Energy: 1.0546887639160256
Energy: 1.0922706806489755
Energy: 1.0440554248653748
Energy: 1.222909784562313
Energy: 1.0440554248653748
Energy: 1.222909784562313
Energy: 1.044055424865947
Energy: 1.222909784562313
Energy: 1.0533094886724657
Energy: 1.090196407157707
Energy: 1.0533094886730374
Energy: 1.090196407157707
Energy: 1.0533094886730374
Energy: 1.090196407157707
Energy: 1.0301957087962301
Energy: 1.181036976887613
Energy: 1.0301919246884317
Energy: 1.181036976887613
Energy: 1.0301957087956581
Energy: 1.181036976887613
Energy: 1.0551084012187981
Energy: 1.465995343128977
Energy: 1.055108401218226
Energy: 1.465995343128977
Energy: 1.0551084012187981
Energy: 1.465995343128977
Energy: 1.0234432936145328
Energy: 1.4080139332807127
Energy: 1.0234432936145328
Energy: 1.4080139332801405
Energy: 1.0234432936145328
Energy: 1.4080139332807127
Energy: 1.1444515640557913
Energy: 1.0901809210639177
Energy: 1.1439911804448875
Energy: 1.0901809210639177
Energy: 1.1444515640557913
Energy: 1.0901809210639177
Energy: 1.149376235227296
Energy: 1.434429940148871
Energy: 1.1492870366691428
Energy: 1.434429940149443
Energy: 1.1493762352250076
Energy: 1.434429940148871
Energy: 1.0835603461269219
Energy: 1.3812635219743592
Energy: 1.0835603461269219
Energy: 1.3812635219743592
Energy: 1.0835603461269219
Energy: 1.3812635219743592
Energy: 1.161472062473714
Energy: 1.3485082037009877
Energy: 1.0528109589496473
Energy: 1.3485082037009877
Energy: 1.161472062473714
Energy: 1.3485082037009877
Energy: 1.0644645758912603
Energy: 1.1448344138510083
Energy: 1.064464575890688
Energy: 1.1448344138527244
Energy: 1.0644645758912603
Energy: 1.144834413849864
Energy: 1.2324091768384944
Energy: 1.2675275716394052
Energy: 1.2324091768384944
Energy: 1.2675275716399772
Energy: 1.2324091768384944
Energy: 1.2675275716394052
Energy: 1.0657736251750252
Energy: 1.0933552574602092
Energy: 1.065773625174453
Energy: 1.0933552574602092
Energy: 1.0657736251750252
Energy: 1.0933552574607812
Energy: 1.023065406370062
Energy: 1.3784950666652822
Energy: 1.0230637534665787
Energy: 1.3784950666647102
Energy: 1.0230654063694897
Energy: 1.3784950666647102
Energy: 1.0254856064889855
Energy: 1.3692314983031453
Energy: 1.0254856064889855
Energy: 1.3692314983025733
Energy: 1.0254856064889855
Energy: 1.3692314983025733
Energy: 1.083060913732599
Energy: 1.0845564051472434
Energy: 1.083060913732027
Energy: 1.0845564051472434
Energy: 1.083060913732599
Energy: 1.0845564051472434
Energy: 1.1431445510821336
Energy: 1.0932540396993013
Energy: 1.1432112331464501
Energy: 1.0932540396993013
Energy: 1.1431445510827056
Energy: 1.0932540396993013
Energy: 0.99643262375891
Energy: 1.2050763911308613
Energy: 0.99643262375891
Energy: 1.2050763911320055
Energy: 0.99643262375891
Energy: 1.2050763911314335
Energy: 1.0530033260848106
Energy: 1.344545567996523
Energy: 1.0530033260848106
Energy: 1.344545567996523
Energy: 1.0530033260848106
Energy: 1.344545567996523
Energy: 1.262449509499538
Energy: 0.9311480917683456
Energy: 1.262449509499538
Energy: 0.9311480917683456
Energy: 1.262449509499538
Energy: 0.9311480917683456
Energy: 1.0444078840713875
Energy: 1.2203053859384654
Energy: 1.0444078840719595
Energy: 1.2203053859384654
Energy: 1.0444078840713875
Energy: 1.2203053859384654
Energy: 1.0937066213886166
Energy: 1.1327294129949446
Energy: 1.0937066213886166
Energy: 1.1327294129949446
Energy: 1.0937066213886166
Energy: 1.1327294129949446
Energy: 1.0258002710511
Energy: 1.1939719773769524
Energy: 1.0257877417799564
Energy: 1.1939719773769524
Energy: 1.0258002710511
Energy: 1.1939719773763804

minimum gb energy = 0.9311480917683456 eV
minimum distance =  2.21663403531752 Angstroms
sigma value = 33


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

Energy: 1.161937916283365
Energy: 1.0513356394112083
Energy: 1.161937916283365
Energy: 1.0513356394115734
Energy: 1.161937916283365
Energy: 1.0513356394115734
Energy: 1.156779283587966
Energy: 1.002509214337876
Energy: 1.156779283587966
Energy: 1.002509214337876
Energy: 1.156779283587966
Energy: 1.002509214338314
Energy: 1.0701586200292943
Energy: 1.1947999069764603
Energy: 1.0701586200292943
Energy: 1.1947999069768254
Energy: 1.0701586200292943
Energy: 1.1947999069756574
Energy: 1.0599513396080902
Energy: 1.0308238473401632
Energy: 1.059951339608528
Energy: 1.0308238473401632
Energy: 1.0599513396080902
Energy: 1.0308238473401632
Energy: 1.0668450882419522
Energy: 1.133495067269436
Energy: 1.066845088242317
Energy: 1.133495067268195
Energy: 1.066845088241149
Energy: 1.1334950672742539
Energy: 1.453754863251736
Energy: 1.060443423179345
Energy: 1.4537548632509332
Energy: 1.060443423179345
Energy: 1.4537548632509332
Energy: 1.060443423179345
Energy: 1.0396617473297076
Energy: 1.1385869941240325
Energy: 1.0396617473293426
Energy: 1.1385869941236677
Energy: 1.0396617473293426
Energy: 1.1385869941240325
Energy: 1.1011402919171396
Energy: 1.0953115546420669
Energy: 1.1011402919167015
Energy: 1.095311554641702
Energy: 1.1011402919171396
Energy: 1.095311554641702
Energy: 1.2126654349687465
Energy: 1.091455076177282
Energy: 1.2126654349683086
Energy: 1.091455076177282
Energy: 1.2126654349679435
Energy: 1.091455076176917
Energy: 1.525687028599886
Energy: 1.0354218566051958
Energy: 1.525687028599886
Energy: 1.0354218566047577
Energy: 1.5256870285995212
Energy: 1.0354218566047577
Energy: 1.1000724214112672
Energy: 1.0964862458483504
Energy: 1.1000724214112672
Energy: 1.0964862458487157
Energy: 1.1000724214112672
Energy: 1.0964862458487157
Energy: 1.7872035604530747
Energy: 1.031463183344827
Energy: 1.7872035604530747
Energy: 1.031463183344827
Energy: 1.7872035604534395
Energy: 1.031463183344827
Energy: 1.0915439893568877
Energy: 1.2151176817905067
Energy: 1.0915439893568877
Energy: 1.2151176817924776
Energy: 1.0915439893568877
Energy: 1.2151176817913096
Energy: 1.123974079819307
Energy: 1.100171647727543
Energy: 1.123974079819307
Energy: 1.100171647727543
Energy: 1.1239740798189422
Energy: 1.100171647727543
Energy: 1.1066906241058525
Energy: 1.0361772192960224
Energy: 1.1066906241058525
Energy: 1.0361772192960224
Energy: 1.1066906241058525
Energy: 1.0361772192960224
Energy: 1.0486769591478389
Energy: 1.455293632823704
Energy: 1.0486769591478389
Energy: 1.4552936328229011
Energy: 1.0486769591478389
Energy: 1.455293632823704
Energy: 1.1381919708747295
Energy: 1.0137994534311194
Energy: 1.1381919708755324
Energy: 1.0137994534311194
Energy: 1.1381919708755324
Energy: 1.0137994534315575
Energy: 1.0228292147704923
Energy: 1.0637231750894134
Energy: 1.0228292147709301
Energy: 1.0637231750894134
Energy: 1.0228292147704923
Energy: 1.0637231750890486
Energy: 1.201223957379668
Energy: 1.0683428858237634
Energy: 1.2012239573792303
Energy: 1.0683428858237634
Energy: 1.201223957381274
Energy: 1.0683428858237634
Energy: 1.124548042764882
Energy: 1.0743171338201831
Energy: 1.124548042762838
Energy: 1.0743171338197455
Energy: 1.1245480427624728
Energy: 1.0743171338201831
Energy: 1.0152810666992698
Energy: 1.1167163500050479
Energy: 1.0152810666992698
Energy: 1.1167163500050479
Energy: 1.0152810666992698
Energy: 1.1167163500050479
Energy: 0.9952305836795136
Energy: 1.1626311266442138
Energy: 0.9952305836795136
Energy: 1.1626311266442138
Energy: 0.9952305836795136
Energy: 1.1626311266438487
Energy: 1.1072433283463687
Energy: 0.9841443931446358
Energy: 1.1072433283463687
Energy: 0.9841443931446358
Energy: 1.1072433283463687
Energy: 0.9841443931446358
Energy: 1.0125579451255373
Energy: 1.1185244106055232
Energy: 1.0125579451255373
Energy: 1.118524410605158
Energy: 1.0125579451255373
Energy: 1.118524410605158
Energy: 1.088201525714427
Energy: 1.0136907289770563
Energy: 1.088201525714427
Energy: 1.0136907289770563
Energy: 1.088201525714427
Energy: 1.0136907289770563
Energy: 1.0534313509217161
Energy: 1.099980925579568
Energy: 1.0534313509217161
Energy: 1.0999809255787651
Energy: 1.0534313509212783
Energy: 1.099980925579933
Energy: 1.1573804674386794
Energy: 1.0450966148511391
Energy: 1.1573804674390444
Energy: 1.0450966148507743
Energy: 1.1573804674390444
Energy: 1.0450966148511391
Energy: 1.116501812971546
Energy: 1.0138464013495765
Energy: 1.116501812971546
Energy: 1.0138464013495765
Energy: 1.116501812971546
Energy: 1.0138464013495765
Energy: 1.093015304956787
Energy: 1.2153228838949033
Energy: 1.093015304956787
Energy: 1.2153228838953414
Energy: 1.093015304956787
Energy: 1.2153228838949033
Energy: 1.0296398955578239
Energy: 1.519260740076984
Energy: 1.0296398955573858
Energy: 1.519260740077787
Energy: 1.0296398955570207
Energy: 1.519260740077787
Energy: 1.058609015114073
Energy: 1.0168548941472064
Energy: 1.058609015114073
Energy: 1.0168548941472064
Energy: 1.058609015114073
Energy: 1.0168548941472064
Energy: 1.0128858177868627
Energy: 1.0747886067449226
Energy: 1.0128858177868627
Energy: 1.0747886108498916
Energy: 1.0128858177873008
Energy: 1.0747886049991762
Energy: 1.1264217249888724
Energy: 1.0494814313201768
Energy: 1.1264217249877044
Energy: 1.0494814313201768
Energy: 1.1264217249880695
Energy: 1.0494814313206147
Energy: 1.1049577895010168
Energy: 1.1143882816170936
Energy: 1.1049577895010168
Energy: 1.1143882816170936
Energy: 1.1049577895010168
Energy: 1.1143882816166555
Energy: 1.104740251474611
Energy: 1.1141934364219535
Energy: 1.1047402514742457
Energy: 1.1141934364215156
Energy: 1.104740251474611
Energy: 1.1141934364219535
Energy: 1.126114677181183
Energy: 1.0494300438958677
Energy: 1.126114677208046
Energy: 1.0494300438958677
Energy: 1.1261146771840296
Energy: 1.0494300438958677
Energy: 1.0128271051090787
Energy: 1.074079333895879
Energy: 1.0128271051086408
Energy: 1.0740793339171946
Energy: 1.0128271051086408
Energy: 1.0740793338987258
Energy: 1.058609672519133
Energy: 1.016903687526553
Energy: 1.0586096725187681
Energy: 1.016903687526553
Energy: 1.058609672519133
Energy: 1.016903687526991
Energy: 1.0296284118235226
Energy: 1.5190171487259176
Energy: 1.0296284118235226
Energy: 1.5190171487259176
Energy: 1.0296284118238874
Energy: 1.5190171487259176
Energy: 1.0929874294748956
Energy: 1.2150221223951478
Energy: 1.0929874294748956
Energy: 1.2150221223959508
Energy: 1.0929874294748956
Energy: 1.2150221223959508
Energy: 1.1162476024533956
Energy: 1.0143874902912986
Energy: 1.1162476024538337
Energy: 1.0143874902917367
Energy: 1.1162476024538337
Energy: 1.0143874902917367
Energy: 1.1575776937056195
Energy: 1.044959240242726
Energy: 1.1575776937059843
Energy: 1.044959240242726
Energy: 1.1575776937056195
Energy: 1.044959240242726
Energy: 1.053618102205665
Energy: 1.1004313884859467
Energy: 1.053618102204862
Energy: 1.1004313884859467
Energy: 1.0536181022053002
Energy: 1.1004313884859467
Energy: 1.0869347374796892
Energy: 1.0136383088306498
Energy: 1.0869347374796892
Energy: 1.0136383088306498
Energy: 1.0869347374796892
Energy: 1.0136383088310879
Energy: 1.0125096257013213
Energy: 1.1174985621971785
Energy: 1.0125096257008834
Energy: 1.1174985621959375
Energy: 1.0125096257013213
Energy: 1.1174985621963756
Energy: 1.1072669380971112
Energy: 0.9843606632572383
Energy: 1.1072669380974762
Energy: 0.9843606632580412
Energy: 1.1072669380963083
Energy: 0.9843606632576762
Energy: 0.9952184673904925
Energy: 1.1627061002948607
Energy: 0.9952184673900544
Energy: 1.1627061002944226
Energy: 0.9952184673900544
Energy: 1.1627061002948607

minimum gb energy = 0.9841443931446358 eV
minimum distance =  2.30205888833818 Angstroms
sigma value = 67


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

Energy: 1.2357646597543717
Energy: 1.1645770275689917
Energy: 1.2357646597543717
Energy: 1.1645770275689917
Energy: 1.2357646597543717
Energy: 1.1645770275689917
Energy: 1.1756389006889572
Energy: 1.0347040621280124
Energy: 1.1756389006889572
Energy: 1.0347040621280124
Energy: 1.1756389006889572
Energy: 1.0347040621280124
Energy: 1.107182028632683
Energy: 1.3152756750719163
Energy: 1.107182028632683
Energy: 1.3152756750719163
Energy: 1.107182028632683
Energy: 1.3152756750719163
Energy: 1.1750243762482022
Energy: 1.034557705005241
Energy: 1.1750243762482022
Energy: 1.034557705005241
Energy: 1.1750243762508854
Energy: 1.034557705005241
Energy: 1.2357646597543717
Energy: 1.1645770275689917
Energy: 1.2357646597543717
Energy: 1.1645770275689917
Energy: 1.2357646597543717
Energy: 1.1645770275689917
Energy: 1.1756389006889572
Energy: 1.0347040621280124
Energy: 1.1756389006889572
Energy: 1.0347040621280124
Energy: 1.1756389006889572
Energy: 1.0347040621280124
Energy: 1.107182028632683
Energy: 1.3152756750692332
Energy: 1.107182028632683
Energy: 1.3152756750719163
Energy: 1.107182028632683
Energy: 1.3152756750719163

minimum gb energy = 1.034557705005241 eV
minimum distance =  2.31397912401896 Angstroms
sigma value = 3


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

Energy: 1.4788183272000555
Energy: 1.3070745555156842
Energy: 1.4788183272000555
Energy: 1.3070745555156842
Energy: 1.4788183272000555
Energy: 1.3070745555156842
Energy: 1.3068567960949047
Energy: 1.206645899684517
Energy: 1.3068567960949047
Energy: 1.2066458996881682
Energy: 1.3068567960949047
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Energy: 1.3051649974371764
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Energy: 1.3463869393987709
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Energy: 1.2472680200208675
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Energy: 1.2046630675995087
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Energy: 1.2493062353545448
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Energy: 1.2493062353545448
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Energy: 1.2848721448593114
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Energy: 1.284872144841054
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Energy: 1.2065433494202455
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Energy: 1.206543349423897
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Energy: 1.308099448706378
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Energy: 1.2044630793386324
Energy: 1.3080994487100295
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Energy: 1.3420180460386204
Energy: 1.2636255440202881
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Energy: 1.2636255440202881
Energy: 1.3420180460386204
Energy: 1.2636255440202881
Energy: 1.329170208049488
Energy: 1.2422081523213448
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Energy: 1.2011896546474838
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Energy: 1.315488653304397
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Energy: 1.2184025528692184
Energy: 1.315488653304397
Energy: 1.2184025528692184
Energy: 1.375783869935694
Energy: 1.3230442306459982
Energy: 1.375783869935694
Energy: 1.3230442306459982
Energy: 1.375783869935694
Energy: 1.3230442306459982
Energy: 1.246642988880804
Energy: 1.284341812458033
Energy: 1.2466429888844555
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Energy: 1.2466429888844555
Energy: 1.2843418124543815
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Energy: 1.2869941363991777
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Energy: 1.2869941363991777
Energy: 1.374518194493647
Energy: 1.2869941363991777
Energy: 1.2358678429565089
Energy: 1.3907992065051535
Energy: 1.2358678429565089
Energy: 1.3907992065051535
Energy: 1.2358678429565089
Energy: 1.3907992065051535
Energy: 1.3650305390013076
Energy: 1.3048624069467427
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Energy: 1.3048624069467427
Energy: 1.1758908169675548
Energy: 1.364483051267092
Energy: 1.1758908169675548
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Energy: 1.1758908169675548
Energy: 1.364483051267092
Energy: 1.3626311296841256
Energy: 1.287376207984218
Energy: 1.3626311296841256
Energy: 1.287376207984218
Energy: 1.3626311296731712
Energy: 1.287376207984218
Energy: 1.2497406990314257
Energy: 1.4333612869947414
Energy: 1.2497406990314257
Energy: 1.4333612869947414
Energy: 1.2497406990314257
Energy: 1.4333612869947414
Energy: 1.4384765640790707
Energy: 1.224217082762344
Energy: 1.4384765640790707
Energy: 1.2242170827586925
Energy: 1.4384765640790707
Energy: 1.224217082762344
Energy: 1.1936497580506507
Energy: 1.3480973326278636
Energy: 1.1936497580469994
Energy: 1.3480973326242123
Energy: 1.1936497580506507
Energy: 1.3480973326242123
Energy: 1.3702778894115513
Energy: 1.2009514826437788
Energy: 1.3702778894078995
Energy: 1.2009514826437788
Energy: 1.3702778894078995
Energy: 1.2009514826437788
Energy: 1.3001862605551189
Energy: 1.3775980353606367
Energy: 1.3001862605551189
Energy: 1.3775980353606367
Energy: 1.3001862605551189
Energy: 1.3775980353569852
Energy: 1.4145784827245693
Energy: 1.2345281295943842
Energy: 1.4145784827245693
Energy: 1.2345281295943842
Energy: 1.4145784827245693
Energy: 1.2345281295943842
Energy: 1.2483550311254974
Energy: 1.250738422386028
Energy: 1.2483550311254974
Energy: 1.250738422386028
Energy: 1.2483550311254974
Energy: 1.250738422386028
Energy: 1.3681290302802922
Energy: 1.2156842338959284
Energy: 1.3681290302802922
Energy: 1.2156842338959284
Energy: 1.3681290302802922
Energy: 1.2156842338959284
Energy: 1.2498527470799856
Energy: 1.3550389402431053
Energy: 1.2498527470799856
Energy: 1.3550389402431053
Energy: 1.2498527470799856
Energy: 1.3550389402431053
Energy: 1.3269618914881531
Energy: 1.2864468085552696
Energy: 1.3269618914881531
Energy: 1.2864468085552696
Energy: 1.3269618914918049
Energy: 1.2864468085552696
Energy: 1.2981299004114255
Energy: 1.2865364646411177
Energy: 1.2981299004114255
Energy: 1.2865364646411177
Energy: 1.2981299004114255
Energy: 1.2865364646411177

minimum gb energy = 1.1758908169675548 eV
minimum distance =  2.27891558280758 Angstroms
sigma value = 81


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

Energy: 1.5645754882598784
Energy: 1.4101713091012922
Energy: 1.3918660841929837
Energy: 1.4101713091012922
Energy: 1.5645754882598784
Energy: 1.4101713091012922
Energy: 1.3886659130880261
Energy: 1.340936302703997
Energy: 1.388665913087525
Energy: 1.3408787961933795
Energy: 1.3886659130880261
Energy: 1.340936302703997
Energy: 1.4260690970334702
Energy: 1.1700059958916742
Energy: 1.4056448674628232
Energy: 1.1700059958921754
Energy: 1.4260690970334702
Energy: 1.1700059958916742
Energy: 1.272043468037869
Energy: 1.298346419886645
Energy: 1.2720434680383699
Energy: 1.298346419868102
Energy: 1.272043468037869
Energy: 1.29834641988013
Energy: 1.3777907828047187
Energy: 1.1656885778450332
Energy: 1.3777907828047187
Energy: 1.1656885778450332
Energy: 1.3777907828047187
Energy: 1.165688577844532
Energy: 1.3441965725434786
Energy: 1.3263622440789147
Energy: 1.3441965725439797
Energy: 1.2482686305960018
Energy: 1.3441965725439797
Energy: 1.3263622440789147
Energy: 1.2457072007701726
Energy: 1.3265621504034129
Energy: 1.245637699100099
Energy: 1.2479100499524718
Energy: 1.2457072007696715
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Energy: 1.3610694304783764
Energy: 1.5512741959285175
Energy: 1.3610742574579022
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Energy: 1.551274195928016
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Energy: 1.350567448005469
Energy: 1.3093027085716002
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Energy: 1.4479456337540413
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Energy: 1.433725099815279
Energy: 1.3685826358898787
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Energy: 1.3685826358898787
Energy: 1.3267461563271568
Energy: 1.3497765594245297
Energy: 1.326759533740135
Energy: 1.373133031813006
Energy: 1.3267461563271568
Energy: 1.3497765594415236
Energy: 1.3923602923225804
Energy: 1.3756605804658104
Energy: 1.3923602923225804
Energy: 1.3754157398005002
Energy: 1.3923602923225804
Energy: 1.3756605804658104
Energy: 1.344212917646322
Energy: 1.1696659165269792
Energy: 1.344212917646322
Energy: 1.1696659165269792
Energy: 1.344212917646322
Energy: 1.1696659165269792
Energy: 1.3957400655218062
Energy: 1.2631710705705237
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Energy: 1.2631710705705237
Energy: 1.395740065521305
Energy: 1.2631710705705237
Energy: 1.3608293556571276
Energy: 1.1621332899003138
Energy: 1.3608293556571276
Energy: 1.1621332899003138
Energy: 1.3608293556571276
Energy: 1.1621332899003138
Energy: 1.3793534740390443
Energy: 1.2487072112951922
Energy: 1.379353474038543
Energy: 1.327713904132966
Energy: 1.379353474038543
Energy: 1.2487072112951922
Energy: 1.303985600305475
Energy: 1.5189165010596968
Energy: 1.3023317850384288
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Energy: 1.303985600305475
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Energy: 1.1761991859948415
Energy: 1.412948876701898
Energy: 1.1761991859948415
Energy: 1.354642586923561
Energy: 1.1761991859948415
Energy: 1.412948876701397
Energy: 1.2917262102707234
Energy: 1.4828871578548062
Energy: 1.2917262102702223
Energy: 1.4828871578548062
Energy: 1.2917262102682177
Energy: 1.4828871578548062
Energy: 1.1650519735794358
Energy: 1.3758652739212034
Energy: 1.1650519735794358
Energy: 1.3758652739217045
Energy: 1.1650519735794358
Energy: 1.3758652739212034
Energy: 1.4032935650736609
Energy: 1.372744658791074
Energy: 1.2461695556598886
Energy: 1.3727446587915753
Energy: 1.403293565074162
Energy: 1.372744658791074
Energy: 1.403173198590681
Energy: 1.1458142241074112
Energy: 1.2463879970805691
Energy: 1.1458142241074112
Energy: 1.403173198590681
Energy: 1.1458142241074112
Energy: 1.4066927032177596
Energy: 1.3719164914704374
Energy: 1.4066927032177596
Energy: 1.3719106271422223
Energy: 1.4066927032177596
Energy: 1.3719164914704374
Energy: 1.3412132170266873
Energy: 1.2992675638978985
Energy: 1.3412132170411752
Energy: 1.2992675636554736
Energy: 1.341213217040173
Energy: 1.2992675639465112
Energy: 1.4013471350005668
Energy: 1.6813747137764088
Energy: 1.4013471350005668
Energy: 1.6813747137764088
Energy: 1.4013471350000657
Energy: 1.6813747137769102
Energy: 1.302248417505356
Energy: 1.275658024540253
Energy: 1.302248417505356
Energy: 1.275658024540253
Energy: 1.302248417505356
Energy: 1.275658024540253
Energy: 1.4234927302208396
Energy: 1.326609006539887
Energy: 1.4238982176436494
Energy: 1.2480655391885966
Energy: 1.4234927302208396
Energy: 1.326609006539887
Energy: 1.3457163851295477
Energy: 1.3907489059689573
Energy: 1.3440676589657772
Energy: 1.3907489059689573
Energy: 1.3457163851295477
Energy: 1.3907489059689573
Energy: 1.16955683820827
Energy: 1.2615342625450074
Energy: 1.16955683820827
Energy: 1.2616177981993546
Energy: 1.16955683820827
Energy: 1.2615342625450074
Energy: 1.240898301874466
Energy: 1.3966695450536217
Energy: 1.2408983018729622
Energy: 1.3966695450531206
Energy: 1.240898301875468
Energy: 1.3966695450536217
Energy: 1.2848229818531154
Energy: 1.3719841165224549
Energy: 1.2848229818531154
Energy: 1.3719841165224549
Energy: 1.2848229818531154
Energy: 1.3719841165224549
Energy: 1.3272515050337037
Energy: 1.3569530031549093
Energy: 1.3272517387598368
Energy: 1.3570673976916732
Energy: 1.3272515050337037
Energy: 1.3569530031554105
Energy: 1.332976228722299
Energy: 1.2435722403151874
Energy: 1.3329758583513647
Energy: 1.243773555907257
Energy: 1.332976228722299
Energy: 1.2435722403151874
Energy: 1.3918542540806842
Energy: 1.5854771774979612
Energy: 1.3884530717525405
Energy: 1.5854771774984624
Energy: 1.3918542540806842
Energy: 1.5854771774989638
Energy: 1.5647086666575967
Energy: 1.307458098800046
Energy: 1.5647086666570955
Energy: 1.3074580988200923
Energy: 1.5647086666570955
Energy: 1.3074580988576794
Energy: 1.3457936876090475
Energy: 1.1702902630068897
Energy: 1.3457936876090475
Energy: 1.1702902630088943
Energy: 1.3457936876090475
Energy: 1.1702902630088943
Energy: 1.369373476984229
Energy: 1.247755787319425
Energy: 1.369373476984229
Energy: 1.3261342835597167
Energy: 1.369373476984229
Energy: 1.247755787319425

minimum gb energy = 1.1458142241074112 eV
minimum distance =  2.33321949875504 Angstroms
sigma value = 43


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

Energy: 1.543810891036126
Energy: 1.195728934970099
Energy: 1.543810891036126
Energy: 1.195728934970099
Energy: 1.543810891036126
Energy: 1.195728934970099
Energy: 1.3306638908377595
Energy: 1.2069036200845444
Energy: 1.3306638908377595
Energy: 1.2069036200851604
Energy: 1.3306638908377595
Energy: 1.2069036200851604
Energy: 1.402617084586877
Energy: 1.4514632503403397
Energy: 1.4026170845862613
Energy: 1.4514632503403397
Energy: 1.4026170845862613
Energy: 1.4514632503403397
Energy: 1.2343998063704895
Energy: 1.2734472054725485
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Energy: 1.2734472054725485
Energy: 1.2343998063704895
Energy: 1.2734472054725485
Energy: 1.3273438766984127
Energy: 1.3386094457730346
Energy: 1.3273438766984127
Energy: 1.3386094457730346
Energy: 1.3273438766984127
Energy: 1.3386094457730346
Energy: 1.267307200195106
Energy: 1.2936561049442379
Energy: 1.267307200195106
Energy: 1.2936561049448536
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Energy: 1.2936561049448536
Energy: 1.3941184948435483
Energy: 1.386842986612709
Energy: 1.3941184948435483
Energy: 1.386842986612709
Energy: 1.3941184948435483
Energy: 1.386842986612709
Energy: 1.2631933745644497
Energy: 1.3280674691831873
Energy: 1.2631933745644497
Energy: 1.3280674691831873
Energy: 1.2631933745644497
Energy: 1.3280674691831873
Energy: 1.3758464486620805
Energy: 1.2038088653047514
Energy: 1.3758464486626962
Energy: 1.2038088653047514
Energy: 1.3758464486620805
Energy: 1.2038088653047514
Energy: 1.2615993558427403
Energy: 1.3002575520141482
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Energy: 1.3002575520141482
Energy: 1.2615993558427403
Energy: 1.3002575520141482
Energy: 1.492362688003767
Energy: 1.3115647037323879
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Energy: 1.3115647037323879
Energy: 1.492362688003767
Energy: 1.3115647037323879
Energy: 1.263107096694764
Energy: 1.2505409956500197
Energy: 1.263107096694764
Energy: 1.2505409956500197
Energy: 1.2631070966941482
Energy: 1.2505409956500197
Energy: 1.399977189251017
Energy: 1.2934635951561066
Energy: 1.399977189251017
Energy: 1.2934635951561066
Energy: 1.399977189251017
Energy: 1.2934635951561066
Energy: 1.1688594877767768
Energy: 1.4495831046954972
Energy: 1.1688594877767768
Energy: 1.4495831046954972
Energy: 1.1688594877761613
Energy: 1.4495831046954972
Energy: 1.2424745788276872
Energy: 1.339613844028352
Energy: 1.2424745788276872
Energy: 1.339613844028352
Energy: 1.2424745788276872
Energy: 1.339613844028352
Energy: 1.3014805267542984
Energy: 1.2755822476430947
Energy: 1.3014805267542984
Energy: 1.2755822476430947
Energy: 1.3014805267542984
Energy: 1.275582247642479
Energy: 1.4220850185574223
Energy: 1.2056400139440964
Energy: 1.4220850185574223
Energy: 1.2056400139440964
Energy: 1.4220850185574223
Energy: 1.2056400139440964
Energy: 1.374628513562741
Energy: 1.2755632085739472
Energy: 1.374628513562741
Energy: 1.2755632085739472
Energy: 1.374628513562741
Energy: 1.2755632085739472
Energy: 1.3600135852752016
Energy: 1.257078575600927
Energy: 1.360013585274586
Energy: 1.257078575600927
Energy: 1.3600135852752016
Energy: 1.257078575600927
Energy: 1.3584812090945229
Energy: 1.222032693098747
Energy: 1.3584812090932918
Energy: 1.222032693098747
Energy: 1.3584812090945229
Energy: 1.222032693098747
Energy: 1.3009381615245874
Energy: 1.298595590470303
Energy: 1.3009381615245874
Energy: 1.298595590470303
Energy: 1.3009381615245874
Energy: 1.298595590470303
Energy: 1.370542292346572
Energy: 1.3364622975928788
Energy: 1.370542292346572
Energy: 1.3364622975922633
Energy: 1.370542292345956
Energy: 1.3364622975928788
Energy: 1.1696213619523088
Energy: 1.3595022016461928
Energy: 1.1696213619528966
Energy: 1.3595022016461928
Energy: 1.1696213619523088
Energy: 1.3595022016461928
Energy: 1.397758749576302
Energy: 1.2939883138208301
Energy: 1.397758749576302
Energy: 1.2939883138214177
Energy: 1.3977587495756865
Energy: 1.2939883138214177
Energy: 1.2631062506358792
Energy: 1.2502150394186893
Energy: 1.2631062506358792
Energy: 1.2502150394186893
Energy: 1.2631062506358792
Energy: 1.2502150394186893
Energy: 1.3840062129323658
Energy: 1.3064190914378566
Energy: 1.3840062129317503
Energy: 1.3064190914378566
Energy: 1.3840062129323658
Energy: 1.3064190914378566
Energy: 1.2989760154944745
Energy: 1.2071133344211924
Energy: 1.2989760154944745
Energy: 1.207113334421808
Energy: 1.2989760154944745
Energy: 1.2071133344211924
Energy: 1.3758821007807285
Energy: 1.1932628478474046
Energy: 1.3758821007807285
Energy: 1.1932628478474046
Energy: 1.3758821007807285
Energy: 1.1932628478474046
Energy: 1.2634877598300456
Energy: 1.3256320506812325
Energy: 1.2634877598300456
Energy: 1.3256320506812325
Energy: 1.2634877598300456
Energy: 1.3256320506812325
Energy: 1.323345245709876
Energy: 1.3551650946840599
Energy: 1.323345245709876
Energy: 1.3551650946834441
Energy: 1.323345245709876
Energy: 1.3551650946834441
Energy: 1.2680671576822382
Energy: 1.2938882018189106
Energy: 1.2680671576822382
Energy: 1.2938882018189106
Energy: 1.268067157681623
Energy: 1.2938882018189106

minimum gb energy = 1.1688594877761613 eV
minimum distance =  2.29613804031884 Angstroms
sigma value = 57


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

Energy: 1.4303595317392466
Energy: 1.2890152431003845
Energy: 1.3169598604930934
Energy: 1.2890152431003845
Energy: 1.4303595317384497
Energy: 1.2890152431003845
Energy: 1.3954159759569909
Energy: 1.241398219240195
Energy: 1.3954159759569909
Energy: 1.241398219240195
Energy: 1.3954159759569909
Energy: 1.241398219240956
Energy: 1.3522987104268482
Energy: 1.4170259800174099
Energy: 1.3392305500250703
Energy: 1.4170259800174099
Energy: 1.352298680395315
Energy: 1.4170259800174099
Energy: 1.287992527402298
Energy: 1.38581927674205
Energy: 1.287992527402298
Energy: 1.38581927674205
Energy: 1.287992527402298
Energy: 1.38581927674205
Energy: 1.2990727270254296
Energy: 1.3340757397376608
Energy: 1.2990727270254296
Energy: 1.3340757397376608
Energy: 1.2990727270254296
Energy: 1.3340757397376608
Energy: 1.3898079796436709
Energy: 1.2415871614082288
Energy: 1.3898079796436709
Energy: 1.2415871614082288
Energy: 1.3898079796436709
Energy: 1.241587161409026
Energy: 1.3612240890724367
Energy: 1.5142559670495526
Energy: 1.361224089073234
Energy: 1.5142559670495526
Energy: 1.3612240890724367
Energy: 1.5142559670495526
Energy: 1.3312549007786394
Energy: 1.2445992279873404
Energy: 1.3312549007786394
Energy: 1.2445992279873404
Energy: 1.3312549007786394
Energy: 1.2445992279873404
Energy: 1.3461964660090442
Energy: 1.2484267061459506
Energy: 1.3461964660090442
Energy: 1.2484267061467478
Energy: 1.3461964660090442
Energy: 1.2484267061459506
Energy: 1.2213052528482844
Energy: 1.272387518697455
Energy: 1.221689341076387
Energy: 1.272387518697455
Energy: 1.2213052528482844
Energy: 1.272387518697455
Energy: 1.2889800051474536
Energy: 1.3910370361832725
Energy: 1.2889800051474536
Energy: 1.3910370361832725
Energy: 1.2889800051482507
Energy: 1.3910370361832725
Energy: 1.3081392919343184
Energy: 1.330676656770205
Energy: 1.3081392919343184
Energy: 1.330676656770205
Energy: 1.3081392919343184
Energy: 1.330676656770205
Energy: 1.41164753207195
Energy: 1.2487305491807215
Energy: 1.41164753207195
Energy: 1.2487305491807215
Energy: 1.41164753207195
Energy: 1.2487305491807215
Energy: 1.3588938799475012
Energy: 1.2469488763700027
Energy: 1.233377616108225
Energy: 1.2469488763700027
Energy: 1.3588938799475012
Energy: 1.2469488763700027
Energy: 1.3597122986830767
Energy: 1.2452874398909752
Energy: 1.233254179093829
Energy: 1.2452874398909752
Energy: 1.3597122986838737
Energy: 1.2452874398909752
Energy: 1.3416935458664772
Energy: 1.2539049140157705
Energy: 1.3416935458664772
Energy: 1.2539049140157705
Energy: 1.3416935458664772
Energy: 1.2539049140157705
Energy: 1.2165917285422503
Energy: 1.2670590712777081
Energy: 1.2166434666546169
Energy: 1.2670590712777081
Energy: 1.2165917285414534
Energy: 1.2670590712777081
Energy: 1.2855276047105322
Energy: 1.139643924233138
Energy: 1.2855276047105322
Energy: 1.139643924233138
Energy: 1.2855276047105322
Energy: 1.139643924233138
Energy: 1.21544461231405
Energy: 1.2671120961694753
Energy: 1.21544461231405
Energy: 1.2671120961694753
Energy: 1.21544461231405
Energy: 1.2671120961694753
Energy: 1.238266134185482
Energy: 1.2540094177775545
Energy: 1.238266134185482
Energy: 1.2540094177775545
Energy: 1.238266134185482
Energy: 1.2540094177775545
Energy: 1.23321031677979
Energy: 1.2402128151109455
Energy: 1.23321031677979
Energy: 1.2402128151109455
Energy: 1.23321031677979
Energy: 1.2402128151109455
Energy: 1.2370042156644343
Energy: 1.2898559662684723
Energy: 1.237004215690737
Energy: 1.2898559662684723
Energy: 1.2370042157034535
Energy: 1.2898559662684723
Energy: 1.4463082354521295
Energy: 1.24756062862618
Energy: 1.448109165125354
Energy: 1.24756062862618
Energy: 1.4463082354529266
Energy: 1.24756062862618
Energy: 1.298100044791002
Energy: 1.3614889646786386
Energy: 1.2981847725611286
Energy: 1.3614889624367128
Energy: 1.2981000447917992
Energy: 1.3614889643161248

minimum gb energy = 1.139643924233138 eV
minimum distance =  2.19637101573353 Angstroms
sigma value = 17


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

Energy: 1.3061243068267105
Energy: 1.1698471258867662
Energy: 1.3061243068267105
Energy: 1.1698471258867662
Energy: 1.3061243068267105
Energy: 1.1698471258867662
Energy: 1.1283947927866858
Energy: 1.123377973045702
Energy: 1.1283947927866858
Energy: 1.1233779730445752
Energy: 1.1283947927866858
Energy: 1.123377973045702
Energy: 1.2718061109002672
Energy: 1.3252259520937182
Energy: 1.2718061109013945
Energy: 1.3252259520937182
Energy: 1.2718061109013945
Energy: 1.3252259520937182
Energy: 1.0588407013581516
Energy: 1.2951862114896566
Energy: 1.0588407013581516
Energy: 1.2951862114896566
Energy: 1.0588407013581516
Energy: 1.2951862114896566
Energy: 1.2780064678394825
Energy: 1.2412345389821149
Energy: 1.2780064678394825
Energy: 1.2412345389821149
Energy: 1.2780064678394825
Energy: 1.2412345389821149
Energy: 1.1887419386471008
Energy: 1.276714598888255
Energy: 1.1887419386471008
Energy: 1.276714598888255
Energy: 1.1887419386471008
Energy: 1.276714598888255
Energy: 1.2181550260281755
Energy: 1.116692964439406
Energy: 1.2181550260281755
Energy: 1.116692964439406
Energy: 1.2181550260293028
Energy: 1.116692964439406
Energy: 1.0582223720111916
Energy: 1.2822253408694477
Energy: 1.0582223720111916
Energy: 1.2822253408694477
Energy: 1.0582223720100643
Energy: 1.2822253408694477
Energy: 1.2458203477488141
Energy: 1.1230854123516643
Energy: 1.2458203477488141
Energy: 1.123085412350537
Energy: 1.2458203477488141
Energy: 1.123085412350537
Energy: 1.2005433617046448
Energy: 1.1283700131975498
Energy: 1.2005433617046448
Energy: 1.1283700131975498
Energy: 1.2005433617046448
Energy: 1.1283700131975498
Energy: 1.1822513849173852
Energy: 1.2689994208364228
Energy: 1.1822513849173852
Energy: 1.2689994208364228
Energy: 1.1822513849173852
Energy: 1.2689994208364228
Energy: 1.1916503325783592
Energy: 1.1226341626517344
Energy: 1.1916503325783592
Energy: 1.1226341626517344
Energy: 1.1916503325783592
Energy: 1.1226341626517344
Energy: 1.0601698029600022
Energy: 1.2806426226829561
Energy: 1.0601698029600022
Energy: 1.2806426226829561
Energy: 1.0601698029600022
Energy: 1.2806426226829561
Energy: 1.2004438975671354
Energy: 1.26682604445573
Energy: 1.2004438975671354
Energy: 1.26682604445573
Energy: 1.2004438975671354
Energy: 1.26682604445573
Energy: 1.1917231067726581
Energy: 1.2307493363206947
Energy: 1.1917231067726581
Energy: 1.2307493363206947
Energy: 1.1917231067726581
Energy: 1.2307493363206947
Energy: 1.1897860639198086
Energy: 1.2793217776572146
Energy: 1.1897860639198086
Energy: 1.2793217776572146
Energy: 1.1897860639198086
Energy: 1.2793217776572146
Energy: 1.1979430770835542
Energy: 1.2640527892272566
Energy: 1.1979430770835542
Energy: 1.2640527892272566
Energy: 1.1979430770835542
Energy: 1.2640527892272566

minimum gb energy = 1.0582223720100643 eV
minimum distance =  2.28349307572717 Angstroms
sigma value = 17


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

Energy: 1.1831276955491183
Energy: 1.0578218136203315
Energy: 1.1831276955491183
Energy: 1.057821813619896
Energy: 1.1831276955491183
Energy: 1.057821813619896
Energy: 1.0674929818987882
Energy: 1.030862168587302
Energy: 1.0674929818987882
Energy: 1.0308621685877373
Energy: 1.0674929818992234
Energy: 1.0308621685877373
Energy: 1.1845617704044702
Energy: 1.1286170449109842
Energy: 1.1845617704044702
Energy: 1.1286170449109842
Energy: 1.1845617704044702
Energy: 1.1286170449109842
Energy: 0.9921538365764861
Energy: 1.1408108462757762
Energy: 0.9921538365764861
Energy: 1.140810846275341
Energy: 0.9921538365764861
Energy: 1.1408108462757762
Energy: 1.0658715815314066
Energy: 1.0183628148106305
Energy: 1.0658715815353241
Energy: 1.0183628148106305
Energy: 1.0658715815331476
Energy: 1.0183628148106305
Energy: 1.1264104124289662
Energy: 1.0724693250850827
Energy: 1.126410412428531
Energy: 1.0724693250850827
Energy: 1.1264104124289662
Energy: 1.0724693250850827
Energy: 1.0729562471456366
Energy: 1.0648556139707517
Energy: 1.072956247146072
Energy: 1.0648556139707517
Energy: 1.0729562471456366
Energy: 1.064855613971187
Energy: 1.0872446797181183
Energy: 1.1896025242430783
Energy: 1.0872446797181183
Energy: 1.1896025242430783
Energy: 1.0872446797181183
Energy: 1.1896025242430783
Energy: 1.102390531793862
Energy: 1.1303345047453135
Energy: 1.102390531793862
Energy: 1.1303345047448783
Energy: 1.102390531793862
Energy: 1.1303345047453135
Energy: 1.072961161608744
Energy: 0.9699963750576613
Energy: 1.072961161608744
Energy: 0.9699963750576613
Energy: 1.072961161608744
Energy: 0.9699963750580967
Energy: 0.992066428011225
Energy: 1.1513494605534094
Energy: 0.9920664280107897
Energy: 1.1513494605534094
Energy: 0.992066428011225
Energy: 1.1513494605534094
Energy: 1.1888265685069008
Energy: 1.0509809250336115
Energy: 1.1888265685069008
Energy: 1.0509809250336115
Energy: 1.1888265685069008
Energy: 1.0509809250336115
Energy: 1.0949222915079209
Energy: 1.0498136546392607
Energy: 1.0949222915079209
Energy: 1.0498136546392607
Energy: 1.0949222915079209
Energy: 1.0498136546392607
Energy: 1.078028045285528
Energy: 1.0634841699865722
Energy: 1.078028045285528
Energy: 1.0634841699870077
Energy: 1.078028045285528
Energy: 1.0634841699870077
Energy: 1.1145668012110392
Energy: 1.1605566543471675
Energy: 1.1145668012114744
Energy: 1.1605566543445558
Energy: 1.1145668012110392
Energy: 1.1605566543489088
Energy: 0.9922073508246595
Energy: 1.1135232811338918
Energy: 0.9922073508246595
Energy: 1.1135232811334563
Energy: 0.9922073508246595
Energy: 1.1135232811338918
Energy: 1.0944835367651422
Energy: 1.112696227264186
Energy: 1.0944835367651422
Energy: 1.1126962272637508
Energy: 1.0944835367651422
Energy: 1.1126962272637508
Energy: 1.1320505432043315
Energy: 1.1217401140357948
Energy: 1.132050543203896
Energy: 1.1217401140357948
Energy: 1.1320505432043315
Energy: 1.1217401140357948
Energy: 1.087279152938454
Energy: 1.1131959967272198
Energy: 1.087279152938454
Energy: 1.1131959967272198
Energy: 1.087279152938454
Energy: 1.1131959967280907
Energy: 1.0928257281380522
Energy: 0.9668979274933689
Energy: 1.0928257281376168
Energy: 0.9668979274933689
Energy: 1.0928257281380522
Energy: 0.9668979274938043
Energy: 1.087189991770763
Energy: 1.1127138459004806
Energy: 1.087189991770763
Energy: 1.1127138459009156
Energy: 1.087189991770763
Energy: 1.1127138459004806
Energy: 1.1319281437385378
Energy: 1.122977044087339
Energy: 1.1319281437385378
Energy: 1.1229770440877744
Energy: 1.1319281437385378
Energy: 1.122977044086904
Energy: 1.0945304048391165
Energy: 1.1124251344013345
Energy: 1.0945304048395517
Energy: 1.1124251344008993
Energy: 1.0945304048395517
Energy: 1.1124251344008993
Energy: 0.9926479429261602
Energy: 1.1983127981047
Energy: 0.9926479429261602
Energy: 1.1983127981047
Energy: 0.9926479429261602
Energy: 1.1983127981047
Energy: 1.114672215779112
Energy: 1.1601503813843859
Energy: 1.1146722157786768
Energy: 1.1601503813843859
Energy: 1.1146722157786768
Energy: 1.1601503813843859
Energy: 1.0781826778359889
Energy: 1.0633647451519486
Energy: 1.0781826778359889
Energy: 1.063364745151078
Energy: 1.0781826778359889
Energy: 1.0633647451515131
Energy: 1.0954120336191517
Energy: 1.050065175935249
Energy: 1.0954120336191517
Energy: 1.0500651759348139
Energy: 1.0954120336191517
Energy: 1.050065175935249
Energy: 1.1884924244378448
Energy: 1.0511415224196372
Energy: 1.1884924244378448
Energy: 1.0511415224196372
Energy: 1.1884924244378448
Energy: 1.0511415224196372
Energy: 0.9918148263055411
Energy: 1.1517370856009475
Energy: 0.9918148263051058
Energy: 1.1517370856005122
Energy: 0.9918148263051058
Energy: 1.1517370856005122
Energy: 1.070663817609218
Energy: 0.9702789528679573
Energy: 1.0706638176087826
Energy: 0.9702789528679573
Energy: 1.0706638176087826
Energy: 0.9702789528679573
Energy: 1.1025318268599327
Energy: 1.1304505023669242
Energy: 1.1025318268599327
Energy: 1.1304505023669242
Energy: 1.1025318268599327
Energy: 1.1304505023669242
Energy: 1.0869062000461889
Energy: 1.1894691301614861
Energy: 1.086906200046624
Energy: 1.1894691301614861
Energy: 1.086906200046624
Energy: 1.1894691301619214
Energy: 1.0731002798210558
Energy: 1.0730368432608537
Energy: 1.0731002798210558
Energy: 1.0730368432608537
Energy: 1.0731002798210558
Energy: 1.0730368432604185
Energy: 1.126428444787524
Energy: 1.036192849468685
Energy: 1.1264284447870885
Energy: 1.036192849468685
Energy: 1.126428444787524
Energy: 1.036192849468685
Energy: 1.065798581487271
Energy: 1.0189055837682919
Energy: 1.065798581487706
Energy: 1.018905583768727
Energy: 1.065798581487271
Energy: 1.0189055837682919
Energy: 0.9916955118532197
Energy: 1.1325046331358648
Energy: 0.9916955118536549
Energy: 1.1325046331358648
Energy: 0.9916955118532197
Energy: 1.1325046331358648
Energy: 1.184838389701951
Energy: 1.1283107257986973
Energy: 1.184838389701951
Energy: 1.1283107257986973
Energy: 1.184838389701951
Energy: 1.1283107257986973
Energy: 1.0675752454323768
Energy: 1.0229484548846044
Energy: 1.0675752454319416
Energy: 1.0229484548846044
Energy: 1.0675752454315062
Energy: 1.0229484548846044
Energy: 1.1831276955491183
Energy: 1.0578218136203315
Energy: 1.1831276955495535
Energy: 1.0578218136203315
Energy: 1.1831276955491183
Energy: 1.0578218136203315
Energy: 1.0674929818987882
Energy: 1.0316917971388408
Energy: 1.0674929818987882
Energy: 1.0316917971388408
Energy: 1.0674929818987882
Energy: 1.0316917971388408
Energy: 1.1845617704044702
Energy: 1.1286170449109842
Energy: 1.1845617704044702
Energy: 1.1286170449109842
Energy: 1.1845617704044702
Energy: 1.1286170449109842
Energy: 0.9921538365760508
Energy: 1.1127077873380757
Energy: 0.9921538365760508
Energy: 1.1127077873380757
Energy: 0.9921538365760508
Energy: 1.1127077873380757
Energy: 1.06587158153663
Energy: 1.0183628148110657
Energy: 1.0658715815353241
Energy: 1.0183628148110657
Energy: 1.0658715815344535
Energy: 1.0183628148110657

minimum gb energy = 0.9668979274933689 eV
minimum distance =  2.30283557079573 Angstroms
sigma value = 57


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

Energy: 1.0841585406110372
Energy: 0.9762051322631956
Energy: 1.084158540611746
Energy: 0.9762051322631956
Energy: 1.084158540611746
Energy: 0.9762051322631956
Energy: 1.1019289302352027
Energy: 0.9608633866814519
Energy: 1.1019289302352027
Energy: 0.9608633866814519
Energy: 1.1019289302352027
Energy: 0.9608633866814519
Energy: 1.1084829106428584
Energy: 1.0429586761949063
Energy: 1.1084829106428584
Energy: 1.0429586761956153
Energy: 1.1084829106428584
Energy: 1.0429586761956153
Energy: 1.0255454102362893
Energy: 1.0671650671425357
Energy: 1.025545410236998
Energy: 1.0671650671425357
Energy: 1.0255454102355805
Energy: 1.0671650671425357
Energy: 0.9711889025576333
Energy: 0.9495766949777549
Energy: 0.9711889025569246
Energy: 0.9495766949777549
Energy: 0.9711889025569246
Energy: 0.9495766949777549
Energy: 1.0590034550926812
Energy: 0.9606897465757498
Energy: 1.0590034550926812
Energy: 0.9606897465750408
Energy: 1.0590034550926812
Energy: 0.9606897465757498
Energy: 0.9244226139153979
Energy: 1.0221271245034904
Energy: 0.9244226139161067
Energy: 1.0221271245034904
Energy: 0.924422613914689
Energy: 1.0221271245034904
Energy: 1.2115116562713808
Energy: 1.0040014240855417
Energy: 1.2115116562713808
Energy: 1.0040014240855417
Energy: 1.2115116562713808
Energy: 1.0040014240855417
Energy: 0.9681791394079651
Energy: 0.9631810738903057
Energy: 0.9681791394079651
Energy: 0.9631810738903057
Energy: 0.9681791394079651
Energy: 0.9631810738903057
Energy: 0.9844173301134197
Energy: 0.9851171390243735
Energy: 0.9844173301169633
Energy: 0.9851171390243735
Energy: 0.984417330114837
Energy: 0.9851171390243735
Energy: 0.9128019991107881
Energy: 1.1136021032438062
Energy: 0.912801999107953
Energy: 1.1136021032430976
Energy: 0.9128019991122055
Energy: 1.1136021032438062
Energy: 1.0105099506541935
Energy: 0.9257466730239019
Energy: 1.0105099506549025
Energy: 0.9257466730239019
Energy: 1.0105099506541935
Energy: 0.9257466730246107
Energy: 0.981127078146239
Energy: 1.0497948710267462
Energy: 0.981127078146239
Energy: 1.0497948710260374
Energy: 0.981127078146239
Energy: 1.0497948710267462
Energy: 0.929478624521292
Energy: 1.0093113830027063
Energy: 0.929478624521292
Energy: 1.0093113830027063
Energy: 0.929478624521292
Energy: 1.0093113830027063
Energy: 1.08826055052829
Energy: 0.9781147900835405
Energy: 1.08826055052829
Energy: 0.9781147900835405
Energy: 1.08826055052829
Energy: 0.9781147900835405
Energy: 0.9799896134150562
Energy: 0.9721559841671387
Energy: 0.9799896134157652
Energy: 0.9721559841671387
Energy: 0.9799896134150562
Energy: 0.9721559841671387
Energy: 1.0107299190809178
Energy: 1.1031300584601105
Energy: 1.0107299190809178
Energy: 1.1031300584601105
Energy: 1.0107299190809178
Energy: 1.1031300584601105
Energy: 1.042655153796779
Energy: 1.0695232644249038
Energy: 1.042655153796779
Energy: 1.0695232644256123
Energy: 1.042655153796779
Energy: 1.0695232644256123
Energy: 0.935509239236878
Energy: 1.15380680109424
Energy: 0.935509239236878
Energy: 1.15380680109424
Energy: 0.935509239236878
Energy: 1.15380680109424
Energy: 0.9781758414272338
Energy: 1.0575693351844253
Energy: 0.9781758414272338
Energy: 1.0575693351844253
Energy: 0.9781758414272338
Energy: 1.0575693351844253
Energy: 1.0345719542872531
Energy: 1.0339668509974038
Energy: 1.0345719542872531
Energy: 1.0339668509974038
Energy: 1.0345719542872531
Energy: 1.0339668509974038
Energy: 0.913684376769369
Energy: 1.1594530991263705
Energy: 0.913684376769369
Energy: 1.1594530991263705
Energy: 0.913684376769369
Energy: 1.1594530991270793
Energy: 1.008431344070128
Energy: 1.0082708464886214
Energy: 1.008431344070128
Energy: 1.0082708464886214
Energy: 1.008431344070128
Energy: 1.0082708464893304
Energy: 0.9962847793184432
Energy: 1.1581851746737173
Energy: 0.9962847793184432
Energy: 1.158185174674426
Energy: 0.9962847793191519
Energy: 1.158185174674426
Energy: 0.9965989062867757
Energy: 1.239054074913916
Energy: 0.9965989062867757
Energy: 1.2390540749132073
Energy: 0.9965989062867757
Energy: 1.2390540749132073
Energy: 0.9778630951724424
Energy: 1.0076029013589984
Energy: 0.9778630951724424
Energy: 1.0076029013589984
Energy: 0.9778630951724424
Energy: 1.0076029013589984
Energy: 0.9273329513770102
Energy: 1.1536091856127713
Energy: 0.9273329513770102
Energy: 1.1536091856120625
Energy: 0.9273329513770102
Energy: 1.1536091856120625

minimum gb energy = 0.912801999107953 eV
minimum distance =  2.26554366578522 Angstroms
sigma value = 43


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

Energy: 1.05865756518461
Energy: 0.8778563071581293
Energy: 1.05865756518461
Energy: 0.8778563071581293
Energy: 1.05865756518461
Energy: 0.8778563071581293
Energy: 0.9579740874633357
Energy: 0.8906671324577364
Energy: 0.9579740874633357
Energy: 0.8906671324572201
Energy: 0.9579740874633357
Energy: 0.8906671324577364
Energy: 0.9570293548671909
Energy: 0.866738569462032
Energy: 0.9570293548671909
Energy: 0.866738569462032
Energy: 0.9570293548671909
Energy: 0.866738569462032
Energy: 1.1145748044399266
Energy: 0.9190383870844024
Energy: 1.1145748044399266
Energy: 0.9190383870844024
Energy: 1.1145748044399266
Energy: 0.9190383870844024
Energy: 0.9496339844153148
Energy: 0.847994819303583
Energy: 0.9496339844147983
Energy: 0.847994819303583
Energy: 0.9496339844147983
Energy: 0.847994819303583
Energy: 0.9029708136408472
Energy: 0.8624424923035956
Energy: 0.9029708136408472
Energy: 0.8624424923035956
Energy: 0.9029708136408472
Energy: 0.8624424923035956
Energy: 0.8193700248266134
Energy: 0.8905152543144199
Energy: 0.81937002482713
Energy: 0.8905152543144199
Energy: 0.8193700248276463
Energy: 0.8905152543144199
Energy: 1.1631967239511936
Energy: 0.8348362750060307
Energy: 1.163196723950677
Energy: 0.8348362750060307
Energy: 1.1631967239511936
Energy: 0.8348362750060307
Energy: 0.8634881469425641
Energy: 0.850824685674511
Energy: 0.8634881469425641
Energy: 0.850824685674511
Energy: 0.8634881469425641
Energy: 0.850824685674511
Energy: 0.9614464814478992
Energy: 0.8460644885976577
Energy: 0.9614464814478992
Energy: 0.8460644885976577
Energy: 0.9614464814478992
Energy: 0.8460644885976577
Energy: 1.0392961398248939
Energy: 0.9313144800546084
Energy: 1.0392961398248939
Energy: 0.9313144800540918
Energy: 1.0392961398248939
Energy: 0.9313144800546084
Energy: 0.8177811053880503
Energy: 0.8507438485959535
Energy: 0.8177811053880503
Energy: 0.8507438485954373
Energy: 0.8177811053880503
Energy: 0.8507438485954373
Energy: 0.9600342670892933
Energy: 0.8063892596946974
Energy: 0.9600342670892933
Energy: 0.8063892596941811
Energy: 0.9600342670892933
Energy: 0.8063892596946974
Energy: 1.0366216866393283
Energy: 1.0370094454644891
Energy: 1.0366216866393283
Energy: 1.0370094454650054
Energy: 1.0366216866393283
Energy: 1.0370094454650054
Energy: 0.8460150393995272
Energy: 0.8492232732199532
Energy: 0.8460150393995272
Energy: 0.8492232732199532
Energy: 0.8460150393995272
Energy: 0.8492232732199532
Energy: 0.8999907769125909
Energy: 0.8971815116374946
Energy: 0.8999907769125909
Energy: 0.8971815116374946
Energy: 0.8999907769125909
Energy: 0.8971815116374946
Energy: 0.958878523883642
Energy: 1.0282549002207861
Energy: 0.958878523883642
Energy: 1.0282549002213026
Energy: 0.958878523883642
Energy: 1.0282549002207861
Energy: 0.8717133668405138
Energy: 0.8496060304021829
Energy: 0.8717133668405138
Energy: 0.8496060304021829
Energy: 0.8717133668405138
Energy: 0.8496060304021829
Energy: 0.8197265823160916
Energy: 0.9475945238519335
Energy: 0.8197265823160916
Energy: 0.9475945238514171
Energy: 0.8197265823160916
Energy: 0.9475945238519335
Energy: 0.8972799032772781
Energy: 0.9336890653400374
Energy: 0.8972799032772781
Energy: 0.9336890653395209
Energy: 0.8972799032772781
Energy: 0.9336890653400374
Energy: 0.9427269111446286
Energy: 0.8658437969497907
Energy: 0.9427269111446286
Energy: 0.865843796950307
Energy: 0.9427269111446286
Energy: 0.865843796950307
Energy: 0.8861743021236896
Energy: 0.9490417241700753
Energy: 0.886174302124206
Energy: 0.9490417241700753
Energy: 0.886174302124206
Energy: 0.9490417241700753
Energy: 0.8976662149212153
Energy: 0.9476774154661209
Energy: 0.897666214920699
Energy: 0.9476774154661209
Energy: 0.897666214920699
Energy: 0.9476774154661209
Energy: 1.0058435341349792
Energy: 1.0538002055776818
Energy: 1.0058435341349792
Energy: 1.0538002055776818
Energy: 1.0058435341349792
Energy: 1.0538002055776818
Energy: 0.9475291836213952
Energy: 0.9307785017872094
Energy: 0.9475291836213952
Energy: 0.9307785017872094
Energy: 0.9475291836213952
Energy: 0.9307785017872094
Energy: 0.9471561547982348
Energy: 0.9174023569581997
Energy: 0.9471561547982348
Energy: 0.9174023569581997
Energy: 0.9471561547982348
Energy: 0.9174023569581997
Energy: 0.9095465162477704
Energy: 1.0703195588790042
Energy: 0.9007391317279029
Energy: 1.0703195588790042
Energy: 0.9095465162477704
Energy: 1.0703195588790042
Energy: 0.8133591343674939
Energy: 0.9260685304403239
Energy: 0.8133591343680103
Energy: 0.9260685304403239
Energy: 0.8133591343680103
Energy: 0.9260685304403239
Energy: 0.840899422074521
Energy: 0.8618326438029961
Energy: 0.840899422074521
Energy: 0.8618326438035124
Energy: 0.840899422074521
Energy: 0.8618326438035124
Energy: 0.8397525895935052
Energy: 1.0431006845905881
Energy: 0.8397525895940215
Energy: 1.0431006845905881
Energy: 0.8397525895935052
Energy: 1.0431006845905881
Energy: 0.8307494022176385
Energy: 0.9231710520814203
Energy: 0.8307494022176385
Energy: 0.9231710520814203
Energy: 0.8307494022176385
Energy: 0.9231710520814203
Energy: 0.8415440413977303
Energy: 0.8309591374805422
Energy: 0.8415440413982468
Energy: 0.8309591374805422
Energy: 0.8415440413977303
Energy: 0.8309591374805422
Energy: 0.8133792522135553
Energy: 0.9289296165588247
Energy: 0.8133792522130386
Energy: 0.9289296165583084
Energy: 0.8133792522130386
Energy: 0.9289296165583084
Energy: 0.9619928511033813
Energy: 1.044422192985516
Energy: 0.9619928511033813
Energy: 1.044422192985516
Energy: 0.9619928511033813
Energy: 1.044422192985516
Energy: 0.8752154350055062
Energy: 0.8070811874960027
Energy: 0.8752154350055062
Energy: 0.8070811874954862
Energy: 0.8752154350055062
Energy: 0.8070811874960027
Energy: 0.7560806721943774
Energy: 0.9280708785320858
Energy: 0.7560806721943774
Energy: 0.9280708785320858
Energy: 0.7560806721943774
Energy: 0.9280708785320858

minimum gb energy = 0.7560806721943774 eV
minimum distance =  2.25604018851904 Angstroms
sigma value = 81


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

Energy: 0.04607049593636696
Energy: 0.10049092643772606
Energy: 0.04607049593636696
Energy: 0.10049092643772606
Energy: 0.04607049593636696
Energy: 0.10049092643772606
Energy: 0.7050526900316755
Energy: 0.04710107966485491
Energy: 0.7050526900316755
Energy: 0.04710107966675227
Energy: 0.7050526900316755
Energy: 0.04710107966675227
Energy: 0.7050865699291455
Energy: 0.04705029333586335
Energy: 0.7050865699272482
Energy: 0.04705029333586335
Energy: 0.7050865699272482
Energy: 0.04705029333586335
Energy: 0.04607049593636696
Energy: 0.10049092643772606
Energy: 0.04607049593636696
Energy: 0.10049092643772606
Energy: 0.04607049593636696
Energy: 0.10049092643772606
Energy: 0.7050526900335298
Energy: 0.04710107966864963
Energy: 0.7050526900316755
Energy: 0.04710107966864963
Energy: 0.7050526900335298
Energy: 0.04710107966864963
Energy: 0.7050865699272482
Energy: 0.047050293330171265
Energy: 0.7050865699272482
Energy: 0.047050293330171265
Energy: 0.7050865699272482
Energy: 0.047050293330171265
Energy: 0.04607049593636696
Energy: 0.10049092643772606
Energy: 0.04607049593636696
Energy: 0.10049092643772606
Energy: 0.04607049593636696
Energy: 0.10049092643772606
Energy: 0.7050526900316755
Energy: 0.04710107967054699
Energy: 0.7050526900335298
Energy: 0.04710107967054699
Energy: 0.7050526900335298
Energy: 0.04710107967054699
Energy: 0.7050865699272482
Energy: 0.04705029332447918
Energy: 0.7050865699291455
Energy: 0.047050293322581815
Energy: 0.7050865699291455
Energy: 0.047050293322581815
Energy: 0.04607049593636696
Energy: 0.10049092643772606
Energy: 0.04607049593636696
Energy: 0.10049092643772606
Energy: 0.04607049593636696
Energy: 0.10049092643772606

minimum gb energy = 0.04607049593636696 eV
minimum distance =  2.43895225705574 Angstroms
sigma value = 3


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

Energy: 0.8743514115657137
Energy: 0.8106886725625156
Energy: 0.8743514115657137
Energy: 0.8106886725625156
Energy: 0.8743514115657137
Energy: 0.8106886725625156
Energy: 0.7198868891119367
Energy: 0.7967724864726236
Energy: 0.7198868891119367
Energy: 0.7967724864726236
Energy: 0.7198868891119367
Energy: 0.7967724864720558
Energy: 0.805262993769957
Energy: 0.7981696209158146
Energy: 0.805262993769957
Energy: 0.7981696209158146
Energy: 0.805262993769957
Energy: 0.7981696209158146
Energy: 0.8503322565472469
Energy: 0.7969233489418709
Energy: 0.8503322565472469
Energy: 0.7969233489413031
Energy: 0.8503322565472469
Energy: 0.7969233489418709
Energy: 0.6907067834147268
Energy: 0.8066863373038853
Energy: 0.6907067834147268
Energy: 0.8066863373038853
Energy: 0.6907067834152947
Energy: 0.8066863373038853
Energy: 0.8079846330772356
Energy: 0.8000121720744823
Energy: 0.8079846330772356
Energy: 0.8000121720744823
Energy: 0.8079846330778033
Energy: 0.8000121720744823
Energy: 0.791392177088733
Energy: 0.7851232217270707
Energy: 0.791392177088733
Energy: 0.7851232217270707
Energy: 0.791392177088733
Energy: 0.7851232217270707
Energy: 0.684974807614692
Energy: 0.8061693515433962
Energy: 0.684974807614692
Energy: 0.8061693515433962
Energy: 0.684974807614692
Energy: 0.8061693515428284
Energy: 0.8222021971195546
Energy: 0.8065427555350342
Energy: 0.8222021971195546
Energy: 0.8065427555344664
Energy: 0.8222021971195546
Energy: 0.8065427555350342
Energy: 0.761451940085537
Energy: 0.7422645166718524
Energy: 0.761451940085537
Energy: 0.7422645166718524
Energy: 0.761451940085537
Energy: 0.7422645166718524
Energy: 0.7333309672570459
Energy: 0.7877886521754162
Energy: 0.7333309672570459
Energy: 0.7877886521754162
Energy: 0.7333309672570459
Energy: 0.7877886521754162
Energy: 0.8411729508972449
Energy: 0.8495570597225512
Energy: 0.8411729508972449
Energy: 0.8495570597225512
Energy: 0.8411729508972449
Energy: 0.8495570597225512
Energy: 0.7920971353701907
Energy: 0.7004004889556297
Energy: 0.7920971353701907
Energy: 0.7004004889573331
Energy: 0.7920971353701907
Energy: 0.7004004889567652
Energy: 0.7644021151552667
Energy: 0.8284624969080305
Energy: 0.7644021151552667
Energy: 0.8284624969080305
Energy: 0.7644021151552667
Energy: 0.8284624969080305
Energy: 0.7989238626379753
Energy: 0.8260873104380766
Energy: 0.7989238626379753
Energy: 0.8260873104380766
Energy: 0.7989238626379753
Energy: 0.8260873104380766
Energy: 0.7970913133080454
Energy: 0.6914633103130591
Energy: 0.7970913133074776
Energy: 0.6914633103136268
Energy: 0.7970913133080454
Energy: 0.6914633103136268
Energy: 0.8082995478963838
Energy: 0.8506165169119432
Energy: 0.8082995478963838
Energy: 0.8506165169119432
Energy: 0.8082995478963838
Energy: 0.8506165169119432
Energy: 0.8000289096162511
Energy: 0.7911805532464513
Energy: 0.8000289096162511
Energy: 0.7911805532464513
Energy: 0.8000289096162511
Energy: 0.7911805532464513
Energy: 0.7977995688436478
Energy: 0.7638000504671607
Energy: 0.7977995688436478
Energy: 0.7638000504671607
Energy: 0.79779956884308
Energy: 0.7638000504665929
Energy: 0.7841570706817564
Energy: 0.8891146615501359
Energy: 0.7841570706817564
Energy: 0.8891146615501359
Energy: 0.7841570706817564
Energy: 0.8891146615501359
Energy: 0.8285699654171653
Energy: 0.7807390865797244
Energy: 0.8285699654171653
Energy: 0.7807390865797244
Energy: 0.8285699654171653
Energy: 0.7807390865797244
Energy: 0.7770137457883274
Energy: 0.7730844671761243
Energy: 0.7770137457883274
Energy: 0.7730844671761243
Energy: 0.7770137457883274
Energy: 0.7730844671761243
Energy: 0.8001747385916894
Energy: 0.7783998216175558
Energy: 0.8001747385916894
Energy: 0.7783998216169881
Energy: 0.8001747385916894
Energy: 0.7783998216169881
Energy: 0.8112773451489501
Energy: 0.7675324077228121
Energy: 0.8112773451489501
Energy: 0.7675324077228121
Energy: 0.8112773451489501
Energy: 0.7675324077228121
Energy: 0.7930998037539222
Energy: 0.8073188165514541
Energy: 0.7930998037533544
Energy: 0.8073188165514541
Energy: 0.7930998037539222
Energy: 0.8073188165514541
Energy: 0.7880975206400564
Energy: 0.7911273793318816
Energy: 0.7880975206400564
Energy: 0.7911273793318816
Energy: 0.7880975206394887
Energy: 0.7911273793324494
Energy: 0.8989467704964542
Energy: 0.6842337408435825
Energy: 0.8989467704964542
Energy: 0.6842337408435825
Energy: 0.8989467704964542
Energy: 0.6842337408435825
Energy: 0.7984954273891798
Energy: 0.8288612264462963
Energy: 0.7984954273891798
Energy: 0.8288612264462963
Energy: 0.7984954273891798
Energy: 0.8288612264462963
Energy: 0.772531419478504
Energy: 0.8014646514550989
Energy: 0.772531419478504
Energy: 0.8014646514550989
Energy: 0.772531419478504
Energy: 0.8014646514550989
Energy: 0.9091247809306328
Energy: 0.7332409066504805
Energy: 0.9091247809306328
Energy: 0.7332409066504805
Energy: 0.9091247809306328
Energy: 0.7332409066504805
Energy: 0.8873537239692509
Energy: 0.8216175824197263
Energy: 0.8873537239692509
Energy: 0.8216175824197263
Energy: 0.8501871156633314
Energy: 0.8216175824197263
Energy: 0.7391894396095716
Energy: 0.7958740356009967
Energy: 0.7391894396095716
Energy: 0.7958740356009967
Energy: 0.7391894396095716
Energy: 0.7958740356009967
Energy: 0.8264654883204537
Energy: 0.8077972919104905
Energy: 0.8264654883204537
Energy: 0.8077972919104905
Energy: 0.8264654883204537
Energy: 0.8077972919104905

minimum gb energy = 0.6842337408435825 eV
minimum distance =  2.3083535911679 Angstroms
sigma value = 67


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

Energy: 1.079835808945184
Energy: 1.0045498244924902
Energy: 1.079835808945184
Energy: 1.0045498244924902
Energy: 1.079835808945184
Energy: 1.0045498244924902
Energy: 0.9929206528294515
Energy: 1.0138633817700968
Energy: 0.9929206528294515
Energy: 1.0138633817700968
Energy: 0.9929206528302605
Energy: 1.0138633817700968
Energy: 1.1163559495693176
Energy: 1.025836287020224
Energy: 1.1163559495701265
Energy: 1.025836287021033
Energy: 1.0424788938470941
Energy: 1.025836287020224
Energy: 1.044401932208997
Energy: 1.0180875164157157
Energy: 1.044401932208997
Energy: 1.0180875164157157
Energy: 1.044401932208997
Energy: 1.0180875164157157
Energy: 0.9009915112657383
Energy: 0.9681784122754423
Energy: 0.9009915112657383
Energy: 0.9681784122754423
Energy: 0.9009915112657383
Energy: 0.9681784122754423
Energy: 1.0417040359907306
Energy: 1.0214442942284656
Energy: 1.041704035989922
Energy: 1.0214442942284656
Energy: 1.041704035989922
Energy: 1.0214442942284656
Energy: 1.0579480487881174
Energy: 0.9785879734212791
Energy: 1.0579480487873085
Energy: 0.9785879734204701
Energy: 1.0579480487881174
Energy: 0.9785879734220881
Energy: 0.9704926007948799
Energy: 0.9546911986500689
Energy: 0.9704926007940706
Energy: 0.9546911986500689
Energy: 0.9704926007940706
Energy: 0.9546911986500689
Energy: 1.0675878716272484
Energy: 1.0821339165680848
Energy: 1.0675878716272484
Energy: 1.0821339165680848
Energy: 1.0675878716272484
Energy: 1.0821339165680848
Energy: 1.008014062164385
Energy: 0.9214740454801039
Energy: 1.008014062164385
Energy: 0.9214740454801039
Energy: 1.008014062164385
Energy: 0.9214740454801039
Energy: 1.0233118507581958
Energy: 1.028582028970879
Energy: 1.0233118507581958
Energy: 1.0285820289700698
Energy: 1.0233118507581958
Energy: 1.0285820289700698
Energy: 0.9911030942412411
Energy: 1.0287895697112002
Energy: 0.9911030942412411
Energy: 1.0287895697112002
Energy: 0.9911030942412411
Energy: 1.028789569712009
Energy: 1.0071594249017537
Energy: 0.9748228676769913
Energy: 1.0071594249017537
Energy: 0.9748228676769913
Energy: 1.0071594249017537
Energy: 0.9748228676769913
Energy: 1.0011516247712609
Energy: 1.0467150831253702
Energy: 1.0011516247712609
Energy: 1.0467150831253702
Energy: 1.0011516247712609
Energy: 1.0467150831253702
Energy: 0.9856418249047989
Energy: 0.9826178242948981
Energy: 0.9856418249047989
Energy: 0.9826178242948981
Energy: 0.9856418249047989
Energy: 0.9826178242948981
Energy: 1.0378618468429093
Energy: 0.9982872101231568
Energy: 1.0378618468429093
Energy: 0.9982872101231568
Energy: 1.0378618468421001
Energy: 0.9982872101231568
Energy: 1.0285533675459912
Energy: 1.0299397136921966
Energy: 1.0285533675459912
Energy: 1.0299397136921966
Energy: 1.0285533675468002
Energy: 1.0299397136921966
Energy: 0.993642999612135
Energy: 0.9663485030851733
Energy: 0.993642999612135
Energy: 0.9663485030851733
Energy: 0.993642999612135
Energy: 0.9663485030851733
Energy: 1.0136461657943887
Energy: 1.0481704484521146
Energy: 1.0136461657935798
Energy: 1.0481704484521146
Energy: 1.0136461657943887
Energy: 1.0481704484521146
Energy: 0.9058525817281643
Energy: 1.0260828519030578
Energy: 0.9058525817119836
Energy: 1.0260828519030578
Energy: 0.9058525817200739
Energy: 1.0260828519030578
Energy: 1.0706026806488946
Energy: 0.9807138260849736
Energy: 1.0706026806488946
Energy: 0.9807138260841645
Energy: 1.0706026806488946
Energy: 0.9807138260849736
Energy: 1.0596103750446713
Energy: 1.0870270563810456
Energy: 1.0596103750446713
Energy: 1.0870270563810456
Energy: 1.0596103750446713
Energy: 1.0870270563810456
Energy: 0.913824045469234
Energy: 1.0273931944929422
Energy: 0.9138240454700429
Energy: 1.0273931944929422
Energy: 0.913824045469234
Energy: 1.0273931944929422

minimum gb energy = 0.9009915112657383 eV
minimum distance =  2.31316999378738 Angstroms
sigma value = 33


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

Energy: 1.2187608670150818
Energy: 1.134733859075655
Energy: 1.2187608670150818
Energy: 1.134733859075655
Energy: 1.2187608670150818
Energy: 1.134733859075655
Energy: 1.1255233116834833
Energy: 1.152856191692801
Energy: 1.1255233116834833
Energy: 1.152856191692801
Energy: 1.1255233116834833
Energy: 1.152856191692801
Energy: 1.182201153245127
Energy: 1.1532147568634137
Energy: 1.182201153245127
Energy: 1.153214756863927
Energy: 1.182201153245127
Energy: 1.153214756863927
Energy: 1.1825812589028222
Energy: 1.1668168070063278
Energy: 1.1825812589028222
Energy: 1.1668168070063278
Energy: 1.1825812589028222
Energy: 1.1668168070063278
Energy: 1.1382814271081372
Energy: 1.1501864616854092
Energy: 1.1382814271081372
Energy: 1.1501864616859223
Energy: 1.1382814271081372
Energy: 1.1501864616859223
Energy: 1.2482940997076253
Energy: 1.2087375006949141
Energy: 1.2482940997076253
Energy: 1.208737500694401
Energy: 1.2482940997076253
Energy: 1.2661350447593283
Energy: 1.1282596905415478
Energy: 1.1061952663543229
Energy: 1.128259690542061
Energy: 1.1061952663543229
Energy: 1.1282596905415478
Energy: 1.1061952663543229
Energy: 1.1962839359329274
Energy: 1.1829928359994435
Energy: 1.1962839359329274
Energy: 1.1829928359999566
Energy: 1.1962839359329274
Energy: 1.1829928359994435
Energy: 1.1793271677163646
Energy: 1.1982469591510787
Energy: 1.1793271677163646
Energy: 1.1982469591510787
Energy: 1.1793271677163646
Energy: 1.1982469591510787
Energy: 1.2010013887010071
Energy: 1.1063476730171766
Energy: 1.2010013887010071
Energy: 1.1063476730166635
Energy: 1.2010013887015205
Energy: 1.1063476730182031
Energy: 1.1873187246322359
Energy: 1.1517946634763747
Energy: 1.1873187246322359
Energy: 1.1517946634763747
Energy: 1.1873187246322359
Energy: 1.1517946634763747
Energy: 1.1261370550634764
Energy: 1.1328502545857522
Energy: 1.1261370550634764
Energy: 1.132850254585239
Energy: 1.1261370550629632
Energy: 1.1328502545857522
Energy: 1.2017744020023011
Energy: 1.1264110688713795
Energy: 1.2017744020023011
Energy: 1.1264110688713795
Energy: 1.2017744020023011
Energy: 1.1264110688713795
Energy: 1.1277597503819816
Energy: 1.1572030344037736
Energy: 1.1277597503819816
Energy: 1.1572030344032602
Energy: 1.1277597503819816
Energy: 1.1572030344032602
Energy: 1.15975551342507
Energy: 1.1495699566394966
Energy: 1.1597555134255833
Energy: 1.1495699566394966
Energy: 1.1597555134255833
Energy: 1.1495699566394966
Energy: 1.182485440770694
Energy: 1.1840959032031444
Energy: 1.1824854407701808
Energy: 1.1840959032031444
Energy: 1.1824854407701808
Energy: 1.1840959032031444
Energy: 1.13349380346742
Energy: 1.1550380646239489
Energy: 1.13349380346742
Energy: 1.1550380646234357
Energy: 1.13349380346742
Energy: 1.1550380646234357
Energy: 1.2182751339739721
Energy: 1.2272994830139845
Energy: 1.2182751339744855
Energy: 1.2272994830139845
Energy: 1.2182751339739721
Energy: 1.2272994830139845
Energy: 1.1125450253435576
Energy: 1.202919733571339
Energy: 1.1125450253435576
Energy: 1.202919733571339
Energy: 1.1125450253435576
Energy: 1.202919733571339
Energy: 1.134499059263211
Energy: 1.1529950124284474
Energy: 1.134499059263211
Energy: 1.1529950124284474
Energy: 1.134499059263211
Energy: 1.1529950124284474
Energy: 1.1737134246503618
Energy: 1.1876266264801831
Energy: 1.1737134246503618
Energy: 1.1876266264801831
Energy: 1.1737134246503618
Energy: 1.1876266264806963
Energy: 1.1432570713201187
Energy: 1.114940557122017
Energy: 1.1432570713201187
Energy: 1.114940557121504
Energy: 1.1432570713201187
Energy: 1.114940557121504
Energy: 1.1737624958585258
Energy: 1.1520035208978996
Energy: 1.1737624958580124
Energy: 1.1520035208973864
Energy: 1.1737624958585258
Energy: 1.1520035208978996
Energy: 1.1990421103301647
Energy: 1.125148183157118
Energy: 1.1990421103301647
Energy: 1.1251481831566046
Energy: 1.1990421103301647
Energy: 1.1251481831566046
Energy: 1.123853908617052
Energy: 1.1332883595623322
Energy: 1.1238539086175656
Energy: 1.1332883595623322
Energy: 1.123853908617052
Energy: 1.1332883595623322
Energy: 1.171820742296369
Energy: 1.178414207478259
Energy: 1.1718207422958558
Energy: 1.178414207478259
Energy: 1.171820742296369
Energy: 1.1784142074787727
Energy: 1.1259990941881828
Energy: 1.1149963176951894
Energy: 1.1259990941881828
Energy: 1.1149963176951894
Energy: 1.1259990941881828
Energy: 1.1149963176951894
Energy: 1.1769583676646824
Energy: 1.2552328461708562
Energy: 1.1769583676651956
Energy: 1.2552328461708562
Energy: 1.1769583676646824
Energy: 1.2552328461708562
Energy: 1.1332897886909221
Energy: 1.1475944891667311
Energy: 1.1332897886914353
Energy: 1.1475944891667311
Energy: 1.1332897886914353
Energy: 1.147594489166218
Energy: 1.1083825943212495
Energy: 1.101579340317616
Energy: 1.1083825943217627
Energy: 1.101579340317616
Energy: 1.1083825943217627
Energy: 1.101579340317616
Energy: 1.2473329238844602
Energy: 1.228962849099973
Energy: 1.2473329238844602
Energy: 1.228962849099973
Energy: 1.2473329238844602
Energy: 1.228962849099973
Energy: 1.13852407840471
Energy: 1.1530022440784227
Energy: 1.13852407840471
Energy: 1.1530022440784227
Energy: 1.13852407840471
Energy: 1.1530022440784227
Energy: 1.186555304641276
Energy: 1.1837928726682228
Energy: 1.186555304641276
Energy: 1.1837928726682228
Energy: 1.186555304641276
Energy: 1.1837928726682228
Energy: 1.1546796264089403
Energy: 1.1515342905408712
Energy: 1.1546796264089403
Energy: 1.1515342905408712
Energy: 1.1546796264089403
Energy: 1.1515342905408712
Energy: 1.1245874248648764
Energy: 1.1545845612515573
Energy: 1.1245874248648764
Energy: 1.1545845612520707
Energy: 1.1245874248643632
Energy: 1.1545845612520707
Energy: 1.2230001110677036
Energy: 1.1300822123982952
Energy: 1.2230001110677036
Energy: 1.1300822123982952
Energy: 1.2230001110671902
Energy: 1.1300822123977823
Energy: 1.1292461769633064
Energy: 1.145740817863045
Energy: 1.1292461769633064
Energy: 1.145740817863045
Energy: 1.1292461769633064
Energy: 1.145740817863045

minimum gb energy = 1.101579340317616 eV
minimum distance =  2.29682082539713 Angstroms
sigma value = 41


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

Energy: 1.4012993662774682
Energy: 1.355788998771927
Energy: 1.4012993662774682
Energy: 1.355788998773328
Energy: 1.4012993662774682
Energy: 1.355788998773328
Energy: 1.3255614295419555
Energy: 1.3800149011117635
Energy: 1.3255614295419555
Energy: 1.3800149011117635
Energy: 1.3255614295419555
Energy: 1.3800149011117635
Energy: 1.4664472125951675
Energy: 1.353214637136088
Energy: 1.4664472125951675
Energy: 1.353214637136088
Energy: 1.4664472125951675
Energy: 1.353214637136088
Energy: 1.389523121164127
Energy: 1.4280911708673196
Energy: 1.389523121164127
Energy: 1.4280911708673196
Energy: 1.389523121164127
Energy: 1.4280911708673196
Energy: 1.3193576917566265
Energy: 1.3517072727060613
Energy: 1.3193576917566265
Energy: 1.3517072727060613
Energy: 1.3193576917566265
Energy: 1.3517072727060613
Energy: 1.506281215336628
Energy: 1.455991599784526
Energy: 1.506281215336628
Energy: 1.455991599784526
Energy: 1.506281215336628
Energy: 1.455991599784526
Energy: 1.3896712294599955
Energy: 1.2982561006504494
Energy: 1.3896712294599955
Energy: 1.2982561006504494
Energy: 1.3896712294599955
Energy: 1.2982561006504494
Energy: 1.3966789591288373
Energy: 1.3605440463190586
Energy: 1.3966789591288373
Energy: 1.3605440463190586
Energy: 1.3966789591288373
Energy: 1.3605440463190586
Energy: 1.3279257590530174
Energy: 1.3256756354293373
Energy: 1.3279257590530174
Energy: 1.3256756354293373
Energy: 1.3279257590530174
Energy: 1.3256756354293373
Energy: 1.3916513970030882
Energy: 1.3714845109207094
Energy: 1.391651397001687
Energy: 1.3714845109207094
Energy: 1.3916513970030882
Energy: 1.3714845109207094
Energy: 1.3248399989720676
Energy: 1.3539290520791214
Energy: 1.3248399989720676
Energy: 1.3539290520791214
Energy: 1.3248399989720676
Energy: 1.3539290520791214
Energy: 1.3891271420628837
Energy: 1.3798814243293718
Energy: 1.3891271420628837
Energy: 1.3798814243293718
Energy: 1.3891271420614826
Energy: 1.3798814243293718
Energy: 1.4112291219208775
Energy: 1.4310580066771335
Energy: 1.4112291219208775
Energy: 1.4310580066771335
Energy: 1.4112291219208775
Energy: 1.4310580066771335
Energy: 1.3207819286886824
Energy: 1.356726372542248
Energy: 1.3207819286886824
Energy: 1.356726372542248
Energy: 1.3207819286886824
Energy: 1.356726372542248

minimum gb energy = 1.2982561006504494 eV
minimum distance =  2.28669017820565 Angstroms
sigma value = 11


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

Energy: 1.593405079991049
Energy: 1.5911820096067513
Energy: 1.593405079991049
Energy: 1.5911820096067513
Energy: 1.593405079991049
Energy: 1.5911820096067513
Energy: 1.467625151982203
Energy: 1.53591673223223
Energy: 1.467625151982203
Energy: 1.53591673223223
Energy: 1.467625151982203
Energy: 1.53591673223223
Energy: 1.5578897318669505
Energy: 1.5407404320167863
Energy: 1.5578897318669505
Energy: 1.5407404320174019
Energy: 1.5578897318669505
Energy: 1.5407404320167863
Energy: 1.5386997589894547
Energy: 1.4874948299174615
Energy: 1.5386997589894547
Energy: 1.4874948299174615
Energy: 1.5386997589894547
Energy: 1.4874948299174615
Energy: 1.5731163229334546
Energy: 1.5309395149531524
Energy: 1.5731163229334546
Energy: 1.5309395149531524
Energy: 1.5731163229334546
Energy: 1.5309395149531524
Energy: 1.5201730141713288
Energy: 1.5791056786657525
Energy: 1.5201730141713288
Energy: 1.5791056786657525
Energy: 1.5201730141713288
Energy: 1.5791056786657525
Energy: 1.54441101382213
Energy: 1.549290338487117
Energy: 1.5444110138227454
Energy: 1.5492903384865016
Energy: 1.54441101382213
Energy: 1.549290338487117
Energy: 1.528926103644147
Energy: 1.546549151064677
Energy: 1.528926103644147
Energy: 1.546549151064677
Energy: 1.528926103644147
Energy: 1.546549151064677
Energy: 1.55026089004512
Energy: 1.5310395367242768
Energy: 1.55026089004512
Energy: 1.5310395367242768
Energy: 1.55026089004512
Energy: 1.5310395367242768
Energy: 1.5287284849642713
Energy: 1.5603426563045617
Energy: 1.5287284849642713
Energy: 1.5603426563045617
Energy: 1.5287284849642713
Energy: 1.5603426563045617
Energy: 1.5268678393528048
Energy: 1.5568246346954615
Energy: 1.5268678393528048
Energy: 1.5568246346954615
Energy: 1.5268678393528048
Energy: 1.5568246346954615
Energy: 1.5551397999057994
Energy: 1.5626870736678322
Energy: 1.5551397999057994
Energy: 1.5626870736684477
Energy: 1.5551397999057994
Energy: 1.5626870736678322
Energy: 1.541529597482432
Energy: 1.5152536155755085
Energy: 1.541529597482432
Energy: 1.5152536155755085
Energy: 1.541529597482432
Energy: 1.515253615574893
Energy: 1.5407914984342874
Energy: 1.555836976012996
Energy: 1.540791498433672
Energy: 1.555836976012996
Energy: 1.540791498433672
Energy: 1.555836976012996
Energy: 1.5103748853617467
Energy: 1.524773603797033
Energy: 1.5103748853617467
Energy: 1.524773603797033
Energy: 1.5103748853617467
Energy: 1.524773603797033
Energy: 1.532550229208738
Energy: 1.522013693098943
Energy: 1.532550229208738
Energy: 1.522013693098943
Energy: 1.532550229208738
Energy: 1.522013693098943
Energy: 1.4929497167610215
Energy: 1.5330156325596886
Energy: 1.4929497167610215
Energy: 1.5330156325596886
Energy: 1.4929497167610215
Energy: 1.5330156325596886
Energy: 1.5929194946847371
Energy: 1.5787377776647422
Energy: 1.5929194946847371
Energy: 1.5787377776647422
Energy: 1.5929194946847371
Energy: 1.5787377776647422
Energy: 1.521585922444809
Energy: 1.4504599674642065
Energy: 1.521585922444809
Energy: 1.4504599674642065
Energy: 1.521585922444809
Energy: 1.4504599674642065
Energy: 1.524157123505747
Energy: 1.5331917385674747
Energy: 1.524157123505747
Energy: 1.5331917385668592
Energy: 1.5241571235063627
Energy: 1.5331917385674747
Energy: 1.4884294726853209
Energy: 1.511576147703015
Energy: 1.4884294726859364
Energy: 1.511576147703015
Energy: 1.4884294726853209
Energy: 1.511576147703015
Energy: 1.589169252884255
Energy: 1.5694519847076134
Energy: 1.589169252884255
Energy: 1.569451984706998
Energy: 1.589169252884255
Energy: 1.5694519847076134
Energy: 1.5483207239381336
Energy: 1.5348667280068542
Energy: 1.5483207239381336
Energy: 1.5348667280068542
Energy: 1.5483207239387493
Energy: 1.5348667280068542
Energy: 1.5849560064987813
Energy: 1.5356502297609684
Energy: 1.5849560064987813
Energy: 1.5356502297609684
Energy: 1.5849560064987813
Energy: 1.5356502297609684
Energy: 1.5287373377952866
Energy: 1.5337287202829064
Energy: 1.5287373377952866
Energy: 1.5337287202829064
Energy: 1.5287373377952866
Energy: 1.5337287202829064
Energy: 1.5153892554441797
Energy: 1.5264008718035564
Energy: 1.5153892554441797
Energy: 1.5264008718035564
Energy: 1.5153892554441797
Energy: 1.5264008718035564
Energy: 1.5170167730080144
Energy: 1.5981143243428593
Energy: 1.5170167730080144
Energy: 1.5981143243428593
Energy: 1.5170167730080144
Energy: 1.5981143243428593
Energy: 1.5551419202815873
Energy: 1.5122842116985933
Energy: 1.5551419202815873
Energy: 1.5122842116985933
Energy: 1.5551419202815873
Energy: 1.5122842116985933
Energy: 1.5401513301441363
Energy: 1.5437366966554893
Energy: 1.5401513301441363
Energy: 1.5437366966548736
Energy: 1.5401513301441363
Energy: 1.5437366966554893
Energy: 1.5150955300007336
Energy: 1.45714759593413
Energy: 1.5150955300007336
Energy: 1.45714759593413
Energy: 1.5150955300007336
Energy: 1.4571475959335147
Energy: 1.5218191613455263
Energy: 1.590605107128879
Energy: 1.5218191613455263
Energy: 1.590605107128879
Energy: 1.5218191613455263
Energy: 1.590605107128879

minimum gb energy = 1.4504599674642065 eV
minimum distance =  2.25419940682517 Angstroms
sigma value = 57


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

Energy: 1.490392180841186
Energy: 1.4794620387007917
Energy: 1.490392180841186
Energy: 1.4794620387007917
Energy: 1.490392180841186
Energy: 1.4794620387007917
Energy: 1.5584767181052
Energy: 1.6547903161477644
Energy: 1.5584767181062953
Energy: 1.65479031614886
Energy: 1.5584767181062953
Energy: 1.65479031614886
Energy: 1.5728388404928726
Energy: 1.55344395833987
Energy: 1.5728388404928726
Energy: 1.55344395833987
Energy: 1.5728388404928726
Energy: 1.55344395833987
Energy: 1.4965573803480898
Energy: 1.6077978062998304
Energy: 1.4965573803480898
Energy: 1.6077978062998304
Energy: 1.4965573803480898
Energy: 1.6077978062998304
Energy: 1.5724768042054351
Energy: 1.5535245215449083
Energy: 1.5724768042054351
Energy: 1.5535245215449083
Energy: 1.5724768042054351
Energy: 1.5535245215449083
Energy: 1.5584590205871556
Energy: 1.462524359947635
Energy: 1.5584590205871556
Energy: 1.4625243599465396
Energy: 1.5584590205871556
Energy: 1.462524359947635
Energy: 1.490392180841186
Energy: 1.4794620387007917
Energy: 1.490392180841186
Energy: 1.4794620387007917
Energy: 1.490392180841186
Energy: 1.4794620387007917
Energy: 1.5584767181052
Energy: 1.65479031614886
Energy: 1.5584767181052
Energy: 1.65479031614886
Energy: 1.5584767181052
Energy: 1.65479031614886
Energy: 1.5728388404917775
Energy: 1.55344395833987
Energy: 1.5728388404917775
Energy: 1.55344395833987
Energy: 1.5728388404928726
Energy: 1.55344395833987
Energy: 1.4965573803480898
Energy: 1.6077978062998304
Energy: 1.4965573803480898
Energy: 1.6077978062998304
Energy: 1.4965573803480898
Energy: 1.6077978062998304
Energy: 1.5724768042054351
Energy: 1.5535245215449083
Energy: 1.5724768042054351
Energy: 1.5535245215449083
Energy: 1.5724768042054351
Energy: 1.5535245215449083
Energy: 1.5584590205871556
Energy: 1.594095275457422
Energy: 1.5584590205871556
Energy: 1.594095275457422
Energy: 1.5584590205871556
Energy: 1.594095275457422
Energy: 1.490392180841186
Energy: 1.4794620387007917
Energy: 1.490392180841186
Energy: 1.4794620387007917
Energy: 1.490392180841186
Energy: 1.4794620387007917
Energy: 1.5584767181052
Energy: 1.65479031614886
Energy: 1.5584767181052
Energy: 1.65479031614886
Energy: 1.5584767181052
Energy: 1.6547903161477644
Energy: 1.5728388404928726
Energy: 1.55344395833987
Energy: 1.5728388404928726
Energy: 1.55344395833987
Energy: 1.5728388404917775
Energy: 1.55344395833987
Energy: 1.4965573803480898
Energy: 1.6077978062998304
Energy: 1.4965573803480898
Energy: 1.6077978062998304
Energy: 1.4965573803480898
Energy: 1.6077978062998304
Energy: 1.5724768042054351
Energy: 1.5535245215449083
Energy: 1.5724768042054351
Energy: 1.5535245215449083
Energy: 1.5724768042054351
Energy: 1.5535245215449083

minimum gb energy = 1.4625243599465396 eV
minimum distance =  2.28752810518317 Angstroms
sigma value = 9


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

Energy: 1.6245505002312643
Energy: 1.6530027147705169
Energy: 1.6245505002321587
Energy: 1.6530027147705169
Energy: 1.6245505002321587
Energy: 1.6530027147705169
Energy: 1.5877173093178876
Energy: 1.5732275922077565
Energy: 1.5877173093178876
Energy: 1.5732275922077565
Energy: 1.5877173093178876
Energy: 1.5732275922077565
Energy: 1.593564229408753
Energy: 1.5824650194716654
Energy: 1.593564229408753
Energy: 1.5824650194725598
Energy: 1.593564229408753
Energy: 1.5824650194716654
Energy: 1.552605871235942
Energy: 1.6734746102835627
Energy: 1.552605871235942
Energy: 1.6734746102835627
Energy: 1.552605871235942
Energy: 1.6734746102835627
Energy: 1.5733396478383366
Energy: 1.602182900120334
Energy: 1.5733396478392307
Energy: 1.602182900120334
Energy: 1.5733396478383366
Energy: 1.602182900120334
Energy: 1.5919771539882044
Energy: 1.583467496992635
Energy: 1.5919771539882044
Energy: 1.5834674969917404
Energy: 1.5919771539882044
Energy: 1.583467496992635
Energy: 1.5638300376190857
Energy: 1.592583957167095
Energy: 1.5638300376190857
Energy: 1.592583957167095
Energy: 1.563830037618191
Energy: 1.592583957167095
Energy: 1.5597421073855346
Energy: 1.6184557247730413
Energy: 1.5597421073855346
Energy: 1.6184557247730413
Energy: 1.5597421073855346
Energy: 1.6184557247739357
Energy: 1.6811038205538054
Energy: 1.6374062949095796
Energy: 1.6811038205538054
Energy: 1.6374062949095796
Energy: 1.6811038205529105
Energy: 1.6374062949095796
Energy: 1.5673531812237433
Energy: 1.5892157851635593
Energy: 1.5673531812237433
Energy: 1.5892157851635593
Energy: 1.5673531812237433
Energy: 1.5892157851635593
Energy: 1.5618700800858125
Energy: 1.5863709310059781
Energy: 1.5618700800858125
Energy: 1.5863709310059781
Energy: 1.5618700800858125
Energy: 1.5863709310059781
Energy: 1.6572251896151071
Energy: 1.5861637114074616
Energy: 1.6572251896160017
Energy: 1.5861637114074616
Energy: 1.6572251896151071
Energy: 1.5861637114074616
Energy: 1.5532793904054336
Energy: 1.6293159254678538
Energy: 1.5532793904063278
Energy: 1.629315925468748
Energy: 1.5532793904054336
Energy: 1.6293159254678538
Energy: 1.576038797847229
Energy: 1.570717121141197
Energy: 1.576038797847229
Energy: 1.570717121141197
Energy: 1.576038797847229
Energy: 1.570717121141197
Energy: 1.604560068791498
Energy: 1.5704542687843106
Energy: 1.604560068791498
Energy: 1.5704542687843106
Energy: 1.604560068791498
Energy: 1.5704542687843106
Energy: 1.6371341340254026
Energy: 1.5839990022817725
Energy: 1.6371341340254026
Energy: 1.5839990022817725
Energy: 1.6371341340254026
Energy: 1.5839990022817725
Energy: 1.6235860440835774
Energy: 1.584674906816041
Energy: 1.6235860440835774
Energy: 1.584674906816041
Energy: 1.6235860440835774
Energy: 1.584674906816041
Energy: 1.7514155361037416
Energy: 1.5724469444807967
Energy: 1.7514155361037416
Energy: 1.572446944481691
Energy: 1.7514155361046357
Energy: 1.572446944481691
Energy: 1.5630843125247857
Energy: 1.5959137477630956
Energy: 1.5630843125247857
Energy: 1.5959137477630956
Energy: 1.5630843125247857
Energy: 1.5959137477630956
Energy: 1.577641295485084
Energy: 1.5958954573820026
Energy: 1.577641295485084
Energy: 1.5958954573820026
Energy: 1.577641295485084
Energy: 1.5958954573820026
Energy: 1.6603700408423878
Energy: 1.6057307199047641
Energy: 1.6603700408414934
Energy: 1.6057307199047641
Energy: 1.6603700408414934
Energy: 1.6057307199047641

minimum gb energy = 1.552605871235942 eV
minimum distance =  2.25535548356847 Angstroms
sigma value = 27


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

Energy: 1.597120359418427
Energy: 1.5167864080455973
Energy: 1.597120359418427
Energy: 1.5167864080448434
Energy: 1.597120359418427
Energy: 1.5167864080455973
Energy: 1.5546984385732014
Energy: 1.509249026438873
Energy: 1.5546984385739555
Energy: 1.509249026438873
Energy: 1.5546984385732014
Energy: 1.509249026438873
Energy: 1.5206836214577384
Energy: 1.529071922960906
Energy: 1.5206836214577384
Energy: 1.529071922960906
Energy: 1.5206836214577384
Energy: 1.529071922960906
Energy: 1.5118203145992835
Energy: 1.5136188100417305
Energy: 1.5118203145992835
Energy: 1.5136188100417305
Energy: 1.5118203146000375
Energy: 1.5136188100409764
Energy: 1.5109820161943293
Energy: 1.4610271363622225
Energy: 1.5109820161943293
Energy: 1.4610271363614686
Energy: 1.5109820161943293
Energy: 1.4610271363622225
Energy: 1.44855750023808
Energy: 1.5404604219501106
Energy: 1.448557500237326
Energy: 1.5404604219501106
Energy: 1.448557500237326
Energy: 1.5404604219501106
Energy: 1.5543977727029705
Energy: 1.5370803408997864
Energy: 1.5543977727029705
Energy: 1.5370803408997864
Energy: 1.5543977727029705
Energy: 1.5370803408997864
Energy: 1.5681599848642132
Energy: 1.5206846673545908
Energy: 1.5681599848642132
Energy: 1.5206846673545908
Energy: 1.5681599848642132
Energy: 1.5206846673545908
Energy: 1.519858653481899
Energy: 1.5404995419866707
Energy: 1.519858653481899
Energy: 1.5404995419866707
Energy: 1.519858653481899
Energy: 1.5404995419859169
Energy: 1.5123085270155787
Energy: 1.5258580731457343
Energy: 1.5123085270163326
Energy: 1.5258580731457343
Energy: 1.5123085270155787
Energy: 1.5258580731457343
Energy: 1.5123867373855262
Energy: 1.528022903551836
Energy: 1.5123867373855262
Energy: 1.528022903551836
Energy: 1.5123867373855262
Energy: 1.528022903551836
Energy: 1.5322367075877505
Energy: 1.5547261205904952
Energy: 1.5322367075877505
Energy: 1.5547261205904952
Energy: 1.5322367075877505
Energy: 1.5547261205904952
Energy: 1.5832029584597496
Energy: 1.5642922426560575
Energy: 1.5832029584597496
Energy: 1.5642922426553034
Energy: 1.5832029584597496
Energy: 1.5642922426560575
Energy: 1.5352533810145812
Energy: 1.5194998247553992
Energy: 1.5352533810145812
Energy: 1.5194998247553992
Energy: 1.5352533810145812
Energy: 1.5194998247553992
Energy: 1.448579495937308
Energy: 1.5397682504808612
Energy: 1.448579495937308
Energy: 1.539768250481615
Energy: 1.448579495937308
Energy: 1.539768250481615
Energy: 1.5103575019881985
Energy: 1.4601110922386804
Energy: 1.5103575019874447
Energy: 1.4601110922386804
Energy: 1.5103575019874447
Energy: 1.4601110922386804
Energy: 1.527442982830693
Energy: 1.5237423602412807
Energy: 1.527442982830693
Energy: 1.5237423602412807
Energy: 1.527442982830693
Energy: 1.5237423602412807
Energy: 1.511296455122305
Energy: 1.5261660305557372
Energy: 1.511296455122305
Energy: 1.5261660305557372
Energy: 1.511296455122305
Energy: 1.5261660305557372
Energy: 1.5096796170522295
Energy: 1.5090302208498259
Energy: 1.5096796170522295
Energy: 1.5090302208498259
Energy: 1.5096796170522295
Energy: 1.5090302208498259
Energy: 1.597120359418427
Energy: 1.5167864080455973
Energy: 1.597120359418427
Energy: 1.5167864080455973
Energy: 1.597120359418427
Energy: 1.5167864080448434
Energy: 1.5546984385732014
Energy: 1.509249026438873
Energy: 1.5546984385732014
Energy: 1.509249026438873
Energy: 1.5546984385732014
Energy: 1.509249026438873
Energy: 1.5206836214577384
Energy: 1.5290719229601517
Energy: 1.5206836214577384
Energy: 1.529071922960906
Energy: 1.5206836214577384
Energy: 1.529071922960906
Energy: 1.5118203145985296
Energy: 1.5136188100417305
Energy: 1.5118203145985296
Energy: 1.5136188100417305
Energy: 1.5118203145985296
Energy: 1.5136188100417305
Energy: 1.5109820161943293
Energy: 1.4610271363614686
Energy: 1.5109820161943293
Energy: 1.4610271363614686
Energy: 1.5109820161943293
Energy: 1.4610271363614686
Energy: 1.448557500237326
Energy: 1.5404604219501106
Energy: 1.448557500237326
Energy: 1.5404604219501106
Energy: 1.448557500237326
Energy: 1.5404604219501106

minimum gb energy = 1.448557500237326 eV
minimum distance =  2.28375572368835 Angstroms
sigma value = 19


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

Energy: 1.5246758284051598
Energy: 1.5380361897121013
Energy: 1.5246758284051598
Energy: 1.5380361897121013
Energy: 1.5246758284051598
Energy: 1.5380361897121013
Energy: 1.5307213512815963
Energy: 1.5087726925802716
Energy: 1.5307213512815963
Energy: 1.5087726925802716
Energy: 1.5307213512815963
Energy: 1.5087726925802716
Energy: 1.5420833498979216
Energy: 1.4596541292523961
Energy: 1.5420833498979216
Energy: 1.4596541292523961
Energy: 1.5420833498979216
Energy: 1.4596541292523961
Energy: 1.481023417758575
Energy: 1.5378256348637174
Energy: 1.4810234177579242
Energy: 1.5378256348637174
Energy: 1.481023417758575
Energy: 1.5378256348637174
Energy: 1.52687401413078
Energy: 1.5668172008716557
Energy: 1.52687401413078
Energy: 1.5668172008716557
Energy: 1.52687401413078
Energy: 1.5668172008716557
Energy: 1.515142653385152
Energy: 1.486407105684474
Energy: 1.515142653385152
Energy: 1.486407105684474
Energy: 1.515142653385152
Energy: 1.486407105684474
Energy: 1.4667828442855775
Energy: 1.5503292517278957
Energy: 1.4667828442855775
Energy: 1.550329251727245
Energy: 1.4667828442855775
Energy: 1.550329251727245
Energy: 1.5209217120149625
Energy: 1.5581407210856917
Energy: 1.520921712014312
Energy: 1.5581407210856917
Energy: 1.520921712014312
Energy: 1.5581407210856917
Energy: 1.6087173852906722
Energy: 1.459052144166749
Energy: 1.6087173852906722
Energy: 1.4590521441673998
Energy: 1.6087173852906722
Energy: 1.459052144166749
Energy: 1.5568642980443779
Energy: 1.5203020509931384
Energy: 1.5568642980443779
Energy: 1.5203020509931384
Energy: 1.5568642980443779
Energy: 1.5203020509931384
Energy: 1.4687602318902895
Energy: 1.5554835578147514
Energy: 1.4687602318902895
Energy: 1.5554835578141009
Energy: 1.4687602318902895
Energy: 1.5554835578147514
Energy: 1.5382637728135649
Energy: 1.45935780900394
Energy: 1.5382637728142157
Energy: 1.45935780900394
Energy: 1.5382637728135649
Energy: 1.45935780900394
Energy: 1.5239124312931571
Energy: 1.5088155128053968
Energy: 1.5239124312931571
Energy: 1.5088155128053968
Energy: 1.5239124312931571
Energy: 1.5088155128053968
Energy: 1.4818655682382984
Energy: 1.5196928679227752
Energy: 1.4818655682382984
Energy: 1.5196928679221242
Energy: 1.4818655682382984
Energy: 1.5196928679227752
Energy: 1.5492264469520052
Energy: 1.4704726002231816
Energy: 1.5492264469520052
Energy: 1.4704726002231816
Energy: 1.5492264469520052
Energy: 1.4704726002231816
Energy: 1.5404671024825767
Energy: 1.4594596106590052
Energy: 1.5404671024819259
Energy: 1.4594596106590052
Energy: 1.5404671024819259
Energy: 1.4594596106590052
Energy: 1.4800818707331114
Energy: 1.5321994214560122
Energy: 1.4800818707331114
Energy: 1.5321994214560122
Energy: 1.4800818707331114
Energy: 1.5321994214560122
Energy: 1.538647724896301
Energy: 1.5757546109861404
Energy: 1.538647724896301
Energy: 1.5757546109854896
Energy: 1.538647724896301
Energy: 1.5757546109861404
Energy: 1.5104675807671075
Energy: 1.483316374564895
Energy: 1.5104675807671075
Energy: 1.4833163745642441
Energy: 1.5104675807677581
Energy: 1.483316374564895
Energy: 1.489345262053567
Energy: 1.5301360727625122
Energy: 1.489345262053567
Energy: 1.5301360727625122
Energy: 1.489345262053567
Energy: 1.5301360727625122
Energy: 1.4719489959092344
Energy: 1.5562636542533077
Energy: 1.4719489959092344
Energy: 1.5562636542533077
Energy: 1.4719489959098853
Energy: 1.5562636542533077
Energy: 1.6134016290384512
Energy: 1.4770080211616188
Energy: 1.6134016290384512
Energy: 1.4770080211616188
Energy: 1.6134016290384512
Energy: 1.4770080211616188
Energy: 1.6005183596072081
Energy: 1.5265218189994412
Energy: 1.6005183596072081
Energy: 1.5265218189994412
Energy: 1.600518359606557
Energy: 1.5265218189994412
Energy: 1.5236880908283823
Energy: 1.546406297680097
Energy: 1.5236880908283823
Energy: 1.546406297679446
Energy: 1.5236880908283823
Energy: 1.546406297680097
Energy: 1.514163976804291
Energy: 1.4941042521830983
Energy: 1.514163976804291
Energy: 1.4941042521830983
Energy: 1.514163976804291
Energy: 1.4941042521830983
Energy: 1.5336986399272337
Energy: 1.493902724874344
Energy: 1.5336986399272337
Energy: 1.4939027248736931
Energy: 1.5336986399272337
Energy: 1.493902724874344
Energy: 1.4833300329352697
Energy: 1.5249169244242733
Energy: 1.460087044462763
Energy: 1.5249169244242733
Energy: 1.4833300329352697
Energy: 1.5249169244242733
Energy: 1.5471910387878565
Energy: 1.4943435528667548
Energy: 1.5471910387878565
Energy: 1.4943435528667548
Energy: 1.5471910387878565
Energy: 1.4943435528667548
Energy: 1.5264910390639082
Energy: 1.494512111513573
Energy: 1.5264910390639082
Energy: 1.4945121115129225
Energy: 1.5264910390639082
Energy: 1.4945121115129225

minimum gb energy = 1.459052144166749 eV
minimum distance =  2.25142868026191 Angstroms
sigma value = 101


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

Energy: 1.441401766155672
Energy: 1.5394564812392382
Energy: 1.441401766155672
Energy: 1.5394564812392382
Energy: 1.441401766155672
Energy: 1.5394564812392382
Energy: 1.525895977000301
Energy: 1.431096318015262
Energy: 1.525895977000301
Energy: 1.431096318015262
Energy: 1.525895977000301
Energy: 1.431096318015262
Energy: 1.4978914012206825
Energy: 1.3915222270679302
Energy: 1.4978914012206825
Energy: 1.3915222270679302
Energy: 1.4978914012206825
Energy: 1.3915222270679302
Energy: 1.3801532450829022
Energy: 1.491786185416068
Energy: 1.3801532450829022
Energy: 1.5440020817780882
Energy: 1.3801532450829022
Energy: 1.4917861854154957
Energy: 1.4478620111830955
Energy: 1.494838690956386
Energy: 1.4478620111830955
Energy: 1.494838690956386
Energy: 1.4478620111830955
Energy: 1.494838690956386
Energy: 1.505491304737857
Energy: 1.391079814739503
Energy: 1.505491304737857
Energy: 1.391079814739503
Energy: 1.505491304737857
Energy: 1.3910798147400751
Energy: 1.4331728194117748
Energy: 1.4995832789184662
Energy: 1.4331728194112026
Energy: 1.4995832789184662
Energy: 1.4331728194123468
Energy: 1.4995832789184662
Energy: 1.3827056279184866
Energy: 1.5031969114324688
Energy: 1.3827056279184866
Energy: 1.5532637912364093
Energy: 1.3827056279184866
Energy: 1.5031969114324688
Energy: 1.5044178411826317
Energy: 1.3924772259781324
Energy: 1.5044178411826317
Energy: 1.3924772259781324
Energy: 1.5044178411826317
Energy: 1.3924772259781324
Energy: 1.447681223696535
Energy: 1.4971019958707668
Energy: 1.4476812236959629
Energy: 1.5289704011789718
Energy: 1.4476812236959629
Energy: 1.4971019958707668
Energy: 1.3786095511101728
Energy: 1.6518708914395688
Energy: 1.3786095511101728
Energy: 1.6518708914395688
Energy: 1.3786095511101728
Energy: 1.6518708914395688
Energy: 1.5748848836702127
Energy: 1.4336441570255232
Energy: 1.5748848836702127
Energy: 1.4336441570255232
Energy: 1.5748848836702127
Energy: 1.4336441570255232
Energy: 1.4789519036961019
Energy: 1.445246738833436
Energy: 1.4789519036961019
Energy: 1.445246738833436
Energy: 1.4789519036961019
Energy: 1.445246738833436
Energy: 1.4473410509332407
Energy: 1.5291325907965432
Energy: 1.4473410509338127
Energy: 1.5291325907965432
Energy: 1.4473410509332407
Energy: 1.5291325907965432
Energy: 1.5239223940982363
Energy: 1.4464051124510338
Energy: 1.5239223940982363
Energy: 1.4464051124510338
Energy: 1.5239223940982363
Energy: 1.4464051124516055
Energy: 1.4971412835732492
Energy: 1.4129413701135676
Energy: 1.4971412835732492
Energy: 1.4129413701141393
Energy: 1.4971412835732492
Energy: 1.4129413701135676
Energy: 1.3746585682184065
Energy: 1.5177343797592577
Energy: 1.3746585682189785
Energy: 1.5177343797592577
Energy: 1.3746585682184065
Energy: 1.5177343797592577
Energy: 1.3726050341068141
Energy: 1.4935425384515024
Energy: 1.3726050341068141
Energy: 1.4935425384520744
Energy: 1.3726050341068141
Energy: 1.4935425384520744
Energy: 1.503993828335013
Energy: 1.39249153143995
Energy: 1.503993828335585
Energy: 1.39249153143995
Energy: 1.503993828335585
Energy: 1.39249153143995
Energy: 1.4314008250001693
Energy: 1.5103407458667
Energy: 1.4314008250001693
Energy: 1.5103407458667
Energy: 1.431400824999597
Energy: 1.5103407458667
Energy: 1.3797906057607572
Energy: 1.6492419560162377
Energy: 1.3797906057607572
Energy: 1.6492419560162377
Energy: 1.3797906057607572
Energy: 1.6492419560162377
Energy: 1.5273732569830771
Energy: 1.3894955985718493
Energy: 1.5273732569830771
Energy: 1.3894955985718493
Energy: 1.5273732569830771
Energy: 1.3894955985712771
Energy: 1.525155823564309
Energy: 1.4339165556071498
Energy: 1.525155823564309
Energy: 1.4339165556071498
Energy: 1.525155823564309
Energy: 1.4339165556071498
Energy: 1.380152836573567
Energy: 1.5254701077841009
Energy: 1.380152836573567
Energy: 1.5254701077841009
Energy: 1.380152836573567
Energy: 1.5254701077841009
Energy: 1.5477493096519652
Energy: 1.4491779218038825
Energy: 1.5477493096519652
Energy: 1.4491779218038825
Energy: 1.5477493096519652
Energy: 1.4491779218038825
Energy: 1.4832120635163912
Energy: 1.4124688569096602
Energy: 1.4832120635158195
Energy: 1.4124688569096602
Energy: 1.4832120635163912
Energy: 1.4124688569096602
Energy: 1.4410979147919725
Energy: 1.501310600738498
Energy: 1.4410979147919725
Energy: 1.501310600738498
Energy: 1.4410979147919725
Energy: 1.501310600738498
Energy: 1.4413300125580324
Energy: 1.4973577073743392
Energy: 1.4413300125580324
Energy: 1.4973577073743392
Energy: 1.4413300125580324
Energy: 1.4973577073743392
Energy: 1.5252769999988742
Energy: 1.4091993729129586
Energy: 1.5252769999994467
Energy: 1.4091993729129586
Energy: 1.5252769999994467
Energy: 1.4091993729123866
Energy: 1.3721360716488442
Energy: 1.517338021042068
Energy: 1.3721360716488442
Energy: 1.517338021042068
Energy: 1.3721360716488442
Energy: 1.517338021042068
Energy: 1.3746989007730304
Energy: 1.466397446102609
Energy: 1.3746989007730304
Energy: 1.466397446102037
Energy: 1.3746989007724582
Energy: 1.466397446102609
Energy: 1.5258149546301916
Energy: 1.389736465777991
Energy: 1.5258149546301916
Energy: 1.3897364657774187
Energy: 1.5258149546301916
Energy: 1.389736465777991
Energy: 1.5379946042667159
Energy: 1.4353583994697776
Energy: 1.5379946042661439
Energy: 1.4353583994697776
Energy: 1.5379946042661439
Energy: 1.4353583994697776

minimum gb energy = 1.3721360716488442 eV
minimum distance =  2.26847033207404 Angstroms
sigma value = 33


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

Energy: 0.02084357958349378
Energy: 1.1151991538723545
Energy: 0.0208435795839691
Energy: 1.1151991538723545
Energy: 0.02084357958349378
Energy: 1.1151991538723545
Energy: 0.021917198031128536
Energy: 0.41840726620511565
Energy: 0.021917198031128536
Energy: 0.41840726620511565
Energy: 0.021917198030706027
Energy: 0.41840726620464036
Energy: 1.1156770434599994
Energy: 0.4192944968792895
Energy: 1.1156214342646218
Energy: 0.41929449687553977
Energy: 1.1156468721105028
Energy: 0.4192944968741666
Energy: 0.021917198031128536
Energy: 0.41840726620511565
Energy: 0.021917198031128536
Energy: 0.41840726620464036
Energy: 0.021917198031128536
Energy: 0.41840726620464036

minimum gb energy = 0.02084357958349378 eV
minimum distance =  2.46010653743694 Angstroms
sigma value = 1