Model name: model_name=Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.615000136196613
cohesive_energy=3.540278378030674
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013693122973182644
Energy: 0.7711180609858757
Energy: 0.013693122973182644
Energy: 0.7711180609858757
Energy: 0.013693122973182644
Energy: 0.7711180609858757
Energy: 0.771118060985562
Energy: 0.014066766897503748
Energy: 0.7711180609858757
Energy: 0.014066766897503748
Energy: 0.771118060985562
Energy: 0.014066766897190138
Energy: 0.013693122973182644
Energy: 0.7711180609858757
Energy: 0.013693122972869037
Energy: 0.7711180609858757
Energy: 0.013693122972869037
Energy: 0.7711180609858757
Energy: 0.771118060985562
Energy: 0.014066766897817353
Energy: 0.7711180609858757
Energy: 0.014066766898444572
Energy: 0.771118060985562
Energy: 0.014066766897190138
Energy: 0.013693122972869037
Energy: 0.7711180609858757
Energy: 0.013693122973182644
Energy: 0.7711180609858757
Energy: 0.013693122973182644
Energy: 0.7711180609858757
Energy: 0.771118060985562
Energy: 0.014066766897190138
Energy: 0.7711180609858757
Energy: 0.014066766897503748
Energy: 0.7711180609858757
Energy: 0.014066766897817353

minimum gb energy = 0.013693122972869037 eV
minimum distance =  2.55357902997303 Angstroms
sigma value = 1


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

Energy: 0.9383607479187551
Energy: 0.881762183920005
Energy: 0.93836074791951
Energy: 0.8817621839184953
Energy: 0.9383607479187551
Energy: 0.8817621839177404
Energy: 1.0091887758854952
Energy: 0.821607087227884
Energy: 1.009188775887005
Energy: 0.821607087227884
Energy: 1.0091887758900246
Energy: 0.821607087227884
Energy: 0.8877646937030361
Energy: 0.9277547922053245
Energy: 0.8877646937030361
Energy: 0.9277547922007952
Energy: 0.8877646937030361
Energy: 0.9277547922015501
Energy: 0.9911720314088606
Energy: 0.8618749157237303
Energy: 0.9911720314081056
Energy: 0.8618749157237303
Energy: 0.9911720314081056
Energy: 0.8618749157237303
Energy: 0.8928646033051877
Energy: 0.9376559073440861
Energy: 0.8928646033059424
Energy: 0.9376559073418214
Energy: 0.8928646033051877
Energy: 0.9376559073433313
Energy: 0.9359383263949087
Energy: 0.838667150286989
Energy: 0.9359383263941538
Energy: 0.8386671502877437
Energy: 0.9359383263941538
Energy: 0.8386671502892535
Energy: 0.860941474895328
Energy: 0.9217263011290809
Energy: 0.8609414748968378
Energy: 0.9217263011268162
Energy: 0.8609414748960829
Energy: 0.9217263011290809
Energy: 0.8621573165124309
Energy: 0.9924883922032911
Energy: 0.8621573165116759
Energy: 0.9924883922032911
Energy: 0.8621573165116759
Energy: 0.9924883922025362
Energy: 0.9538067051377559
Energy: 0.9281887200108808
Energy: 0.9538067051377559
Energy: 0.9281887200101259
Energy: 0.9538067051377559
Energy: 0.9281887200108808
Energy: 0.8117188665814873
Energy: 0.9796252500876256
Energy: 0.8117188665814873
Energy: 0.9796252500898902
Energy: 0.8117188665822425
Energy: 0.9796252500883804
Energy: 0.9276418772206786
Energy: 0.8381579828220248
Energy: 0.9276418772206786
Energy: 0.8381579828220248
Energy: 0.9276418772206786
Energy: 0.8381579828220248
Energy: 0.7944568861852148
Energy: 0.9557088636270624
Energy: 0.7944568861852148
Energy: 0.9557088636255525
Energy: 0.7944568861852148
Energy: 0.9557088636210231
Energy: 1.0198614346141956
Energy: 0.7892423482748657
Energy: 1.0198614346157053
Energy: 0.7892423482748657
Energy: 1.019861434617215
Energy: 0.7892423482748657
Energy: 0.8519825584762175
Energy: 0.8691383306601808
Energy: 0.8519825584762175
Energy: 0.8691383306601808
Energy: 0.8519825584762175
Energy: 0.8691383306601808
Energy: 1.0399039456617996
Energy: 0.8221812609130232
Energy: 1.0399039456610446
Energy: 0.8221812609130232
Energy: 1.0399039456617996
Energy: 0.8221812609130232
Energy: 1.0398463485927567
Energy: 0.9359151795393029
Energy: 1.0398463485927567
Energy: 0.9359151795408125
Energy: 1.0398463485927567
Energy: 0.9359151795393029
Energy: 0.9123254128003201
Energy: 0.9056704075072599
Energy: 0.9123254128003201
Energy: 0.905670407506505
Energy: 0.9123254127980553
Energy: 0.9056704075057501
Energy: 0.9123668133113753
Energy: 0.8707124664967457
Energy: 0.9123668133091106
Energy: 0.8707124664959908
Energy: 0.9123668133083557
Energy: 0.8707124664967457
Energy: 0.9003456664798037
Energy: 0.8614972213895309
Energy: 0.9003456664798037
Energy: 0.8614972213902856
Energy: 0.9003456664798037
Energy: 0.8614972213895309
Energy: 0.9381450789593269
Energy: 0.8385799073870775
Energy: 0.9381450789600816
Energy: 0.8385799073855678
Energy: 0.9381450789608365
Energy: 0.8385799073848128
Energy: 0.8315121202782637
Energy: 0.9886550950213119
Energy: 0.8315121202782637
Energy: 0.9886550950205569
Energy: 0.8315121202782637
Energy: 0.9886550950190471
Energy: 0.9401228937072612
Energy: 0.9234585341900097
Energy: 0.9401228937080162
Energy: 0.9234585341907646
Energy: 0.9401228937065063
Energy: 0.9234585341900097
Energy: 0.8066995394295996
Energy: 0.9934874874627471
Energy: 0.8066995394295996
Energy: 0.9934874874612373
Energy: 0.8066995394288444
Energy: 0.9934874874612373

minimum gb energy = 0.7892423482748657 eV
minimum distance =  2.2995389395934 Angstroms
sigma value = 33


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

Energy: 0.9916492642359228
Energy: 0.9698135030229917
Energy: 0.9916492642363521
Energy: 0.9698135030229917
Energy: 0.9916492642363521
Energy: 0.969813503022133
Energy: 0.9675012614011747
Energy: 0.8703154607662894
Energy: 0.9675012614020333
Energy: 0.8703154607671484
Energy: 0.967501261401604
Energy: 0.8703154607658601
Energy: 0.8150165312229969
Energy: 0.8699030697002992
Energy: 0.8150165312238556
Energy: 0.8699030697002992
Energy: 0.8150165312229969
Energy: 0.8699030697007287
Energy: 0.9515634685674773
Energy: 0.9511001999901365
Energy: 0.9515634685661891
Energy: 0.9511001999905659
Energy: 0.9515634685666184
Energy: 0.9511001999871307
Energy: 0.8932535813245492
Energy: 0.914672361216699
Energy: 0.8932535813249786
Energy: 0.914672361215411
Energy: 0.8932535813249786
Energy: 0.9146723612175578
Energy: 0.8544481752492218
Energy: 0.8147773078178385
Energy: 0.8544481752487924
Energy: 0.8147773078186972
Energy: 0.854448175248363
Energy: 0.8147773078186972
Energy: 0.974366993865192
Energy: 0.9378775393458539
Energy: 0.9743669938617571
Energy: 0.9378775393480008
Energy: 0.9743669938600394
Energy: 0.9378775393449952
Energy: 0.7941588751955277
Energy: 0.99028205845511
Energy: 0.7941588751955277
Energy: 0.9902820584594036
Energy: 0.7941588751959572
Energy: 0.9902820584538218
Energy: 0.8341300900619285
Energy: 0.8173812936701205
Energy: 0.8341300900614992
Energy: 0.8173812936705498
Energy: 0.8341300900619285
Energy: 0.8173812936705498
Energy: 0.7998172932101101
Energy: 0.985723189909759
Energy: 0.7998172932096808
Energy: 0.9857231899093297
Energy: 0.7998172932101101
Energy: 0.9857231899093297
Energy: 0.8634209470300535
Energy: 0.8013850630595277
Energy: 0.8634202846508252
Energy: 0.801385063059957
Energy: 0.8634188527618231
Energy: 0.8013850630595277
Energy: 0.8151458423147552
Energy: 0.8664693506832662
Energy: 0.8151458423143259
Energy: 0.8664693506836956
Energy: 0.8151458423147552
Energy: 0.8664693506836956
Energy: 0.9391917544090969
Energy: 0.796992689818175
Energy: 0.9391917544078086
Energy: 0.7969926898177456
Energy: 0.9391917544056617
Energy: 0.7969926898177456
Energy: 0.9465711899977578
Energy: 0.9722921909435174
Energy: 0.9465711899981872
Energy: 0.9722921909426587
Energy: 0.9465711899977578
Energy: 0.9722921909426587
Energy: 0.9068425904192817
Energy: 0.8706777338168049
Energy: 0.9068425904201405
Energy: 0.8706777338159462
Energy: 0.9068425904188524
Energy: 0.8706777338185224
Energy: 0.8148136056111229
Energy: 0.8700713235648733
Energy: 0.8148136056115522
Energy: 0.8700713235648733
Energy: 0.8148136056119817
Energy: 0.8700713235661613
Energy: 0.9527960473512858
Energy: 0.9518534884383534
Energy: 0.9527960473508563
Energy: 0.951853488439212
Energy: 0.9527960473491389
Energy: 0.951853488439212
Energy: 0.892808067145068
Energy: 0.8144770994043635
Energy: 0.8928080671437799
Energy: 0.8144770994043635
Energy: 0.8928080671476444
Energy: 0.8144770994035048
Energy: 0.8566283066999203
Energy: 0.8613848890215462
Energy: 0.8566283066999203
Energy: 0.8613848890198287
Energy: 0.8566283066999203
Energy: 0.8613848890206875
Energy: 0.9704184242861433
Energy: 0.9401583620671518
Energy: 0.9704184242870021
Energy: 0.9401583620671518
Energy: 0.9704184242865727
Energy: 0.9401583620667224
Energy: 0.7923790444933955
Energy: 1.0305772949452368
Energy: 0.7923790444933955
Energy: 1.0305772949456662
Energy: 0.7923790444938248
Energy: 1.030577294946525
Energy: 0.8704635873101718
Energy: 0.8173413395180072
Energy: 0.8704635873110307
Energy: 0.8173413395180072
Energy: 0.870463587313607
Energy: 0.8173413395175779
Energy: 0.7983571300289213
Energy: 0.9808689599589856
Energy: 0.7983571300293506
Energy: 0.9808689599568388
Energy: 0.79835713002978
Energy: 0.980868959959415
Energy: 1.003012171028909
Energy: 0.8974166865297915
Energy: 1.0030121710259035
Energy: 0.8974166865297915
Energy: 1.0030121710280504
Energy: 0.8974166865297915
Energy: 0.8149032858153624
Energy: 0.8552096581597749
Energy: 0.8149032858149331
Energy: 0.8552096581589163
Energy: 0.8149032858153624
Energy: 0.8552096581589163
Energy: 0.9906832229893152
Energy: 0.9545862143735676
Energy: 0.9906832229901739
Energy: 0.9545862143706009
Energy: 0.9906832229893152
Energy: 0.9545862143735676
Energy: 0.990345333418249
Energy: 0.957545844079428
Energy: 0.9903453334178197
Energy: 0.9575458440828631
Energy: 0.9903453334195372
Energy: 0.9575458440828631
Energy: 0.8146478284591107
Energy: 0.8707701793724391
Energy: 0.8146478284586812
Energy: 0.8707701793707214
Energy: 0.8146478284586812
Energy: 0.8707701793715804
Energy: 0.982544818385776
Energy: 0.8729464363847362
Energy: 0.9825448183866349
Energy: 0.8729464363847362
Energy: 0.9825448183866349
Energy: 0.8729464363847362
Energy: 0.7983195010981452
Energy: 0.8636736455538455
Energy: 0.7983195010985747
Energy: 0.8636736227917535
Energy: 0.7983195010977159
Energy: 0.8636735632356454
Energy: 0.8927263125207985
Energy: 0.8175011464852252
Energy: 0.8927263125220866
Energy: 0.8175011464852252
Energy: 0.8927263125165046
Energy: 0.8175011464852252
Energy: 0.795795484325795
Energy: 0.9401086762430331
Energy: 0.795795484325795
Energy: 0.94010867624518
Energy: 0.795795484325795
Energy: 0.9401086762413154
Energy: 0.9697409124657191
Energy: 0.9401193501347004
Energy: 0.9697409124652898
Energy: 0.9401193501347004
Energy: 0.969740912464431
Energy: 0.9401193501342711
Energy: 0.8725199274382703
Energy: 0.9071493109184295
Energy: 0.8725199274374117
Energy: 0.9071493109180002
Energy: 0.872519927436982
Energy: 0.9071493109175708
Energy: 0.8701554931755846
Energy: 0.8149402419599334
Energy: 0.8701554931742965
Energy: 0.8149402419599334
Energy: 0.870155493173867
Energy: 0.8149402419590748
Energy: 0.9552781999050064
Energy: 0.9508113302223055
Energy: 0.9552781999041478
Energy: 0.9508113302227349
Energy: 0.9552781999041478
Energy: 0.9508113302235935
Energy: 0.814725335629495
Energy: 0.8929238762946677
Energy: 0.8147253356307832
Energy: 0.8929238762933795
Energy: 0.814725335631642
Energy: 0.8929238762950971
Energy: 0.8617818296820061
Energy: 0.8545542556860681
Energy: 0.8617818296815768
Energy: 0.8545542556869269
Energy: 0.8617818296820061
Energy: 0.8545542556864975
Energy: 0.9467057633039541
Energy: 0.9732616542309862
Energy: 0.9467057633039541
Energy: 0.9732616542314158
Energy: 0.9467057633035247
Energy: 0.9732616542318452
Energy: 0.9902504758504147
Energy: 0.7926181223409403
Energy: 0.9902504758478384
Energy: 0.7926181223413696
Energy: 0.9902504758512736
Energy: 0.7926181223413696
Energy: 0.8152102543523989
Energy: 0.831580016875858
Energy: 0.8152102543523989
Energy: 0.831580016875858
Energy: 0.8152102543523989
Energy: 0.831580016875858

minimum gb energy = 0.7923790444933955 eV
minimum distance =  2.40168335327135 Angstroms
sigma value = 51


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

Energy: 0.9177530005812814
Energy: 0.9286686899202162
Energy: 0.9177530005812814
Energy: 0.9286686899202162
Energy: 0.9177530005802864
Energy: 0.9286686899202162
Energy: 0.9810295959646345
Energy: 0.8716831805726738
Energy: 0.9810295959646345
Energy: 0.8716831805726738
Energy: 0.9810295959646345
Energy: 0.8716831805726738
Energy: 0.845357880490426
Energy: 0.9214892932604726
Energy: 0.845357880490426
Energy: 0.9214892932604726
Energy: 0.845357880490426
Energy: 0.9214892932604726
Energy: 0.9104471365437766
Energy: 0.8035078006553165
Energy: 0.9104471365427818
Energy: 0.8035078006553165
Energy: 0.9104471365427818
Energy: 0.8035078006553165
Energy: 0.9291758818868799
Energy: 0.8888615032539589
Energy: 0.9291758818868799
Energy: 0.8888615032539589
Energy: 0.9291758818858851
Energy: 0.8888615032549538
Energy: 0.9278862293139912
Energy: 0.8888078039790559
Energy: 0.9278862293149863
Energy: 0.8888078039790559
Energy: 0.9278862293139912
Energy: 0.8888078039800505
Energy: 0.8769721847579588
Energy: 0.8890181688163944
Energy: 0.8769721847579588
Energy: 0.8890181688163944
Energy: 0.8769721847579588
Energy: 0.8890181688163944
Energy: 0.8450687274364338
Energy: 0.8896328644685908
Energy: 0.8450687274364338
Energy: 0.8896328644695857
Energy: 0.8450687274354387
Energy: 0.8896328644576471
Energy: 1.0449765410318967
Energy: 0.7995674614373652
Energy: 1.0449765410318967
Energy: 0.7995674614373652
Energy: 1.0449765410318967
Energy: 0.7995674614373652
Energy: 0.8213041338373788
Energy: 0.9374496427280675
Energy: 0.8213041338363839
Energy: 0.9374496427121497
Energy: 0.8213041338373788
Energy: 0.9374496426564822
Energy: 0.964726712209374
Energy: 0.8033612575328002
Energy: 0.964726712210369
Energy: 0.8033612575328002
Energy: 0.964726712210369
Energy: 0.8033612575328002
Energy: 0.9209515320837792
Energy: 0.9307572621697289
Energy: 0.9209515320837792
Energy: 0.9307572621697289
Energy: 0.9209515320837792
Energy: 0.9307572621697289
Energy: 0.9782231812978133
Energy: 0.8701078539144589
Energy: 0.9782231812948287
Energy: 0.8701078539144589
Energy: 0.9782231812978133
Energy: 0.8701078539154536
Energy: 0.8777887583597462
Energy: 0.8573927874165043
Energy: 0.8777887583597462
Energy: 0.857392787417499
Energy: 0.8777887583597462
Energy: 0.857392787418494
Energy: 0.9199639023243801
Energy: 0.9212558116227536
Energy: 0.919963902325375
Energy: 0.9212558116237485
Energy: 0.919963902325375
Energy: 0.9212558116227536
Energy: 0.9271805573686309
Energy: 0.8888302126063085
Energy: 0.9271805573696259
Energy: 0.8888302126072581
Energy: 0.9271805573686309
Energy: 0.8888302126072581
Energy: 0.9285533067964438
Energy: 0.9651790490528177
Energy: 0.928553306795449
Energy: 0.9651790490528177
Energy: 0.928553306795449
Energy: 0.9651790490528177
Energy: 0.9089415383042211
Energy: 0.8930195024908554
Energy: 0.908941538305216
Energy: 0.8930195024898606
Energy: 0.908941538305216
Energy: 0.8930195024908554

minimum gb energy = 0.7995674614373652 eV
minimum distance =  2.29547382577958 Angstroms
sigma value = 19


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

Energy: 0.7613854835287465
Energy: 0.7705356260865669
Energy: 0.7613854835281564
Energy: 0.7705356260859768
Energy: 0.7613854835281564
Energy: 0.7705356260871571
Energy: 0.8438396133008563
Energy: 0.9216373778327693
Energy: 0.8438396133008563
Energy: 0.9216373778333594
Energy: 0.8438396133026266
Energy: 0.9216373778327693
Energy: 0.7279964828170647
Energy: 0.9194624112027864
Energy: 0.7279964828170647
Energy: 0.919462411205737
Energy: 0.7279964828170647
Energy: 0.9194624112063271
Energy: 0.7977356765166583
Energy: 0.7280099208518549
Energy: 0.7977356765166583
Energy: 0.7280099208518549
Energy: 0.7977356765160684
Energy: 0.7280099208518549
Energy: 0.749483790154017
Energy: 0.758915936991003
Energy: 0.749483790154607
Energy: 0.7589159369904128
Energy: 0.749483790154017
Energy: 0.758915936991003
Energy: 0.7494745974866406
Energy: 0.7587995723884379
Energy: 0.7494745974860505
Energy: 0.7587995723884379
Energy: 0.7494745974860505
Energy: 0.7587995723878477
Energy: 0.7974948365596245
Energy: 0.7280832130771312
Energy: 0.7974948365596245
Energy: 0.7280832130771312
Energy: 0.7974948365596245
Energy: 0.7280832130771312
Energy: 0.727960606926552
Energy: 0.9193798843542068
Energy: 0.727960606926552
Energy: 0.9193798843542068
Energy: 0.727960606926552
Energy: 0.9193798843542068
Energy: 0.8436879373624897
Energy: 0.9214615885831098
Energy: 0.8436879373624897
Energy: 0.9214615885831098
Energy: 0.8436879373613094
Energy: 0.9214615885825197
Energy: 0.7613854835281564
Energy: 0.7705356260865669
Energy: 0.7613854835287465
Energy: 0.7705356260865669
Energy: 0.7613854835281564
Energy: 0.7705356260865669
Energy: 0.8438396133020365
Energy: 0.9216373778333594
Energy: 0.8438396133020365
Energy: 0.9216373778327693
Energy: 0.8438396133002661
Energy: 0.9216373778333594
Energy: 0.7279964828164747
Energy: 0.9194624112027864
Energy: 0.7279964828164747
Energy: 0.9194624112051469
Energy: 0.7279964828164747
Energy: 0.9194624112069172
Energy: 0.7977356765166583
Energy: 0.7280099208518549
Energy: 0.7977356765166583
Energy: 0.7280099208512648
Energy: 0.7977356765160684
Energy: 0.7280099208518549
Energy: 0.749483790154017
Energy: 0.7589159369904128
Energy: 0.749483790154607
Energy: 0.7589159369898226
Energy: 0.749483790154017
Energy: 0.7589159369904128
Energy: 0.7494745974860505
Energy: 0.7587995723872576
Energy: 0.7494745974866406
Energy: 0.7587995723872576
Energy: 0.7494745974866406
Energy: 0.7587995723866675
Energy: 0.7974948365596245
Energy: 0.7280832130771312
Energy: 0.7974948365590344
Energy: 0.7280832130771312
Energy: 0.7974948365596245
Energy: 0.7280832130771312
Energy: 0.727960606926552
Energy: 0.9193798843542068
Energy: 0.727960606926552
Energy: 0.9193798843536167
Energy: 0.727960606926552
Energy: 0.9193798843547969
Energy: 0.8436879373613094
Energy: 0.9214615885825197
Energy: 0.8436879373624897
Energy: 0.9214615885825197
Energy: 0.8436879373624897
Energy: 0.9214615885825197
Energy: 0.7613854835287465
Energy: 0.7705356260865669
Energy: 0.7613854835281564
Energy: 0.7705356260865669
Energy: 0.7613854835281564
Energy: 0.7705356260865669
Energy: 0.8438396133032169
Energy: 0.9216373778333594
Energy: 0.8438396133026266
Energy: 0.9216373778339495
Energy: 0.8438396133020365
Energy: 0.9216373778327693
Energy: 0.7279964828170647
Energy: 0.9194624112039667
Energy: 0.7279964828164747
Energy: 0.919462411205737
Energy: 0.7279964828164747
Energy: 0.9194624112063271
Energy: 0.7977356765160684
Energy: 0.7280099208518549
Energy: 0.7977356765166583
Energy: 0.7280099208518549
Energy: 0.7977356765166583
Energy: 0.7280099208518549
Energy: 0.749483790154607
Energy: 0.758915936991003
Energy: 0.749483790154017
Energy: 0.758915936991003
Energy: 0.749483790154017
Energy: 0.7589159369904128
Energy: 0.7494745974860505
Energy: 0.7587995723866675
Energy: 0.7494745974860505
Energy: 0.7587995723872576
Energy: 0.7494745974860505
Energy: 0.7587995723872576
Energy: 0.7974948365590344
Energy: 0.7280832130771312
Energy: 0.7974948365596245
Energy: 0.7280832130771312
Energy: 0.7974948365590344
Energy: 0.7280832130771312
Energy: 0.727960606926552
Energy: 0.9193798843542068
Energy: 0.7279606069259618
Energy: 0.9193798843536167
Energy: 0.727960606926552
Energy: 0.9193798843542068
Energy: 0.8436879373607192
Energy: 0.9214615885825197
Energy: 0.8436879373618995
Energy: 0.9214615885825197
Energy: 0.8436879373618995
Energy: 0.9214615885825197
Energy: 0.7613854835281564
Energy: 0.7705356260865669
Energy: 0.7613854835287465
Energy: 0.7705356260865669
Energy: 0.7613854835281564
Energy: 0.7705356260865669
Energy: 0.8438396133008563
Energy: 0.9216373778321791
Energy: 0.8438396133002661
Energy: 0.9216373778333594
Energy: 0.8438396133014464
Energy: 0.9216373778339495
Energy: 0.7279964828164747
Energy: 0.9194624112021962
Energy: 0.7279964828170647
Energy: 0.919462411205737
Energy: 0.7279964828164747
Energy: 0.919462411205737

minimum gb energy = 0.7279606069259618 eV
minimum distance =  2.31076265394369 Angstroms
sigma value = 27


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

Energy: 0.7527099141195186
Energy: 0.7293578768598781
Energy: 0.7527099141195186
Energy: 0.7293578768598781
Energy: 0.7527099141209642
Energy: 0.7293578768598781
Energy: 0.8615306535109771
Energy: 0.7582479796473316
Energy: 0.8615306535109771
Energy: 0.7582479796473316
Energy: 0.8615306535095316
Energy: 0.7582479796473316
Energy: 0.7557024519301078
Energy: 0.8382857414393117
Energy: 0.7557024519301078
Energy: 0.8382857414393117
Energy: 0.7557024519301078
Energy: 0.8382857414393117
Energy: 0.8441003245955453
Energy: 0.7085934168377702
Energy: 0.8441003245969908
Energy: 0.7085934168377702
Energy: 0.8441003245969908
Energy: 0.7085934168377702
Energy: 0.8420886245540942
Energy: 0.7086061175772226
Energy: 0.8420886245540942
Energy: 0.7086061175772226
Energy: 0.8420886245555397
Energy: 0.7086061175772226
Energy: 0.8558733854080359
Energy: 0.8932286847292485
Energy: 0.8558733854094814
Energy: 0.8932286847292485
Energy: 0.8558733854094814
Energy: 0.8932286847292485
Energy: 0.8003452892658225
Energy: 0.7612147121506292
Energy: 0.8003452892658225
Energy: 0.7612147121506292
Energy: 0.8003452892658225
Energy: 0.7612147121506292
Energy: 0.7476703391616487
Energy: 0.7330082395554494
Energy: 0.7476703391616487
Energy: 0.7330082395554494
Energy: 0.7476703391616487
Energy: 0.7330082395554494
Energy: 0.858431901132085
Energy: 0.7546395591114673
Energy: 0.858431901132085
Energy: 0.7546395596272846
Energy: 0.858431901132085
Energy: 0.7546395588282786
Energy: 0.8218731561020035
Energy: 0.8636235147994279
Energy: 0.8218731561020035
Energy: 0.8636235147979824
Energy: 0.8218731561020035
Energy: 0.8636235147965369
Energy: 0.7298263315771455
Energy: 0.709426822190717
Energy: 0.7298263315771455
Energy: 0.709426822190717
Energy: 0.7298263315771455
Energy: 0.709426822190717
Energy: 0.8888463849367946
Energy: 0.8152253542327165
Energy: 0.8888463849367946
Energy: 0.8152253542327165
Energy: 0.8888463849367946
Energy: 0.815225354231271

minimum gb energy = 0.7085934168377702 eV
minimum distance =  2.28979976983568 Angstroms
sigma value = 9


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

Energy: 0.7559141168260377
Energy: 0.7229853522022589
Energy: 0.7559141168260377
Energy: 0.7229853522022589
Energy: 0.7559141168260377
Energy: 0.722985352202665
Energy: 0.7177170146640864
Energy: 0.6931465716830801
Energy: 0.7177170146693665
Energy: 0.6931465716830801
Energy: 0.7177170146624618
Energy: 0.6931465716830801
Energy: 0.6588174686869576
Energy: 0.7358514156329885
Energy: 0.6588174686869576
Energy: 0.7358514156333946
Energy: 0.6588174686869576
Energy: 0.735851415631364
Energy: 0.6798731700661697
Energy: 0.6528200388610694
Energy: 0.6798731700665758
Energy: 0.6528200388610694
Energy: 0.6798731700661697
Energy: 0.6528200388610694
Energy: 0.7180164705705275
Energy: 0.7020080295306584
Energy: 0.7180164705701214
Energy: 0.7020080295306584
Energy: 0.7180164705705275
Energy: 0.7020080295306584
Energy: 0.7351766123429523
Energy: 0.7249385271141394
Energy: 0.7351766123429523
Energy: 0.7249385271145455
Energy: 0.7351766123405153
Energy: 0.7249385271117025
Energy: 0.6936076755059203
Energy: 0.755091940324351
Energy: 0.6936076755059203
Energy: 0.755091940324351
Energy: 0.6936076755067326
Energy: 0.755091940324351
Energy: 0.63897029980929
Energy: 0.7513227742441679
Energy: 0.63897029980929
Energy: 0.7513227742437618
Energy: 0.6389702998088839
Energy: 0.7513227742433557
Energy: 0.733608929476707
Energy: 0.7020234436624079
Energy: 0.733608929476707
Energy: 0.7020234436620018
Energy: 0.7336089294783316
Energy: 0.7020234436624079
Energy: 0.7213787878740414
Energy: 0.8119617598195451
Energy: 0.7213787878793214
Energy: 0.8119617598191391
Energy: 0.7213787878748537
Energy: 0.8119617598167023
Energy: 0.6784284325741613
Energy: 0.6588023191234323
Energy: 0.6784284325737551
Energy: 0.6588023191230261
Energy: 0.678428432573349
Energy: 0.6588023191234323
Energy: 0.6842421637192111
Energy: 0.7302719323575372
Energy: 0.6842421637192111
Energy: 0.730271932359568
Energy: 0.6842421637192111
Energy: 0.7302719323575372
Energy: 0.7156456402120985
Energy: 0.7101651212161596
Energy: 0.7156456402104739
Energy: 0.7101651212133165
Energy: 0.7156456402125047
Energy: 0.7101651212157535
Energy: 0.7515872760410741
Energy: 0.7283675868165854
Energy: 0.7515872760451358
Energy: 0.7283675868161792
Energy: 0.7515872760443234
Energy: 0.7283675868173977
Energy: 0.6656564503030159
Energy: 0.7312540267376426
Energy: 0.6656564503026097
Energy: 0.7312540267372365
Energy: 0.6656564503030159
Energy: 0.7312540267376426
Energy: 0.6650255902079708
Energy: 0.7173061288486345
Energy: 0.6650255902079708
Energy: 0.717306128849853
Energy: 0.6650255902059401
Energy: 0.7173061288478223
Energy: 0.8721608610295387
Energy: 0.6534163615478731
Energy: 0.872160861029945
Energy: 0.6534163615458424
Energy: 0.8721608610295387
Energy: 0.6534163615490916
Energy: 0.6747678879671372
Energy: 0.7002316484224231
Energy: 0.6747678879671372
Energy: 0.700231648422017
Energy: 0.674767887966731
Energy: 0.700231648422017
Energy: 0.6355112623619755
Energy: 0.8807980488153851
Energy: 0.6355112623619755
Energy: 0.8807980488166036
Energy: 0.6355112623615693
Energy: 0.8807980488157912
Energy: 0.7847027081981487
Energy: 0.6470918727167352
Energy: 0.7847027081981487
Energy: 0.6470918727187659
Energy: 0.7847027081985548
Energy: 0.6470918727207967
Energy: 0.6355170315749579
Energy: 0.8808374162312789
Energy: 0.6355170315749579
Energy: 0.8808374162304666
Energy: 0.6355170315749579
Energy: 0.8808374162300604
Energy: 0.6748327950614313
Energy: 0.7000664435261416
Energy: 0.6748327950618375
Energy: 0.7000664435261416
Energy: 0.6748327950610252
Energy: 0.7000664435269538
Energy: 0.8723607298734477
Energy: 0.6536513408651756
Energy: 0.8723607298738539
Energy: 0.6536513408655817
Energy: 0.8723607298738539
Energy: 0.6536513408647694
Energy: 0.6650513598928595
Energy: 0.6948664295689165
Energy: 0.6650513599164164
Energy: 0.6948664295681043
Energy: 0.6650513598299427
Energy: 0.6948664295652611
Energy: 0.66566279668714
Energy: 0.7313672828987227
Energy: 0.6656627966867339
Energy: 0.7313672828979103
Energy: 0.66566279668714
Energy: 0.7313672828987227
Energy: 0.7514996606700657
Energy: 0.7283735876051375
Energy: 0.7514996606692534
Energy: 0.7283735876059497
Energy: 0.7514996606769703
Energy: 0.7283735876047313
Energy: 0.7156021037586326
Energy: 0.7101866559403464
Energy: 0.7156021037602573
Energy: 0.7101866559407526
Energy: 0.7156021037582265
Energy: 0.7101866559407526
Energy: 0.6844609451793925
Energy: 0.6627114963302867
Energy: 0.6844609451793925
Energy: 0.6627114963298806
Energy: 0.6844609451797986
Energy: 0.662711496331099
Energy: 0.6775307934262008
Energy: 0.6587370312454681
Energy: 0.6775307934262008
Energy: 0.6587370312454681
Energy: 0.6775307934266069
Energy: 0.6587370312454681
Energy: 0.7191331920741042
Energy: 0.6383441942682665
Energy: 0.7191331920724796
Energy: 0.6383441942816696
Energy: 0.7191331920741042
Energy: 0.638344194309251
Energy: 0.7337080042989578
Energy: 0.7020364193362635
Energy: 0.7337080042997701
Energy: 0.7020364193366697
Energy: 0.7337080043009886
Energy: 0.7020364193362635
Energy: 0.6388866132497697
Energy: 0.7515774420020278
Energy: 0.6388866132497697
Energy: 0.7515774420024339
Energy: 0.6388866132493635
Energy: 0.7515774420036524
Energy: 0.6936805512678609
Energy: 0.755116197156592
Energy: 0.6936805512690793
Energy: 0.755116197156592
Energy: 0.6936805512662363
Energy: 0.7551161971561858
Energy: 0.7350760015060844
Energy: 0.6751250786621382
Energy: 0.7350760015068967
Energy: 0.6751250786617321
Energy: 0.7350760015073029
Energy: 0.6751250786621382
Energy: 0.7178521998747689
Energy: 0.7019699923359137
Energy: 0.7178521998743628
Energy: 0.7019699923359137
Energy: 0.7178521998739565
Energy: 0.7019699923359137
Energy: 0.6798582632233591
Energy: 0.6527226665085082
Energy: 0.679858263222953
Energy: 0.6527226665085082
Energy: 0.6798582632233591
Energy: 0.6527226665085082
Energy: 0.658753531964545
Energy: 0.7358648657001996
Energy: 0.6587535319653572
Energy: 0.735864865698981
Energy: 0.6587535319653572
Energy: 0.7358648657010118
Energy: 0.7175928818817675
Energy: 0.6950711802411491
Energy: 0.7175928818809552
Energy: 0.6950711802411491
Energy: 0.717592881882986
Energy: 0.6950711802403369
Energy: 0.7559141168264438
Energy: 0.7229853522022589
Energy: 0.7559141168268501
Energy: 0.7229853522022589
Energy: 0.7559141168268501
Energy: 0.7229853522018527
Energy: 0.7177170146697727
Energy: 0.6526054956792727
Energy: 0.7177170146693665
Energy: 0.6526054956788665
Energy: 0.7177170146685542
Energy: 0.6526054956792727
Energy: 0.6588174686865514
Energy: 0.7358514156362377
Energy: 0.6588174686865514
Energy: 0.73585141563705
Energy: 0.6588174686865514
Energy: 0.7358514156362377
Energy: 0.6798731700661697
Energy: 0.6528200388614757
Energy: 0.6798731700665758
Energy: 0.6528200388614757
Energy: 0.6798731700661697
Energy: 0.6528200388614757
Energy: 0.7180164705701214
Energy: 0.7020080295310647
Energy: 0.7180164705709338
Energy: 0.7020080295306584
Energy: 0.7180164705705275
Energy: 0.7020080295306584

minimum gb energy = 0.6355112623615693 eV
minimum distance =  2.35748634837732 Angstroms
sigma value = 57


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

Energy: 0.7116566108690067
Energy: 0.6441166319017994
Energy: 0.3321997753374872
Energy: 0.6441166319017994
Energy: 0.7116566108690067
Energy: 0.6441166319017994
Energy: 0.7332918680422319
Energy: 0.6364973154783613
Energy: 0.7332918680422319
Energy: 0.6363581367617904
Energy: 0.7332918680422319
Energy: 0.6364973154774367
Energy: 0.6798391651242144
Energy: 0.7790450548829939
Energy: 0.6798391651242144
Energy: 0.5873003837778793
Energy: 0.6798391651242144
Energy: 0.7790450548820694
Energy: 0.6460018591180516
Energy: 0.45778596119109494
Energy: 0.6460018591171272
Energy: 0.4577658025163116
Energy: 0.6460018591180516
Energy: 0.45778596119109494
Energy: 0.41263337446904963
Energy: 0.7407140128626369
Energy: 0.41263337446904963
Energy: 0.7407140128617123
Energy: 0.41263337446904963
Energy: 0.7407140128617123
Energy: 0.5836300495981759
Energy: 0.6802881075677885
Energy: 0.33213410270543814
Energy: 0.6802881075677885
Energy: 0.5836300495981759
Energy: 0.6802881075677885
Energy: 0.5834445530111412
Energy: 0.370181138956103
Energy: 0.3321802911176114
Energy: 0.370181138956103
Energy: 0.5834445530111412
Energy: 0.3701811389579521
Energy: 0.7335864451201829
Energy: 0.4178662707637844
Energy: 0.7335864451192583
Energy: 0.4178662707637844
Energy: 0.7335864451201829
Energy: 0.4178662707637844
Energy: 0.6464203503130981
Energy: 0.457779828054017
Energy: 0.6464203503121736
Energy: 0.45777770388773553
Energy: 0.6464203503121736
Energy: 0.457779828054017
Energy: 0.37009453484542965
Energy: 0.780659612049413
Energy: 0.37009453484450505
Energy: 0.780659612049413
Energy: 0.37009453484542965
Energy: 0.780659612049413
Energy: 0.414647066361493
Energy: 0.6369857858737233
Energy: 0.414647066361493
Energy: 0.6369857858737233
Energy: 0.414647066361493
Energy: 0.6369857858737233
Energy: 0.7116566108690067
Energy: 0.6441166319017994
Energy: 0.3321997753374872
Energy: 0.6441166319017994
Energy: 0.7116566108699311
Energy: 0.6441166319027238
Energy: 0.7332918680422319
Energy: 0.6364973154774367
Energy: 0.7332918680413072
Energy: 0.6363581367608657
Energy: 0.7332918680413072
Energy: 0.6364973154774367
Energy: 0.6798391651242144
Energy: 0.7790450548829939
Energy: 0.6798391651242144
Energy: 0.587300383780653
Energy: 0.6798391651242144
Energy: 0.7790450548829939
Energy: 0.6460018591180516
Energy: 0.45778596119017045
Energy: 0.6460018591180516
Energy: 0.4577658025163116
Energy: 0.6460018591180516
Energy: 0.45778596119109494
Energy: 0.41263337446904963
Energy: 0.7407140128617123
Energy: 0.41263337446904963
Energy: 0.7407140128617123
Energy: 0.41263337446904963
Energy: 0.7407140128626369
Energy: 0.5836300495981759
Energy: 0.6802881075677885
Energy: 0.33213410270543814
Energy: 0.6802881075677885
Energy: 0.5836300495981759
Energy: 0.6802881075677885
Energy: 0.5834445530111412
Energy: 0.37018113895887667
Energy: 0.3321802911176114
Energy: 0.370181138956103
Energy: 0.5834445530111412
Energy: 0.3701811389570276
Energy: 0.7335864451201829
Energy: 0.4178662707637844
Energy: 0.7335864451201829
Energy: 0.4178662707637844
Energy: 0.7335864451201829
Energy: 0.4178662707647089

minimum gb energy = 0.33213410270543814 eV
minimum distance =  2.44417990136557 Angstroms
sigma value = 11


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

Energy: 0.5958148791219089
Energy: 0.5823137217425698
Energy: 0.595814879122586
Energy: 0.5823137217337656
Energy: 0.595814879122586
Energy: 0.5823137217412152
Energy: 0.7308486767937139
Energy: 0.6215898595390965
Energy: 0.7308486767950684
Energy: 0.6215898595390965
Energy: 0.7308486767950684
Energy: 0.6215898595397737
Energy: 0.7257813367163757
Energy: 0.8222311907566867
Energy: 0.7257813367163757
Energy: 0.8222311907560095
Energy: 0.7257813367163757
Energy: 0.8222311907566867
Energy: 0.7474567775390442
Energy: 0.5632451935095523
Energy: 0.7474567775397214
Energy: 0.5632451935095523
Energy: 0.7474567775390442
Energy: 0.563245193508875
Energy: 0.5583139087301686
Energy: 0.5411956303717819
Energy: 0.5583139087301686
Energy: 0.5411956303717819
Energy: 0.5583139087294913
Energy: 0.5411956303717819
Energy: 0.674441993921092
Energy: 0.5555587562960219
Energy: 0.6744419939204148
Energy: 0.5555587562966992
Energy: 0.674441993921092
Energy: 0.5555587562966992
Energy: 0.5371449003297094
Energy: 0.5928833735588381
Energy: 0.5371449003303868
Energy: 0.5928833735595154
Energy: 0.5371449003297094
Energy: 0.5928833735595154
Energy: 0.7287413572330267
Energy: 0.5188768973113654
Energy: 0.7287413572330267
Energy: 0.5188768973113654
Energy: 0.7287413572330267
Energy: 0.5188768973113654
Energy: 0.7261981713368192
Energy: 0.5216847175727316
Energy: 0.7261981713361421
Energy: 0.5216847175727316
Energy: 0.7261981713368192
Energy: 0.5216847175727316
Energy: 0.5310993985683261
Energy: 0.7718410228052404
Energy: 0.5310993985683261
Energy: 0.771841022804563
Energy: 0.5310993985683261
Energy: 0.771841022804563
Energy: 0.6853719336339044
Energy: 0.6899471234079935
Energy: 0.685371933633227
Energy: 0.6899471234067006
Energy: 0.6853719336339044
Energy: 0.6899471234073162
Energy: 0.5581685702185696
Energy: 0.5437065906889899
Energy: 0.5581685702206014
Energy: 0.5437065906889899
Energy: 0.5581685702233106
Energy: 0.5437065906889899
Energy: 0.6412134097559538
Energy: 0.5670460568202211
Energy: 0.641213409756631
Energy: 0.5670460568202211
Energy: 0.6412134097559538
Energy: 0.5670460568202211
Energy: 0.710448436660804
Energy: 0.801306304191844
Energy: 0.710448436660804
Energy: 0.8013063041931986
Energy: 0.7104484366621586
Energy: 0.8013063041904896
Energy: 0.7301687180968518
Energy: 0.6235030709749179
Energy: 0.7301687180968518
Energy: 0.6235030709749179
Energy: 0.7301687180961745
Energy: 0.6235030709749179
Energy: 0.5925578360719873
Energy: 0.584361953863399
Energy: 0.5925578360719873
Energy: 0.5843619538627216
Energy: 0.5925578360713102
Energy: 0.5843619538640761
Energy: 0.5924375601745459
Energy: 0.6195579867160967
Energy: 0.5924375601745459
Energy: 0.6195579867154195
Energy: 0.5924375601745459
Energy: 0.6195579867154195
Energy: 0.8380880346990971
Energy: 0.624044051519815
Energy: 0.8380880346997743
Energy: 0.6240440515191377
Energy: 0.8380880346984199
Energy: 0.6240440515218468
Energy: 0.6708213563295138
Energy: 0.5607537135202674
Energy: 0.6708213563315456
Energy: 0.5607537135216217
Energy: 0.670821356330191
Energy: 0.5607537135209445
Energy: 0.5595572959973957
Energy: 0.6493396379973742
Energy: 0.5595572959953639
Energy: 0.6493396379973742
Energy: 0.5595572959919776
Energy: 0.6493396379980514
Energy: 0.5316790199633036
Energy: 0.5576601813065931
Energy: 0.5316790199626265
Energy: 0.5576601813065931
Energy: 0.5316790199639808
Energy: 0.5576601813086249
Energy: 0.5689460531082289
Energy: 0.5918643608241588
Energy: 0.5689460531075515
Energy: 0.5918643608288996
Energy: 0.5689460531089061
Energy: 0.5918643608207728
Energy: 0.638533458256308
Energy: 0.6537493660162198
Energy: 0.638533458256308
Energy: 0.653749366016897
Energy: 0.6385334582549536
Energy: 0.653749366016897
Energy: 0.6573899276928513
Energy: 0.5494853825102638
Energy: 0.6573899276928513
Energy: 0.5494853825109411
Energy: 0.6573899276928513
Energy: 0.5494853825095867
Energy: 0.5317059784911183
Energy: 0.7721819630630155
Energy: 0.5317059784911183
Energy: 0.7721819630575976
Energy: 0.5317059784917957
Energy: 0.7721819630589519
Energy: 1.0009756455934045
Energy: 0.690402407082153
Energy: 1.0009756455934045
Energy: 0.6904024070814757
Energy: 1.0009756455934045
Energy: 0.690402407082153

minimum gb energy = 0.5188768973113654 eV
minimum distance =  2.3531254134008 Angstroms
sigma value = 41


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

Energy: 0.6683503428746425
Energy: 0.6002419736340455
Energy: 0.6683503428730412
Energy: 0.6002419736345794
Energy: 0.6683503428730412
Energy: 0.6002419736340455
Energy: 0.6446076049771083
Energy: 0.636186197611315
Energy: 0.6446076049765745
Energy: 0.6361861976081122
Energy: 0.6446076049797773
Energy: 0.6361861976107812
Energy: 0.6987042526308634
Energy: 0.7006361421518593
Energy: 0.6987042526308634
Energy: 0.7006361421523932
Energy: 0.6987042526324648
Energy: 0.7006361421518593
Energy: 0.6335262469724835
Energy: 0.5943205742057182
Energy: 0.6335262469762201
Energy: 0.5943205742057182
Energy: 0.6335262469724835
Energy: 0.5943205742057182
Energy: 0.5845192026723521
Energy: 0.6261845668437342
Energy: 0.5845192026723521
Energy: 0.6261845668437342
Energy: 0.5845192026723521
Energy: 0.6261845668437342
Energy: 0.7777296359171737
Energy: 0.6427270029012058
Energy: 0.7777296359177074
Energy: 0.6427270029017396
Energy: 0.7777296359171737
Energy: 0.6427270029022734
Energy: 0.5879229842044479
Energy: 0.8510998139878254
Energy: 0.587922984203914
Energy: 0.8510998139872914
Energy: 0.5879229842044479
Energy: 0.8510998139878254
Energy: 0.5722094402364473
Energy: 0.5944711157726231
Energy: 0.5722094402369812
Energy: 0.5944711157726231
Energy: 0.5722094402369812
Energy: 0.5944711157726231
Energy: 0.5887239777942213
Energy: 0.6179372593225545
Energy: 0.5887239777942213
Energy: 0.6179372593225545
Energy: 0.5887239777942213
Energy: 0.6179372593225545
Energy: 0.6331987629264682
Energy: 0.6489633206416151
Energy: 0.6331987629264682
Energy: 0.6489633206416151
Energy: 0.6331987629270018
Energy: 0.6489633206410812
Energy: 0.628911920137119
Energy: 0.6497988792844216
Energy: 0.628911920137653
Energy: 0.6497988792844216
Energy: 0.628911920137119
Energy: 0.6497988792854892
Energy: 0.5658849915418656
Energy: 0.6191014853732189
Energy: 0.5658849915423992
Energy: 0.6191014853695067
Energy: 0.5658849915423992
Energy: 0.619101485371108
Energy: 0.5728321509514805
Energy: 0.5899366356031966
Energy: 0.5728321509509466
Energy: 0.5899366356026627
Energy: 0.5728321509514805
Energy: 0.5899366356026627
Energy: 0.5527951765580948
Energy: 0.6487501091324489
Energy: 0.5527951765580948
Energy: 0.6487501091319152
Energy: 0.5527951765580948
Energy: 0.6487501091319152
Energy: 0.6295724428741097
Energy: 0.643160766298472
Energy: 0.6295724428746435
Energy: 0.6431607663038099
Energy: 0.6295724428746435
Energy: 0.6431607663016747
Energy: 0.5522058981222985
Energy: 0.603027636865245
Energy: 0.5522058981222985
Energy: 0.6030276368492311
Energy: 0.5522058981222985
Energy: 0.6030276368588394
Energy: 0.5764343536458366
Energy: 0.5897994836722145
Energy: 0.5764343536458366
Energy: 0.5897994836722145
Energy: 0.5764343536447691
Energy: 0.5897994836716807
Energy: 0.6010210330677119
Energy: 0.7017448729273884
Energy: 0.6010210330682456
Energy: 0.7017448729279221
Energy: 0.6010210330687795
Energy: 0.7017448729268545
Energy: 0.6440020364767275
Energy: 0.6356003658906153
Energy: 0.6440020364761937
Energy: 0.6356003658975302
Energy: 0.6440020364761937
Energy: 0.6356003658879463
Energy: 0.6290343895207988
Energy: 0.593101853179928
Energy: 0.6290343895224002
Energy: 0.5931018531735226
Energy: 0.6290343895229339
Energy: 0.593101853182597
Energy: 0.5993612888764316
Energy: 0.6362730287588251
Energy: 0.5993612888764316
Energy: 0.6362730287593589
Energy: 0.5993612888764316
Energy: 0.6362730287518856
Energy: 0.6140098313847545
Energy: 0.6977025642138653
Energy: 0.6140098313847545
Energy: 0.6977025642101289
Energy: 0.6140098313858221
Energy: 0.6977025642138653
Energy: 0.633955142704895
Energy: 0.5892615287775912
Energy: 0.633955142704361
Energy: 0.589261528778125
Energy: 0.633955142704361
Energy: 0.589261528778125
Energy: 0.5523046319842645
Energy: 0.6331535262101929
Energy: 0.5523046319837307
Energy: 0.6331535262101929
Energy: 0.5523046319837307
Energy: 0.6331535262101929
Energy: 0.5580132552194471
Energy: 0.77070507127613
Energy: 0.5580132552194471
Energy: 0.7707050712766637
Energy: 0.5580132552194471
Energy: 0.77070507127613
Energy: 0.5890264909672411
Energy: 0.6462124804681831
Energy: 0.589026490967775
Energy: 0.646212480466048
Energy: 0.5890264909688425
Energy: 0.6462124804649805
Energy: 0.5758980372028486
Energy: 0.5892476781885546
Energy: 0.5758980372028486
Energy: 0.5892476781885546
Energy: 0.5758980372028486
Energy: 0.5892476781885546
Energy: 0.5844853288458461
Energy: 0.6256612901465088
Energy: 0.5844853288458461
Energy: 0.6256612901459749
Energy: 0.5844853288463798
Energy: 0.6256612901459749
Energy: 0.6288653879130605
Energy: 0.7589906844277212
Energy: 0.6288653879130605
Energy: 0.7589906844277212
Energy: 0.6288653879125267
Energy: 0.7589906844277212
Energy: 0.6896409700265801
Energy: 0.6133951047043611
Energy: 0.6896409700265801
Energy: 0.6133951047043611
Energy: 0.6896409700265801
Energy: 0.6133951047038272
Energy: 0.5683387754753706
Energy: 0.7370574154403959
Energy: 0.5683387754753706
Energy: 0.7370574154403959
Energy: 0.5683387754753706
Energy: 0.7370574154403959
Energy: 0.5915285324177187
Energy: 0.6200672682823275
Energy: 0.5915285324177187
Energy: 0.6200672682823275
Energy: 0.5915285324177187
Energy: 0.6200672682823275
Energy: 0.5573156626265243
Energy: 0.6062386950054395
Energy: 0.5573156626265243
Energy: 0.6062386950049058
Energy: 0.5573156626265243
Energy: 0.6062386950054395

minimum gb energy = 0.5522058981222985 eV
minimum distance =  2.37787042871222 Angstroms
sigma value = 33


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

Energy: 0.6957608629966824
Energy: 0.6169818040464179
Energy: 0.6957608629970571
Energy: 0.6169818040467926
Energy: 0.6957608629970571
Energy: 0.6169818040464179
Energy: 0.6899491636863011
Energy: 0.5912109170333122
Energy: 0.6899491636859265
Energy: 0.5912109170329376
Energy: 0.6899491636859265
Energy: 0.5912109170325629
Energy: 0.6376838191794931
Energy: 0.7130080341799443
Energy: 0.6376838191794931
Energy: 0.7130080341784458
Energy: 0.6376838191794931
Energy: 0.7130080341833158
Energy: 0.6334884405709718
Energy: 0.6070154293619215
Energy: 0.6334884405709718
Energy: 0.6070154293619215
Energy: 0.6334884405709718
Energy: 0.6070154293619215
Energy: 0.6386541027338609
Energy: 0.6738386488241982
Energy: 0.6386541027334863
Energy: 0.673838648821576
Energy: 0.6386541027342355
Energy: 0.6738386488182042
Energy: 0.8841059749309742
Energy: 0.6239530855238107
Energy: 0.8841059749309742
Energy: 0.6239530855234362
Energy: 0.8841059749309742
Energy: 0.6239530855238107
Energy: 0.6190993984774726
Energy: 0.681094675841575
Energy: 0.6190993984774726
Energy: 0.6810946758426989
Energy: 0.6190993984774726
Energy: 0.6810946758419496
Energy: 0.6640932554089292
Energy: 0.6775348077545764
Energy: 0.6640932554089292
Energy: 0.6775348077542018
Energy: 0.6640932554104275
Energy: 0.6775348077545764
Energy: 0.7138725299727922
Energy: 0.6405393363699294
Energy: 0.7138725299724175
Energy: 0.6405393363699294
Energy: 0.7138725299731666
Energy: 0.6405393363695547
Energy: 0.9297776874121216
Energy: 0.6099662332803657
Energy: 0.9297776874124963
Energy: 0.6099662332807403
Energy: 0.9297776874124963
Energy: 0.6099662332807403
Energy: 0.6538626480166624
Energy: 0.6525570676457496
Energy: 0.6538626480166624
Energy: 0.6525570676461243
Energy: 0.6538626480166624
Energy: 0.6525570676457496
Energy: 0.6739163465640523
Energy: 0.6071508963105124
Energy: 0.6739163421979325
Energy: 0.6071508963105124
Energy: 0.6739163409910454
Energy: 0.6071508963105124
Energy: 0.6399071517973349
Energy: 0.7138166519518909
Energy: 0.6399071517973349
Energy: 0.7138166519518909
Energy: 0.6399071517977094
Energy: 0.7138166519541387
Energy: 0.6709958669834591
Energy: 0.6591478031333844
Energy: 0.6709958669842083
Energy: 0.6591478031330098
Energy: 0.6709958669842083
Energy: 0.6591478031333844
Energy: 0.662255285819883
Energy: 0.6177051591667286
Energy: 0.6622552858195083
Energy: 0.6177051591671032
Energy: 0.6622552858195083
Energy: 0.6177051591667286
Energy: 0.6286041592404816
Energy: 0.7114038765607509
Energy: 0.6286041592408562
Energy: 0.7114038765603762
Energy: 0.6286041592401069
Energy: 0.7114038765555061
Energy: 0.6745095352386781
Energy: 0.5998152652927751
Energy: 0.6745095352394274
Energy: 0.5998152652942735
Energy: 0.6745095352293127
Energy: 0.5998152652938988
Energy: 0.603271798470134
Energy: 0.63392701736564
Energy: 0.603271798470134
Energy: 0.6339270173652655
Energy: 0.603271798470134
Energy: 0.6339270173652655
Energy: 0.7158626213971675
Energy: 0.6373988179028924
Energy: 0.7158626214012883
Energy: 0.6373988179028924
Energy: 0.7158626214001645
Energy: 0.6373988179028924
Energy: 0.7167747156498695
Energy: 0.6460113416342749
Energy: 0.7167747156487456
Energy: 0.6460113416342749
Energy: 0.7167747156476217
Energy: 0.6460113416339002
Energy: 0.6235989365219047
Energy: 0.656934626195671
Energy: 0.6235989365219047
Energy: 0.656934626195671
Energy: 0.62359893652153
Energy: 0.656934626194547
Energy: 0.5876073053675829
Energy: 0.6906959434132306
Energy: 0.5876073053672084
Energy: 0.6906959434136051
Energy: 0.5876073053672084
Energy: 0.6906959434132306
Energy: 0.6623706274982378
Energy: 0.5830256519176766
Energy: 0.6623706274997022
Energy: 0.5830256519143051
Energy: 0.6623706274974885
Energy: 0.5830256519161783
Energy: 0.6124506076003667
Energy: 0.6665067088829498
Energy: 0.6124506076003667
Energy: 0.666506708886696
Energy: 0.6124506076007413
Energy: 0.666506708884823
Energy: 0.6735027009509661
Energy: 0.5997068674223024
Energy: 0.6735027009550869
Energy: 0.5997068674215532
Energy: 0.6735027009505914
Energy: 0.5997068674215532
Energy: 0.6209375151176336
Energy: 0.6666226758139088
Energy: 0.6209375151172589
Energy: 0.6666226758206177
Energy: 0.6209375151172589
Energy: 0.6666226758157818
Energy: 0.6882354837881437
Energy: 0.6215001321557507
Energy: 0.6882354837881437
Energy: 0.6215001321565
Energy: 0.6882354837881437
Energy: 0.6215001321561253
Energy: 0.671671295330431
Energy: 0.6130150144943217
Energy: 0.671671295330431
Energy: 0.6130150144943217
Energy: 0.671671295330431
Energy: 0.6130150144946964
Energy: 0.6406575505092217
Energy: 0.713586311196816
Energy: 0.6406575505092217
Energy: 0.713586311195692
Energy: 0.6406575505092217
Energy: 0.713586311196816
Energy: 0.6068633308706186
Energy: 0.9286728899932529
Energy: 0.606863330871368
Energy: 0.9286728899932529
Energy: 0.606863330871368
Energy: 0.9286728899940022
Energy: 0.6310997173192258
Energy: 0.6007756833667667
Energy: 0.6310997173192258
Energy: 0.600775683366392
Energy: 0.6310997173188512
Energy: 0.6007756833671414
Energy: 0.6126210041370443
Energy: 0.6736152961938885
Energy: 0.6126210041374188
Energy: 0.6736152964548959
Energy: 0.6126210041370443
Energy: 0.673615296096181
Energy: 0.7182351991914516
Energy: 0.6189815523507525
Energy: 0.7182351991914516
Energy: 0.6189815523518764
Energy: 0.7182351991918262
Energy: 0.6189815523507525
Energy: 0.655510471667474
Energy: 0.6658235512564067
Energy: 0.6555104716670994
Energy: 0.6658235512560322
Energy: 0.6555104716667247
Energy: 0.6658235512564067
Energy: 0.6553912240623373
Energy: 0.6657799052056532
Energy: 0.6553912240623373
Energy: 0.6657799052060279
Energy: 0.6553912240619627
Energy: 0.6657799052056532
Energy: 0.7184319601501561
Energy: 0.6189534747161458
Energy: 0.7184319601509053
Energy: 0.618953474715022
Energy: 0.7184319601494069
Energy: 0.6189534747157712
Energy: 0.612624584946525
Energy: 0.6738639909746521
Energy: 0.6126245849468996
Energy: 0.6738639909720298
Energy: 0.6126245849468996
Energy: 0.6738639909379736
Energy: 0.6310737960319386
Energy: 0.6008984596238216
Energy: 0.6310737960315641
Energy: 0.6008984596241961
Energy: 0.6310737960319386
Energy: 0.6008984596241961
Energy: 0.6068807958041736
Energy: 0.9285361916441184
Energy: 0.6068807958041736
Energy: 0.92853619164262
Energy: 0.6068807958045482
Energy: 0.9285361916414963
Energy: 0.640604003121032
Energy: 0.7135533750120853
Energy: 0.640604003121032
Energy: 0.7135533750124599
Energy: 0.640604003121032
Energy: 0.7135533750113361
Energy: 0.6579435821466436
Energy: 0.6129546022684731
Energy: 0.6579435821470181
Energy: 0.6129546022684731
Energy: 0.6579435821466436
Energy: 0.6129546022688477
Energy: 0.6886131419902336
Energy: 0.6215699766758639
Energy: 0.688613141989859
Energy: 0.6215699766762385
Energy: 0.6886131419894844
Energy: 0.6215699766758639
Energy: 0.6210707187964296
Energy: 0.6665267076438772
Energy: 0.621070718796055
Energy: 0.6665267076539919
Energy: 0.6210707187964296
Energy: 0.666526707650995
Energy: 0.6736070320105205
Energy: 0.5996107154048574
Energy: 0.6736070320101459
Energy: 0.5996107154048574
Energy: 0.6736070320101459
Energy: 0.5996107154048574
Energy: 0.6124252173660285
Energy: 0.666823907821925
Energy: 0.6124252173667777
Energy: 0.6668239078241727
Energy: 0.6124252173664032
Energy: 0.6668239078241727
Energy: 0.6624604618518962
Energy: 0.5829353533584077
Energy: 0.6624604618526455
Energy: 0.5829353533535377
Energy: 0.6624604618522708
Energy: 0.5829353533576586
Energy: 0.5878546059071661
Energy: 0.6910445205197631
Energy: 0.5878546059075408
Energy: 0.6910445205197631
Energy: 0.5878546059079154
Energy: 0.6910445205197631

minimum gb energy = 0.5829353533535377 eV
minimum distance =  2.37590901580672 Angstroms
sigma value = 67


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

Energy: 0.7165604927673916
Energy: 0.6623361261609463
Energy: 0.7165604927671356
Energy: 0.6623361261612022
Energy: 0.7165604927671356
Energy: 0.6623361261612022
Energy: 0.6967796208233035
Energy: 0.6077423710283921
Energy: 0.6967796208235595
Energy: 0.607742371028136
Energy: 0.6967796208235595
Energy: 0.607742371028136
Energy: 0.6498198060538478
Energy: 0.7804758799082527
Energy: 0.6498198060528521
Energy: 0.780475879907513
Energy: 0.6498198060550996
Energy: 0.780475879907513
Energy: 0.6967599360364145
Energy: 0.607739750677222
Energy: 0.6967599360364145
Energy: 0.6077397506777341
Energy: 0.6967599360364145
Energy: 0.6077397506769658
Energy: 0.7165604927676477
Energy: 0.6623361261612022
Energy: 0.7165604927671356
Energy: 0.6623361261612022
Energy: 0.7165604927673916
Energy: 0.6623361261612022
Energy: 0.6967796208233035
Energy: 0.607742371028136
Energy: 0.6967796208233035
Energy: 0.6077423710279084
Energy: 0.6967796208235595
Energy: 0.607742371028136
Energy: 0.6498198060525959
Energy: 0.7804758799080251
Energy: 0.6498198060533358
Energy: 0.7804758799077691
Energy: 0.6498198060535917
Energy: 0.7804758799077691

minimum gb energy = 0.6077397506769658 eV
minimum distance =  2.38460651481456 Angstroms
sigma value = 3


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

Energy: 0.9721914191910401
Energy: 0.798553273024769
Energy: 0.8395657413945092
Energy: 0.7985532730257601
Energy: 0.9721914191907303
Energy: 0.798553273024769
Energy: 0.8009117712476241
Energy: 0.7567604842491582
Energy: 0.8009117712476241
Energy: 0.7567604842491582
Energy: 0.800911771247934
Energy: 0.7567604842488483
Energy: 0.7674744097217107
Energy: 0.815021100254367
Energy: 0.7696957785770366
Energy: 0.8150211002536857
Energy: 0.7674744097220204
Energy: 0.815021100254367
Energy: 0.7917906267292985
Energy: 0.7860127626027787
Energy: 0.7917906267292985
Energy: 0.7860127626020975
Energy: 0.7917906267279358
Energy: 0.7860127626020975
Energy: 0.8059794967140969
Energy: 0.8105493164221266
Energy: 0.8059794967147784
Energy: 0.8105493164194008
Energy: 0.8059794967137871
Energy: 0.8105493164248522
Energy: 0.7729838980426772
Energy: 0.7838469322705598
Energy: 0.7729838980423055
Energy: 0.7838469322695067
Energy: 0.7729838980433585
Energy: 0.7838469322701882
Energy: 0.8026740466987997
Energy: 0.8129535828912795
Energy: 0.8026144133598397
Energy: 0.812953582890598
Energy: 0.8026740466978086
Energy: 0.8129535828909077
Energy: 0.7263940859460734
Energy: 0.8212368382858097
Energy: 0.7263940859433476
Energy: 0.8212368382854379
Energy: 0.726394085940622
Energy: 0.8212368382881636
Energy: 0.7938998777525121
Energy: 0.7759198864876063
Energy: 0.7938998777518307
Energy: 0.7759198864872346
Energy: 0.7938998777528837
Energy: 0.775919886489279
Energy: 0.8065896182264743
Energy: 0.7837225855512304
Energy: 0.806589618225483
Energy: 0.7837225855519119
Energy: 0.806589618225483
Energy: 0.7837225855519119
Energy: 0.7602471566547143
Energy: 0.8555106174990957
Energy: 0.7602471566560772
Energy: 0.8555106174994674
Energy: 0.7602471566519887
Energy: 0.8555106174994674
Energy: 0.758316410369761
Energy: 0.8326009054695872
Energy: 0.758316675890234
Energy: 0.8326009054675428
Energy: 0.7583164103690797
Energy: 0.8326009054685961
Energy: 0.8228549546790205
Energy: 0.7440940205355627
Energy: 0.8228549546766045
Energy: 0.744094020532837
Energy: 0.8228549546786487
Energy: 0.7440940205338282
Energy: 0.7800893397717231
Energy: 0.7477532194099535
Energy: 0.78008933977067
Energy: 0.7477532194283519
Energy: 0.7800893397710416
Energy: 0.7477532194283519
Energy: 0.8300480349834146
Energy: 0.7648196411277983
Energy: 0.8300480329158619
Energy: 0.7648196411277983
Energy: 0.8300480338953105
Energy: 0.7648196411261257
Energy: 0.7753248854639943
Energy: 0.7649851502257794
Energy: 0.7753248854674014
Energy: 0.7649851502254698
Energy: 0.775324885465357
Energy: 0.7649851502254698
Energy: 0.8372570503211684
Energy: 0.7410372292105192
Energy: 0.8372570503204868
Energy: 0.7410372292105192
Energy: 0.8372570503167082
Energy: 0.7410372292108288
Energy: 0.7774512388905568
Energy: 0.7471925286356963
Energy: 0.7774512388895036
Energy: 0.7471925286309264
Energy: 0.7774512388901852
Energy: 0.7471925286363779
Energy: 0.7866715560029545
Energy: 0.8323083467032202
Energy: 0.7866715560005385
Energy: 0.8323083467035919
Energy: 0.7866715559998572
Energy: 0.8323083467039017
Energy: 0.7580924162299814
Energy: 0.8127975366725827
Energy: 0.7580924162299814
Energy: 0.8127975366722731
Energy: 0.7580924162313443
Energy: 0.8127975366725827
Energy: 0.8465346902385134
Energy: 0.7869734831171595
Energy: 0.8465535875759117
Energy: 0.7869734831174693
Energy: 0.8465346898172718
Energy: 0.7869734831181507
Energy: 0.7643902392007443
Energy: 0.8127495476234851
Energy: 0.7647199433399237
Energy: 0.8127495476248477
Energy: 0.7643902391946116
Energy: 0.8127495476244763
Energy: 0.7860507582302602
Energy: 0.7879152006680591
Energy: 0.7860507582299504
Energy: 0.7879152006680591
Energy: 0.7860507582299504
Energy: 0.7879152006673777
Energy: 0.7741941603483559
Energy: 0.7715589190577837
Energy: 0.7741941603480461
Energy: 0.7715589190587749
Energy: 0.7741941603480461
Energy: 0.7715589190591465
Energy: 0.8492136209594974
Energy: 0.7869304920394664
Energy: 0.8492136209594974
Energy: 0.7869304920387851
Energy: 0.8492136209585063
Energy: 0.7869304920384134
Energy: 0.7711245547505853
Energy: 0.8017388278272487
Energy: 0.7712575664987814
Energy: 0.8017388278272487
Energy: 0.7711245547505853
Energy: 0.8017388278283017
Energy: 0.7682981552140853
Energy: 0.7918619752844891
Energy: 0.7682981552130321
Energy: 0.7918619752794093
Energy: 0.7682981552164393
Energy: 0.791861975292666
Energy: 0.8051650837286527
Energy: 0.7145421056009507
Energy: 0.805165083728343
Energy: 0.7145421056013223
Energy: 0.805165083729334
Energy: 0.7145421055999595
Energy: 0.7700668659680057
Energy: 0.7406443617486063
Energy: 0.7700668659659613
Energy: 0.7406443617503409
Energy: 0.7700668659625542
Energy: 0.7406443617479249
Energy: 0.8127621430476974
Energy: 0.7694703745088596
Energy: 0.7748230377870794
Energy: 0.7694703745091693
Energy: 0.8127621430476974
Energy: 0.7694703745091693
Energy: 0.8088707380725473
Energy: 0.7348425905766874
Energy: 0.768836032832416
Energy: 0.7348425905766874
Energy: 0.8088707380725473
Energy: 0.734842590577059
Energy: 0.798143906710132
Energy: 0.7395877847075943
Energy: 0.7981439067094505
Energy: 0.7395877847062315
Energy: 0.7981439067091406
Energy: 0.7395877847072228
Energy: 0.7742814659437435
Energy: 0.7630866681478209
Energy: 0.7742814659430621
Energy: 0.7630555589439679
Energy: 0.7742814659420091
Energy: 0.763273786229471
Energy: 0.7756564819930151
Energy: 0.8165319019857994
Energy: 0.7756564819923336
Energy: 0.8165319019851179
Energy: 0.7756564819919619
Energy: 0.8165319019864807
Energy: 0.7815178621605897
Energy: 0.782949798533887
Energy: 0.7815178621616429
Energy: 0.7829497985335773
Energy: 0.7815178621589172
Energy: 0.782949798533887
Energy: 0.8230075097784986
Energy: 0.7862409832091101
Energy: 0.8149898390031738
Energy: 0.7862409832097915
Energy: 0.8145741329868821
Energy: 0.7862409832101012
Energy: 0.7586524353082454
Energy: 0.847893544173983
Energy: 0.7585718977666062
Energy: 0.8478935441729919
Energy: 0.7586524353082454
Energy: 0.847893544173983
Energy: 0.7765256130034657
Energy: 0.7700821304880696
Energy: 0.7765256130085454
Energy: 0.7700821304898041
Energy: 0.7765256130078639
Energy: 0.7700821304887511
Energy: 0.7378063809851466
Energy: 0.8119133602493984
Energy: 0.7378063809851466
Energy: 0.8119133602484073
Energy: 0.7378063809847749
Energy: 0.8119133602504514
Energy: 0.8729150716842855
Energy: 0.7863809003239832
Energy: 0.872915071684595
Energy: 0.7863809003246646
Energy: 0.872915071684595
Energy: 0.7863809003253461
Energy: 0.759585300553388
Energy: 0.7756202070866012
Energy: 0.759595565203115
Energy: 0.7756201980007916
Energy: 0.7595853005523349
Energy: 0.7756202167795562
Energy: 0.871310843274377
Energy: 0.7565843614323522
Energy: 0.8713108432774744
Energy: 0.7565843614334054
Energy: 0.871310843272023
Energy: 0.7565843614334054
Energy: 0.7667501576056989
Energy: 0.7604919837693079
Energy: 0.7667501576056989
Energy: 0.7604919837696796
Energy: 0.7667501576053891
Energy: 0.7604919837703611
Energy: 0.8147838932934769
Energy: 0.7395338501213397
Energy: 0.8147838932924857
Energy: 0.739533850122021
Energy: 0.8147838932948396
Energy: 0.7395338501213397
Energy: 0.7766510646608773
Energy: 0.8066100279822089
Energy: 0.7766510646581517
Energy: 0.806610027981218
Energy: 0.7766510646581517
Energy: 0.8066100279818993
Energy: 0.851818242430395
Energy: 0.7396100779087248
Energy: 0.851818242430395
Energy: 0.7396100779090964
Energy: 0.8518182424297135
Energy: 0.7396100779094061
Energy: 0.8235091949824674
Energy: 0.747085033890719
Energy: 0.8235150057722427
Energy: 0.7470850338914004
Energy: 0.8235091949824674
Energy: 0.747085033890719
Energy: 0.8074240011819473
Energy: 0.7675979995620048
Energy: 0.8074240011822572
Energy: 0.7675979995647304
Energy: 0.8074240011826288
Energy: 0.7675979995589693
Energy: 0.7596014677425317
Energy: 0.8110234338157781
Energy: 0.7596014677425317
Energy: 0.8110234338110082
Energy: 0.7596014677429033
Energy: 0.8110234338164596
Energy: 0.799476627680618
Energy: 0.8017471819868164
Energy: 0.7994766276802462
Energy: 0.8017471819864448
Energy: 0.7994766276816091
Energy: 0.801747181987126
Energy: 0.8002661138227553
Energy: 0.7841576389636556
Energy: 0.8005234875885365
Energy: 0.784157638969107
Energy: 0.8002661138234367
Energy: 0.7841576389650186

minimum gb energy = 0.7145421055999595 eV
minimum distance =  2.35090802679186 Angstroms
sigma value = 81


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

Energy: 0.9223512229947523
Energy: 0.8240962316973485
Energy: 0.871410995662181
Energy: 0.8240962316973485
Energy: 0.9223512229947523
Energy: 0.8240962316973485
Energy: 0.8018613320579724
Energy: 0.7876829856646266
Energy: 0.80186133205844
Energy: 0.7876829856655618
Energy: 0.8018613320579724
Energy: 0.787682985664159
Energy: 0.8018987320870291
Energy: 0.6898983565696551
Energy: 0.8007296909591403
Energy: 0.6898983565696551
Energy: 0.8018987320870291
Energy: 0.6898983565696551
Energy: 0.7574115507023741
Energy: 0.7765843778974599
Energy: 0.7574115507019066
Energy: 0.7765843778969923
Energy: 0.7574115507023741
Energy: 0.7765843778965246
Energy: 0.8188932420748579
Energy: 0.6972718676145594
Energy: 0.8188932420720522
Energy: 0.6972718676145594
Energy: 0.8188932420753255
Energy: 0.6972718676145594
Energy: 0.7898587181037158
Energy: 0.7953132640218179
Energy: 0.7898587181037158
Energy: 0.7953132640222855
Energy: 0.789858718103248
Energy: 0.7953132640218179
Energy: 0.7855384421621265
Energy: 0.8052342499397411
Energy: 0.785544688748289
Energy: 0.8052342499397411
Energy: 0.7855384421616589
Energy: 0.8052342499397411
Energy: 0.7892359731236123
Energy: 0.7850170923471916
Energy: 0.7889793853778414
Energy: 0.7850170923471916
Energy: 0.7892359731240799
Energy: 0.785017092346724
Energy: 0.8450670317426748
Energy: 0.7901148868114523
Energy: 0.8450670317468835
Energy: 0.7901148868114523
Energy: 0.8450670317314519
Energy: 0.7901148868114523
Energy: 0.8314065759654858
Energy: 0.8207538086094005
Energy: 0.8314065759650182
Energy: 0.8207538086103356
Energy: 0.8314065759650182
Energy: 0.8207538086065947
Energy: 0.8017696214723137
Energy: 0.8109002170100709
Energy: 0.801769621473249
Energy: 0.8109002170100709
Energy: 0.801769621473249
Energy: 0.8109002170105385
Energy: 0.7781779794392529
Energy: 0.828396338548951
Energy: 0.7781779794392529
Energy: 0.8283963385494186
Energy: 0.7781779794392529
Energy: 0.828396338548951
Energy: 0.8003613050964773
Energy: 0.7894996974475372
Energy: 0.8003613050964773
Energy: 0.7894996974475372
Energy: 0.8003613050969449
Energy: 0.7894996974480046
Energy: 0.7896167869592016
Energy: 0.6902704922775716
Energy: 0.789616786958734
Energy: 0.6902704922789745
Energy: 0.7896167869596692
Energy: 0.6902704922780393
Energy: 0.8244191007391362
Energy: 0.7271430070576796
Energy: 0.8244191007396037
Energy: 0.7271430070581473
Energy: 0.8244191007386685
Energy: 0.7271430070576796
Energy: 0.7893201548030414
Energy: 0.6926188830993688
Energy: 0.7893201548030414
Energy: 0.6926188830998365
Energy: 0.7893201548025738
Energy: 0.6926188830998365
Energy: 0.8688300787302512
Energy: 0.7954038709320332
Energy: 0.8689486640294367
Energy: 0.7954038709320332
Energy: 0.868830078731654
Energy: 0.795403870932501
Energy: 0.7688024085341062
Energy: 0.9142692465877962
Energy: 0.7682709191572741
Energy: 0.9142692465882638
Energy: 0.7688024085336386
Energy: 0.9142692465882638
Energy: 0.6961651467418495
Energy: 0.7635569336010194
Energy: 0.6961651467423172
Energy: 0.76355693353602
Energy: 0.6961651467418495
Energy: 0.7635569335687534
Energy: 0.7771456001555223
Energy: 0.8674110047575805
Energy: 0.777145600158328
Energy: 0.8674110047561776
Energy: 0.7771456001569252
Energy: 0.86741100475571
Energy: 0.6982674807965847
Energy: 0.7893362297920808
Energy: 0.6982674807965847
Energy: 0.7893362297916131
Energy: 0.6982674807979876
Energy: 0.7893362297911455
Energy: 0.8320726829393646
Energy: 0.8092333699460078
Energy: 0.7796124856338886
Energy: 0.8092333699464754
Energy: 0.8320726829402999
Energy: 0.8092333699460078
Energy: 0.830927652014413
Energy: 0.6770052494825237
Energy: 0.7780713939172118
Energy: 0.6770052494811208
Energy: 0.8309276520134777
Energy: 0.6770052494829913
Energy: 0.8077717835176403
Energy: 0.8114002278692474
Energy: 0.807771783518108
Energy: 0.8114002278687799
Energy: 0.807771783518108
Energy: 0.8114002278687799
Energy: 0.7903031404154085
Energy: 0.7692527861141958
Energy: 0.7903031404158761
Energy: 0.769250307822266
Energy: 0.790303140414941
Energy: 0.7692427924697541
Energy: 0.8294234273211591
Energy: 0.921922847439866
Energy: 0.8294234273202239
Energy: 0.921922847439866
Energy: 0.8294234273206915
Energy: 0.9219228474384631
Energy: 0.7677797690443162
Energy: 0.756378495581465
Energy: 0.767779769044784
Energy: 0.7563784955819326
Energy: 0.767779769044784
Energy: 0.7563784955809973
Energy: 0.8156434152678952
Energy: 0.7951774783797001
Energy: 0.8160958738778501
Energy: 0.7951774783797001
Energy: 0.8156434147098116
Energy: 0.7951774783792325
Energy: 0.7890747834957196
Energy: 0.8035030581770203
Energy: 0.7892069456400471
Energy: 0.8035030581774879
Energy: 0.7890747834952521
Energy: 0.8035030581770203
Energy: 0.690046985149421
Energy: 0.7298661251493185
Energy: 0.690046985149421
Energy: 0.7298661251493185
Energy: 0.690046985149421
Energy: 0.7298661251493185
Energy: 0.7764284206259227
Energy: 0.8214110739689777
Energy: 0.7764284206240522
Energy: 0.8214110739680427
Energy: 0.7764284206249873
Energy: 0.8214110739689777
Energy: 0.6989503215491599
Energy: 0.8113093882426707
Energy: 0.6989503215486923
Energy: 0.8113093882431383
Energy: 0.6989503215491599
Energy: 0.8113093882431383
Energy: 0.7786314112887842
Energy: 0.7892890256864328
Energy: 0.7786314112887842
Energy: 0.7892890256864328
Energy: 0.7786314112887842
Energy: 0.7892890256864328
Energy: 0.7782795630674127
Energy: 0.6734748859129646
Energy: 0.7782795630702185
Energy: 0.6734748859124969
Energy: 0.7782795630692833
Energy: 0.6734748859134322
Energy: 0.8168028578084073
Energy: 0.9482342723785081
Energy: 0.8158816341180822
Energy: 0.9482342723780405
Energy: 0.8168028578098102
Energy: 0.9482342723780405
Energy: 0.7936508904356948
Energy: 0.7768012433416152
Energy: 0.7936508904338243
Energy: 0.7768012433416152
Energy: 0.7936508904333567
Energy: 0.7768012433425504
Energy: 0.7885399657631889
Energy: 0.7001302064174826
Energy: 0.7885399657636565
Energy: 0.7001302064198206
Energy: 0.7885399657631889
Energy: 0.7001302064193531
Energy: 0.810038322367177
Energy: 0.7947874630511782
Energy: 0.8100383223667093
Energy: 0.7947874630502428
Energy: 0.810038322367177
Energy: 0.7947874630507106

minimum gb energy = 0.6734748859124969 eV
minimum distance =  2.39574039159733 Angstroms
sigma value = 43


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

Energy: 0.9102335700270048
Energy: 0.7153364258786907
Energy: 0.9102335700270048
Energy: 0.7153364258786907
Energy: 0.9102335700270048
Energy: 0.7153364258786907
Energy: 0.7917233894522369
Energy: 0.713849544748626
Energy: 0.7917233894528111
Energy: 0.7138495447480517
Energy: 0.7917233894522369
Energy: 0.713849544748626
Energy: 0.8136391858114497
Energy: 0.8681023045963783
Energy: 0.8136391858108751
Energy: 0.8681023045969526
Energy: 0.8136391858114497
Energy: 0.8681023045969526
Energy: 0.729692205134008
Energy: 0.7504375205538802
Energy: 0.7296922051334336
Energy: 0.7504375205538802
Energy: 0.7296922051334336
Energy: 0.7504375205538802
Energy: 0.7820231914534279
Energy: 0.7879409949853464
Energy: 0.7820231914534279
Energy: 0.7879409949859209
Energy: 0.7820231914528536
Energy: 0.7879409949870696
Energy: 0.7464808021278391
Energy: 0.7706195123210728
Energy: 0.7464808021284134
Energy: 0.7706195123210728
Energy: 0.7464808021284134
Energy: 0.7706195123210728
Energy: 0.8064864225887243
Energy: 0.829683615880647
Energy: 0.8064864225887243
Energy: 0.8296836158812213
Energy: 0.8064864225881501
Energy: 0.8296836158812213
Energy: 0.7497300636444428
Energy: 0.7789610747686584
Energy: 0.7497300636444428
Energy: 0.7789610747698071
Energy: 0.7497300636444428
Energy: 0.7789610747703816
Energy: 0.8541086788323541
Energy: 0.7103236715174377
Energy: 0.8541086788340772
Energy: 0.7103236715174377
Energy: 0.8541086788335027
Energy: 0.7103236715174377
Energy: 0.741130292260453
Energy: 0.7727077816976083
Energy: 0.741130292260453
Energy: 0.7727077816981828
Energy: 0.741130292260453
Energy: 0.7727077816976083
Energy: 0.7753365159419535
Energy: 0.7769218006619614
Energy: 0.7753365159419535
Energy: 0.7769218006596639
Energy: 0.7753365159413791
Energy: 0.7769218006613869
Energy: 0.7495302994233184
Energy: 0.7574277793204308
Energy: 0.7495302994227441
Energy: 0.7574277793210052
Energy: 0.7495302994233184
Energy: 0.7574277793204308
Energy: 0.8242110779613051
Energy: 0.7708275500647559
Energy: 0.8242110779607307
Energy: 0.7708275500647559
Energy: 0.8242110779624278
Energy: 0.7708275500647559
Energy: 0.6899384715969493
Energy: 0.8644109759381674
Energy: 0.6899384715963749
Energy: 0.8644109759381674
Energy: 0.6899384715980981
Energy: 0.8644109759381674
Energy: 0.78609513057532
Energy: 0.7880061372498918
Energy: 0.7860951305747454
Energy: 0.7880061372498918
Energy: 0.78609513057532
Energy: 0.7880061372498918
Energy: 0.7678114124141261
Energy: 0.7633906364948244
Energy: 0.7678114124135517
Energy: 0.7633906364919525
Energy: 0.7678114124141261
Energy: 0.7633906364902293
Energy: 0.7984744521645972
Energy: 0.7135270770486482
Energy: 0.7984744521657459
Energy: 0.7135270770486482
Energy: 0.7984744521668948
Energy: 0.7135270770486482
Energy: 0.8322953778950684
Energy: 0.7563718548096384
Energy: 0.8322953778956428
Energy: 0.7563718548096384
Energy: 0.8322953778956428
Energy: 0.7563718548096384
Energy: 0.8322774020548297
Energy: 0.7436753205893496
Energy: 0.8322774020548297
Energy: 0.7436753205893496
Energy: 0.8322774020548297
Energy: 0.743675320589924
Energy: 0.799639138409297
Energy: 0.7138160285756177
Energy: 0.799639138409297
Energy: 0.7138160285761921
Energy: 0.7996391384069996
Energy: 0.7138160285756177
Energy: 0.7677315488216453
Energy: 0.7657968881598899
Energy: 0.7677315488216453
Energy: 0.7657968881604643
Energy: 0.7677315488216453
Energy: 0.7657968881604643
Energy: 0.8216079922240183
Energy: 0.7733431328806726
Energy: 0.8216079922240183
Energy: 0.7733431328806726
Energy: 0.8216079922245927
Energy: 0.7733431328789494
Energy: 0.6907319246855658
Energy: 0.8084048270116247
Energy: 0.6907319246855658
Energy: 0.8084048270116247
Energy: 0.6907319246855658
Energy: 0.8084048270116247
Energy: 0.8232498120489147
Energy: 0.7709956341489544
Energy: 0.8232498120483405
Energy: 0.7709956341489544
Energy: 0.8232498120483405
Energy: 0.7709956341483801
Energy: 0.7494752647446278
Energy: 0.7448024723617747
Energy: 0.7494752647446278
Energy: 0.7448024723612002
Energy: 0.7494752647446278
Energy: 0.7448024723612002
Energy: 0.8215311245228949
Energy: 0.7702997145012906
Energy: 0.8215311245228949
Energy: 0.7702997145012906
Energy: 0.8215311245234693
Energy: 0.7702997145012906
Energy: 0.7414931494876534
Energy: 0.7140369117193298
Energy: 0.7414931494876534
Energy: 0.7140369117193298
Energy: 0.7414931494876534
Energy: 0.7140369117193298
Energy: 0.8049658204627423
Energy: 0.7148012248682922
Energy: 0.8049658204633168
Energy: 0.7148012248682922
Energy: 0.8049658204633168
Energy: 0.7148012248682922
Energy: 0.749383559961833
Energy: 0.7801355761837249
Energy: 0.749383559961833
Energy: 0.7801355761842993
Energy: 0.749383559961833
Energy: 0.7801355761837249
Energy: 0.7862216431228104
Energy: 0.8059250777357908
Energy: 0.7862216431228104
Energy: 0.8059250777357908
Energy: 0.7862216431228104
Energy: 0.8059250777352164
Energy: 0.7458131501681098
Energy: 0.7707934920425923
Energy: 0.7458131501686841
Energy: 0.7707934920425923
Energy: 0.7458131501686841
Energy: 0.7707934920420179

minimum gb energy = 0.6899384715963749 eV
minimum distance =  2.36694411364759 Angstroms
sigma value = 57


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

Energy: 0.8117443313646706
Energy: 0.701874886418119
Energy: 0.8117443313646706
Energy: 0.701874886418119
Energy: 0.8117443313646706
Energy: 0.701874886418119
Energy: 0.7540335478282523
Energy: 0.6811056491920743
Energy: 0.7540335478289959
Energy: 0.6811056491927842
Energy: 0.7540335478282523
Energy: 0.6811056491927842
Energy: 0.7653831214370668
Energy: 0.848211782522601
Energy: 0.7653831214340918
Energy: 0.848211782522601
Energy: 0.7653831214326045
Energy: 0.8482117825233447
Energy: 0.76228915406017
Energy: 0.7857154012546824
Energy: 0.7622891540609137
Energy: 0.7857154012531951
Energy: 0.76228915406017
Energy: 0.7857154012531951
Energy: 0.7250285885555565
Energy: 0.7867899695956765
Energy: 0.7250285885563003
Energy: 0.7867899695949327
Energy: 0.7250285885555565
Energy: 0.7867899695949327
Energy: 0.7595591529567468
Energy: 0.7568588302311874
Energy: 0.759559152956003
Energy: 0.756858830231931
Energy: 0.7595591529507971
Energy: 0.7568588302311874
Energy: 0.7677833544104441
Energy: 0.8341067067003978
Energy: 0.7677833544104441
Energy: 0.834106706699654
Energy: 0.7677833544104441
Energy: 0.8341067067003978
Energy: 0.7635874205587047
Energy: 0.6888322264240968
Energy: 0.7635874205572172
Energy: 0.6888322264233532
Energy: 0.7635874205587047
Energy: 0.6888322264233532
Energy: 0.7328743407042527
Energy: 0.6829586221494063
Energy: 0.7328743407035091
Energy: 0.6829586221486625
Energy: 0.7328743407042527
Energy: 0.6829586221494063
Energy: 0.6636966280984885
Energy: 0.7568776188097444
Energy: 0.6636966280984885
Energy: 0.7568776188097444
Energy: 0.6636966280984885
Energy: 0.7568776188090006
Energy: 0.7676976259033407
Energy: 0.7878437308391457
Energy: 0.7676976259040845
Energy: 0.7878437308391457
Energy: 0.7676976259040845
Energy: 0.7878437308391457
Energy: 0.7282302311615986
Energy: 0.8032490061205662
Energy: 0.7282302311615986
Energy: 0.8032490061190787
Energy: 0.7282302311615986
Energy: 0.8032490061175913
Energy: 0.7329932385179702
Energy: 0.6827953369601687
Energy: 0.7329932385209451
Energy: 0.6827953369609124
Energy: 0.7329932385164828
Energy: 0.6827953369601687
Energy: 0.7680407416097311
Energy: 0.6843835707457144
Energy: 0.7680407416149372
Energy: 0.6843835707457144
Energy: 0.7680407416179119
Energy: 0.6843835707442271
Energy: 0.7372861413095577
Energy: 0.6822220254600709
Energy: 0.7372861413080704
Energy: 0.6822220254600709
Energy: 0.7372861413095577
Energy: 0.6822220254600709
Energy: 0.7368078161824534
Energy: 0.6853755660623696
Energy: 0.7368078161824534
Energy: 0.6853755660616259
Energy: 0.7368078161817098
Energy: 0.6853755660623696
Energy: 0.6649073164911137
Energy: 0.7533617437440007
Energy: 0.6649073164896263
Energy: 0.7533617437440007
Energy: 0.6649073164911137
Energy: 0.7533617437440007
Energy: 0.7653336745953039
Energy: 0.7565318859412481
Energy: 0.7653336745915853
Energy: 0.756531885939017
Energy: 0.7653336745938165
Energy: 0.7565318859397607
Energy: 0.6645572622691334
Energy: 0.7533830506828122
Energy: 0.6645572622691334
Energy: 0.7533830506828122
Energy: 0.6645572622721082
Energy: 0.7533830506828122
Energy: 0.7369134908584782
Energy: 0.6855627452157765
Energy: 0.7369134908584782
Energy: 0.6855627452165203
Energy: 0.7369134908577345
Energy: 0.6855627452157765
Energy: 0.7373046077887655
Energy: 0.6820996819756804
Energy: 0.7373046077880218
Energy: 0.6820996819756804
Energy: 0.7373046077880218
Energy: 0.6820996819756804
Energy: 0.7664983477661805
Energy: 0.7022236957178044
Energy: 0.7664983477632058
Energy: 0.7022236957178044
Energy: 0.7664983477669243
Energy: 0.7022236957178044
Energy: 0.7332879204134306
Energy: 0.6828327237966895
Energy: 0.733287920414918
Energy: 0.6828327237974332
Energy: 0.7332879204141743
Energy: 0.6828327237966895
Energy: 0.7282847103451484
Energy: 0.8031835410155774
Energy: 0.7282847103451484
Energy: 0.803183541019296
Energy: 0.7282847103451484
Energy: 0.8031835410200397

minimum gb energy = 0.6636966280984885 eV
minimum distance =  2.3853665120114 Angstroms
sigma value = 17


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

Energy: 0.7733462661173797
Energy: 0.6947183945714784
Energy: 0.7733462661173797
Energy: 0.6947183945714784
Energy: 0.7733462661173797
Energy: 0.6947183945714784
Energy: 0.6740282970607789
Energy: 0.6661634028394877
Energy: 0.6740282970607789
Energy: 0.6661634028405395
Energy: 0.6740282970607789
Energy: 0.6661634028405395
Energy: 0.7338381196267924
Energy: 0.7940185759750866
Energy: 0.7338381196267924
Energy: 0.7940185759750866
Energy: 0.7338381196257406
Energy: 0.7940185759750866
Energy: 0.6465494918853507
Energy: 0.7704456952594305
Energy: 0.6465494918853507
Energy: 0.7704456952583788
Energy: 0.6465494918853507
Energy: 0.7704456952594305
Energy: 0.7135179217197737
Energy: 0.7404738872351497
Energy: 0.713517921718722
Energy: 0.7404738872340979
Energy: 0.7135179217176701
Energy: 0.7404738872340979
Energy: 0.7052068657842705
Energy: 0.763958331260526
Energy: 0.7052068657842705
Energy: 0.763958331260526
Energy: 0.7052068657842705
Energy: 0.763958331260526
Energy: 0.7276139692787361
Energy: 0.6639406878160504
Energy: 0.7276139692787361
Energy: 0.6639406878149987
Energy: 0.7276139692787361
Energy: 0.6639406878149987
Energy: 0.6476498350831625
Energy: 0.7551394297151273
Energy: 0.6476498350831625
Energy: 0.7551394297151273
Energy: 0.6476498350831625
Energy: 0.7551394297151273
Energy: 0.7406189937060469
Energy: 0.6664161068380497
Energy: 0.7406189937060469
Energy: 0.666416106836998
Energy: 0.7406189937060469
Energy: 0.666416106836998
Energy: 0.7154812293806885
Energy: 0.6705596502545614
Energy: 0.7154812293806885
Energy: 0.6705596502545614
Energy: 0.7154812293806885
Energy: 0.6705596502545614
Energy: 0.7055235413098194
Energy: 0.6801534729165852
Energy: 0.7055235413098194
Energy: 0.6801534729165852
Energy: 0.7055235413108712
Energy: 0.6801534729165852
Energy: 0.7054789372430912
Energy: 0.6666793188383704
Energy: 0.7054789372420395
Energy: 0.6666793188383704
Energy: 0.7054789372420395
Energy: 0.6666793188383704
Energy: 0.6255013825717813
Energy: 0.7667066555269886
Energy: 0.6255013825717813
Energy: 0.7667066555269886
Energy: 0.6255013825717813
Energy: 0.7667066555269886
Energy: 0.7156466795507429
Energy: 0.7495605498905414
Energy: 0.7156466795517946
Energy: 0.7495605498905414
Energy: 0.7156466795517946
Energy: 0.7495605498905414
Energy: 0.7051791492710633
Energy: 0.6533434343369735
Energy: 0.7051791492731668
Energy: 0.6533434343369735
Energy: 0.705179149272115
Energy: 0.6533434343369735
Energy: 0.7049909419086932
Energy: 0.7687686804819193
Energy: 0.704990941909745
Energy: 0.7687686804819193
Energy: 0.704990941909745
Energy: 0.7687686804819193
Energy: 0.7139257137589791
Energy: 0.748818404373085
Energy: 0.7139257137589791
Energy: 0.748818404373085
Energy: 0.7139257137589791
Energy: 0.748818404373085

minimum gb energy = 0.6255013825717813 eV
minimum distance =  2.34344267499585 Angstroms
sigma value = 17


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

Energy: 0.704080370598606
Energy: 0.6306196285237937
Energy: 0.704080370598606
Energy: 0.6306196285237937
Energy: 0.704080370598606
Energy: 0.6306196285241998
Energy: 0.6428259103532679
Energy: 0.6161165839329483
Energy: 0.6428259103557048
Energy: 0.6161165839329483
Energy: 0.6428259103552987
Energy: 0.6161165839329483
Energy: 0.7048369837133285
Energy: 0.6692820587931754
Energy: 0.7048369837133285
Energy: 0.6692820587931754
Energy: 0.7048369837133285
Energy: 0.6692820587931754
Energy: 0.5921070498710646
Energy: 0.688163978115874
Energy: 0.5921070498706583
Energy: 0.6881639781150618
Energy: 0.5921070498718768
Energy: 0.688163978115874
Energy: 0.6418430273400544
Energy: 0.6100966749604291
Energy: 0.6418430273404605
Energy: 0.6100966749600228
Energy: 0.6418430273408667
Energy: 0.6100966749604291
Energy: 0.6711168594197305
Energy: 0.6415610646700497
Energy: 0.6711168594197305
Energy: 0.6415610646704559
Energy: 0.6711168594197305
Energy: 0.6415610646712682
Energy: 0.6427772448710761
Energy: 0.6404166709652394
Energy: 0.642777244873107
Energy: 0.6404166709648331
Energy: 0.6427772448743254
Energy: 0.6404166709640209
Energy: 0.6504206866351815
Energy: 0.7142176120301458
Energy: 0.6504206866335569
Energy: 0.7142176120301458
Energy: 0.650420686633963
Energy: 0.7142176120313641
Energy: 0.6576990026042221
Energy: 0.6773359883697085
Energy: 0.657699002603816
Energy: 0.6773359883688963
Energy: 0.6576990026042221
Energy: 0.6773359883697085
Energy: 0.6410968407266052
Energy: 0.57805956244221
Energy: 0.6410968407270113
Energy: 0.5780595624418039
Energy: 0.6410968407270113
Energy: 0.5780595624426162
Energy: 0.5908926143264769
Energy: 0.7862955355015394
Energy: 0.5908926143260707
Energy: 0.7862955355015394
Energy: 0.5908926143264769
Energy: 0.7862955355011334
Energy: 0.7080630818560197
Energy: 0.6276116825927821
Energy: 0.7080630818560197
Energy: 0.627611682592376
Energy: 0.7080630818560197
Energy: 0.6276116825919698
Energy: 0.6543735033443772
Energy: 0.6268208302453542
Energy: 0.6543735033435648
Energy: 0.6268208302465726
Energy: 0.6543735033447832
Energy: 0.6268208302449481
Energy: 0.6453246140002272
Energy: 0.635547302085842
Energy: 0.6453246140002272
Energy: 0.6355473020846235
Energy: 0.6453246140002272
Energy: 0.635547302085842
Energy: 0.6735025983864821
Energy: 0.6279819054683236
Energy: 0.6735025983868882
Energy: 0.6279819054687297
Energy: 0.6735025983868882
Energy: 0.6279819054683236
Energy: 0.5907639692571777
Energy: 0.667968489677833
Energy: 0.5907639692571777
Energy: 0.667968489677833
Energy: 0.5907639692571777
Energy: 0.667968489677833
Energy: 0.6546163770609618
Energy: 0.6620287969477515
Energy: 0.6546163770609618
Energy: 0.6620287969481576
Energy: 0.6546163770605555
Energy: 0.6620287969481576
Energy: 0.6766272093893582
Energy: 0.6670839506045685
Energy: 0.6766272093877335
Energy: 0.66708395060335
Energy: 0.6766272093885458
Energy: 0.6670839506041624
Energy: 0.6509064779751597
Energy: 0.6693361487216629
Energy: 0.6509064779743473
Energy: 0.6693361487224752
Energy: 0.650906477973535
Energy: 0.669336148722069
Energy: 0.6539649992509896
Energy: 0.6377326410691618
Energy: 0.6539649992518018
Energy: 0.637732641069568
Energy: 0.6539649992513957
Energy: 0.6377326410687556
Energy: 0.6508837582999344
Energy: 0.6693073826670907
Energy: 0.6508837582983097
Energy: 0.6693073826646908
Energy: 0.6508837582950606
Energy: 0.6693073826674968
Energy: 0.6766862786108412
Energy: 0.6667807277782459
Energy: 0.676686278610435
Energy: 0.666780727781089
Energy: 0.6766862786124658
Energy: 0.6667807277798705
Energy: 0.6543388947479281
Energy: 0.6619087851540585
Energy: 0.6543388947479281
Energy: 0.6619087851540585
Energy: 0.6543388947479281
Energy: 0.6619087851540585
Energy: 0.5910107218201467
Energy: 0.7155576964258444
Energy: 0.5910107218181159
Energy: 0.7155576964262506
Energy: 0.5910107218201467
Energy: 0.7155576964262506
Energy: 0.673131928166332
Energy: 0.6277929941699124
Energy: 0.6731319281671444
Energy: 0.6277929941711309
Energy: 0.6731319281671444
Energy: 0.6277929941695062
Energy: 0.6452508326580656
Energy: 0.6316121569040938
Energy: 0.6452508326584717
Energy: 0.6316121569028753
Energy: 0.6452508326584717
Energy: 0.6316121569032815
Energy: 0.6544480336812889
Energy: 0.6270080663088037
Energy: 0.6544480336812889
Energy: 0.6270080663088037
Energy: 0.6544480336808827
Energy: 0.6270080663088037
Energy: 0.7080322166067511
Energy: 0.6275407910892907
Energy: 0.7080322166063449
Energy: 0.6275407910884784
Energy: 0.7080322166067511
Energy: 0.6275407910888845
Energy: 0.5909018808023836
Energy: 0.7860222550830768
Energy: 0.5909018808023836
Energy: 0.7860222550826705
Energy: 0.5909018808023836
Energy: 0.7860222550830768
Energy: 0.6407376428347547
Energy: 0.6732707626363191
Energy: 0.6407376428359731
Energy: 0.6732707626367254
Energy: 0.6407376428347547
Energy: 0.6732707626367254
Energy: 0.6577330299088816
Energy: 0.6774826456309184
Energy: 0.6577330299080694
Energy: 0.6774826456321368
Energy: 0.6577330299080694
Energy: 0.6774826456317307
Energy: 0.6504241949507219
Energy: 0.7131817718424555
Energy: 0.6504241949503158
Energy: 0.7131817718400185
Energy: 0.6504241949470666
Energy: 0.7131817718432678
Energy: 0.6419656837223271
Energy: 0.6405980185314392
Energy: 0.6419656837227332
Energy: 0.6405980185318453
Energy: 0.6419656837223271
Energy: 0.6405980185306268
Energy: 0.6709070782547659
Energy: 0.6248374089197825
Energy: 0.6709070782543598
Energy: 0.6248374089193763
Energy: 0.6709070782547659
Energy: 0.6248374089193763
Energy: 0.6414136590471353
Energy: 0.6101135632543563
Energy: 0.6414136590471353
Energy: 0.6101135632547625
Energy: 0.6414136590572891
Energy: 0.610113563253544
Energy: 0.5919896179044567
Energy: 0.6626788226720438
Energy: 0.5919896179044567
Energy: 0.6626788226724499
Energy: 0.5919896179048629
Energy: 0.6626788226728562
Energy: 0.7050330747579829
Energy: 0.669346878251267
Energy: 0.7050330747583891
Energy: 0.6693468782516733
Energy: 0.7050330747583891
Energy: 0.669346878251267
Energy: 0.6423281487667123
Energy: 0.6164359589781143
Energy: 0.6423281487638692
Energy: 0.6164359589785204
Energy: 0.6423281487663062
Energy: 0.6164359589789266
Energy: 0.7040803705994183
Energy: 0.6306196285237937
Energy: 0.7040803705994183
Energy: 0.6306196285237937
Energy: 0.7040803705990121
Energy: 0.6306196285237937
Energy: 0.642825910356111
Energy: 0.6096537655234601
Energy: 0.6428259103552987
Energy: 0.6096537655234601
Energy: 0.6428259103544863
Energy: 0.6096537655234601
Energy: 0.7048369837125162
Energy: 0.6692820587927693
Energy: 0.7048369837125162
Energy: 0.6692820587931754
Energy: 0.7048369837125162
Energy: 0.6692820587927693
Energy: 0.5921070498706583
Energy: 0.6881639781162802
Energy: 0.5921070498710646
Energy: 0.688163978115468
Energy: 0.5921070498714707
Energy: 0.6881639781162802
Energy: 0.641843027336399
Energy: 0.6100966749600228
Energy: 0.6418430273355866
Energy: 0.6100966749604291
Energy: 0.6418430273384297
Energy: 0.6100966749600228

minimum gb energy = 0.5780595624418039 eV
minimum distance =  2.37650816547132 Angstroms
sigma value = 57


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

Energy: 0.647391517565607
Energy: 0.5853171630483924
Energy: 0.6473915175662683
Energy: 0.5853171630490538
Energy: 0.6473915175649456
Energy: 0.5853171630483924
Energy: 0.6860483886708763
Energy: 0.5768092592973251
Energy: 0.6860483886708763
Energy: 0.5768092592973251
Energy: 0.6860483886708763
Energy: 0.5768092592979864
Energy: 0.6260394358606429
Energy: 0.623756101728932
Energy: 0.6260394358613043
Energy: 0.6237561017282709
Energy: 0.6260394358613043
Energy: 0.6237561017282709
Energy: 0.559944346314943
Energy: 0.6388362430902667
Energy: 0.5599443463162658
Energy: 0.6388362430902667
Energy: 0.5599443463136204
Energy: 0.6388362430896054
Energy: 0.5850398233884877
Energy: 0.5399927237008902
Energy: 0.5850398233904716
Energy: 0.5399927237015516
Energy: 0.5850398233884877
Energy: 0.5399927237008902
Energy: 0.6353788045595973
Energy: 0.5765790573267676
Energy: 0.6353788045595973
Energy: 0.5765790573267676
Energy: 0.635378804558936
Energy: 0.5765790573267676
Energy: 0.5551772041681347
Energy: 0.617757807154926
Energy: 0.5551772041687959
Energy: 0.6177578071542648
Energy: 0.5551772041687959
Energy: 0.6177578071562488
Energy: 0.7499564567175736
Energy: 0.6015308467319184
Energy: 0.7499564567169122
Energy: 0.6015308467345636
Energy: 0.7499564567169122
Energy: 0.6015308467292731
Energy: 0.5808484892838914
Energy: 0.577923354258743
Energy: 0.5808484892838914
Energy: 0.5779233542574205
Energy: 0.5808484892838914
Energy: 0.5779233542580817
Energy: 0.5908176703024751
Energy: 0.5922156892474584
Energy: 0.5908176703018138
Energy: 0.5922156892481196
Energy: 0.5908176703024751
Energy: 0.5922156892474584
Energy: 0.5485925877075684
Energy: 0.6670710502942573
Energy: 0.5485925877042619
Energy: 0.667071050293596
Energy: 0.5485925877029391
Energy: 0.6670710502929347
Energy: 0.605829821400208
Energy: 0.5539622520441115
Energy: 0.605829821400208
Energy: 0.5539622520441115
Energy: 0.6058298214008694
Energy: 0.5539622520441115
Energy: 0.5887373542767359
Energy: 0.6270946141502179
Energy: 0.5887373542767359
Energy: 0.6270946141495566
Energy: 0.5887373542767359
Energy: 0.6270946141495566
Energy: 0.5576520225853195
Energy: 0.6139071375858159
Energy: 0.5576520225853195
Energy: 0.6139071375871386
Energy: 0.5576520225853195
Energy: 0.6139071375864772
Energy: 0.6523061654891744
Energy: 0.5875697451466092
Energy: 0.6523061654891744
Energy: 0.587569745139996
Energy: 0.6523061654878519
Energy: 0.5875697451419799
Energy: 0.5882546716229803
Energy: 0.5840466704123205
Energy: 0.5882546716249643
Energy: 0.584046670412982
Energy: 0.5882546716236418
Energy: 0.5840466704123205
Energy: 0.6084760791343634
Energy: 0.6636897741676231
Energy: 0.6084760791350248
Energy: 0.6636897741676231
Energy: 0.6084760791343634
Energy: 0.6636897741669616
Energy: 0.6244857708824424
Energy: 0.640354693375079
Energy: 0.6244857708831038
Energy: 0.6403546933777243
Energy: 0.6244857708831038
Energy: 0.6403546933764017
Energy: 0.5674343899383522
Energy: 0.6941618327646669
Energy: 0.5674343899370295
Energy: 0.6941618327640056
Energy: 0.5674343899383522
Energy: 0.6941618327640056
Energy: 0.5600199290045658
Energy: 0.6329857119348117
Energy: 0.5600199290058885
Energy: 0.6329857119348117
Energy: 0.5600199290045658
Energy: 0.6329857119348117
Energy: 0.6205130823508561
Energy: 0.6176271102370192
Energy: 0.6205130823515175
Energy: 0.6176271102370192
Energy: 0.6205130823521787
Energy: 0.6176271102370192
Energy: 0.5475041340410687
Energy: 0.6992283533586142
Energy: 0.5475041340430528
Energy: 0.6992283533586142
Energy: 0.5475041340404074
Energy: 0.6992283533592756
Energy: 0.6063136227599184
Energy: 0.6056556807493064
Energy: 0.6063136227599184
Energy: 0.6056556807499678
Energy: 0.6063136227599184
Energy: 0.6056556807493064
Energy: 0.6092498328814182
Energy: 0.6977203212938792
Energy: 0.609249832880757
Energy: 0.6977203212938792
Energy: 0.6092498328800957
Energy: 0.6977203212932179
Energy: 0.5991839056441228
Energy: 0.7455448879786001
Energy: 0.5991839056428001
Energy: 0.7455448879786001
Energy: 0.5991839056394935
Energy: 0.7455448879786001
Energy: 0.5876593963902269
Energy: 0.6047609621955645
Energy: 0.5876593963895654
Energy: 0.6047609621955645
Energy: 0.5876593963902269
Energy: 0.6047609621955645
Energy: 0.5572762445243988
Energy: 0.6946216258554018
Energy: 0.5572762445237375
Energy: 0.694621625856063
Energy: 0.5572762445243988
Energy: 0.6946216258554018

minimum gb energy = 0.5399927237008902 eV
minimum distance =  2.33342088320559 Angstroms
sigma value = 43


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

Energy: 0.5640265659766901
Energy: 0.5297747559726037
Energy: 0.5640265659771718
Energy: 0.5297747559726037
Energy: 0.5640265659771718
Energy: 0.5297747559726037
Energy: 0.5787458128905197
Energy: 0.5373271044230685
Energy: 0.5787458128900379
Energy: 0.5373271044235505
Energy: 0.5787458128890742
Energy: 0.5373271044230685
Energy: 0.5994510402742285
Energy: 0.539799393652523
Energy: 0.5994510402742285
Energy: 0.5397993936530049
Energy: 0.5994510402747104
Energy: 0.5397993936539686
Energy: 0.5384387743912736
Energy: 0.5528897228199344
Energy: 0.5384387743912736
Energy: 0.5528897228204163
Energy: 0.5384387743907918
Energy: 0.5528897228204163
Energy: 0.5770550431275054
Energy: 0.5117181235574482
Energy: 0.5770550431265419
Energy: 0.5117181235574482
Energy: 0.5770550431260599
Energy: 0.5117181235574482
Energy: 0.5428548336708314
Energy: 0.520305812438959
Energy: 0.5428548336708314
Energy: 0.5203058124394409
Energy: 0.542854833671313
Energy: 0.5203058124384772
Energy: 0.49507905852525425
Energy: 0.5372737669980411
Energy: 0.495079058526218
Energy: 0.537273766998523
Energy: 0.495079058526218
Energy: 0.5372737669970775
Energy: 0.573010329056739
Energy: 0.5022502714499671
Energy: 0.5730103290557753
Energy: 0.5022502714499671
Energy: 0.5730103290572208
Energy: 0.5022502714494853
Energy: 0.5203160148088786
Energy: 0.5130785909182237
Energy: 0.5203160148083967
Energy: 0.5130785909177419
Energy: 0.5203160148083967
Energy: 0.5130785909182237
Energy: 0.5806070632289894
Energy: 0.5113855631490338
Energy: 0.5806070632280257
Energy: 0.5113855631485519
Energy: 0.5806070632285075
Energy: 0.5113855631475883
Energy: 0.6262900969201379
Energy: 0.5614541897523401
Energy: 0.6262900969201379
Energy: 0.5614541897523401
Energy: 0.6262900969196561
Energy: 0.5614541897523401
Energy: 0.49424185884731914
Energy: 0.5145621001856359
Energy: 0.49424185884442806
Energy: 0.5145621001851541
Energy: 0.49424185884731914
Energy: 0.5145621001856359
Energy: 0.5793146670120731
Energy: 0.49215337377130136
Energy: 0.5793146670120731
Energy: 0.49215337377130136
Energy: 0.5793146670120731
Energy: 0.49215337377130136
Energy: 0.6246203455035532
Energy: 0.6190905975990557
Energy: 0.6246203455030713
Energy: 0.6190905975995374
Energy: 0.6246203455030713
Energy: 0.6190905975995374
Energy: 0.5112906801306708
Energy: 0.5144237314413246
Energy: 0.5112906801306708
Energy: 0.5144237314413246
Energy: 0.511290680130189
Energy: 0.5144237314408427
Energy: 0.544865591128177
Energy: 0.539554847633217
Energy: 0.544865591128177
Energy: 0.5395548476327353
Energy: 0.5448655911276952
Energy: 0.5395548476327353
Energy: 0.5266600264991168
Energy: 0.617097710387436
Energy: 0.5266600264962257
Energy: 0.617097710387436
Energy: 0.5266600264986349
Energy: 0.617097710387436
Energy: 0.5290589145014404
Energy: 0.5143501362480036
Energy: 0.5290589145014404
Energy: 0.5143501362489673
Energy: 0.5290589145009585
Energy: 0.5143501362470398
Energy: 0.521737449085217
Energy: 0.5695048148041953
Energy: 0.5217374490856989
Energy: 0.5695048148046772
Energy: 0.5217374490847351
Energy: 0.5695048148046772
Energy: 0.5431883359433337
Energy: 0.5627186121359066
Energy: 0.5431883359433337
Energy: 0.5627186121359066
Energy: 0.5431883359433337
Energy: 0.5627186121359066
Energy: 0.5663220238637541
Energy: 0.5260052449324245
Energy: 0.5663220238632722
Energy: 0.5260052449319428
Energy: 0.5663220238623086
Energy: 0.5260052449314608
Energy: 0.5381917931357234
Energy: 0.5734779041190767
Energy: 0.5381917931357234
Energy: 0.573477904118595
Energy: 0.5381917931352416
Energy: 0.5734779041190767
Energy: 0.554494010506957
Energy: 0.572935338044129
Energy: 0.5544940105064752
Energy: 0.5729353380446108
Energy: 0.5544940105064752
Energy: 0.572935338044129
Energy: 0.59868601993787
Energy: 0.524225515331523
Energy: 0.5986860199383518
Energy: 0.5242255153324866
Energy: 0.5986860199383518
Energy: 0.524225515331523
Energy: 0.4947617944531459
Energy: 0.5614314649825317
Energy: 0.4947617944526641
Energy: 0.5614314649825317
Energy: 0.4947617944531459
Energy: 0.5614314649820499
Energy: 0.5071705255232404
Energy: 0.5512521771481785
Energy: 0.5071705255232404
Energy: 0.5512521771481785
Energy: 0.5071705255227585
Energy: 0.5512521771476967
Energy: 0.5519764692426422
Energy: 0.5072124084306356
Energy: 0.5519764692426422
Energy: 0.5072124084306356
Energy: 0.5519764692421604
Energy: 0.5072124084311175
Energy: 0.4886072160231194
Energy: 0.5579209505326914
Energy: 0.4886072160226375
Energy: 0.5579209505336551
Energy: 0.4886072160231194
Energy: 0.5579209505341369
Energy: 0.5073750799991713
Energy: 0.5185965252253629
Energy: 0.5073750799991713
Energy: 0.5185965252248811
Energy: 0.5073750799991713
Energy: 0.5185965252253629
Energy: 0.5071007276747437
Energy: 0.5579515336820168
Energy: 0.5071007276747437
Energy: 0.5579515336824985
Energy: 0.5071007276752255
Energy: 0.5579515336829803
Energy: 0.5008293423056432
Energy: 0.5605716857709324
Energy: 0.5008293423051614
Energy: 0.5605716857714143
Energy: 0.5008293423046796
Energy: 0.5605716857714143
Energy: 0.5076338930630168
Energy: 0.5002712366430774
Energy: 0.5076338930625348
Energy: 0.5002712366430774
Energy: 0.5076338930625348
Energy: 0.5002712366435592
Energy: 0.4914211358480031
Energy: 0.5610668857287276
Energy: 0.4914211358480031
Energy: 0.5610668857282458
Energy: 0.4914211358489668
Energy: 0.5610668857272821
Energy: 0.6268845908960259
Energy: 0.56095330204806
Energy: 0.6268845908965077
Energy: 0.5609533020490236
Energy: 0.6268845908960259
Energy: 0.5609533020490236
Energy: 0.5087015559537977
Energy: 0.4865005463128073
Energy: 0.5087015559537977
Energy: 0.4865005463123256
Energy: 0.5087015559537977
Energy: 0.4865005463128073
Energy: 0.4556260789995049
Energy: 0.5592013843660187
Energy: 0.4556260789995049
Energy: 0.5592013843660187
Energy: 0.455626078999023
Energy: 0.5592013843660187

minimum gb energy = 0.455626078999023 eV
minimum distance =  2.32598849139667 Angstroms
sigma value = 81


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

Energy: 0.03652648621092775
Energy: 0.0663979586054079
Energy: 0.03652648621092775
Energy: 0.0663979586054079
Energy: 0.03652648621092775
Energy: 0.0663979586054079
Energy: 0.4173735917840853
Energy: 0.038101592607622525
Energy: 0.4173735917840853
Energy: 0.0381015926111633
Energy: 0.4173735917840853
Energy: 0.038101592607622525
Energy: 0.4173641248010616
Energy: 0.0376364801179346
Energy: 0.417364124802832
Energy: 0.03763648011616422
Energy: 0.417364124802832
Energy: 0.0376364801179346
Energy: 0.03652648621092775
Energy: 0.0663979586054079
Energy: 0.03652648621092775
Energy: 0.0663979586054079
Energy: 0.03652648621092775
Energy: 0.0663979586054079
Energy: 0.4173735917840853
Energy: 0.0381015926111633
Energy: 0.4173735917840853
Energy: 0.0381015926111633
Energy: 0.4173735917840853
Energy: 0.0381015926111633
Energy: 0.4173641248010616
Energy: 0.0376364801179346
Energy: 0.417364124802832
Energy: 0.03763648011616422
Energy: 0.417364124802832
Energy: 0.03763648011616422
Energy: 0.03652648621092775
Energy: 0.0663979586054079
Energy: 0.03652648621092775
Energy: 0.0663979586054079
Energy: 0.03652648621092775
Energy: 0.0663979586054079
Energy: 0.4173735917840853
Energy: 0.03810159261293368
Energy: 0.4173735917840853
Energy: 0.0381015926111633
Energy: 0.4173735917840853
Energy: 0.0381015926111633
Energy: 0.4173641248010616
Energy: 0.0376364801179346
Energy: 0.417364124802832
Energy: 0.03763648011616422
Energy: 0.417364124802832
Energy: 0.03763648011262345
Energy: 0.03652648621092775
Energy: 0.0663979586054079
Energy: 0.03652648621092775
Energy: 0.0663979586054079
Energy: 0.03652648621092775
Energy: 0.0663979586054079

minimum gb energy = 0.03652648621092775 eV
minimum distance =  2.53159293851258 Angstroms
sigma value = 3


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

Energy: 0.5437715961599775
Energy: 0.4902237081085175
Energy: 0.5437715961599775
Energy: 0.4902237081085175
Energy: 0.5437715961599775
Energy: 0.4902237081085175
Energy: 0.47627276149556297
Energy: 0.47795093207455686
Energy: 0.47627276149556297
Energy: 0.47795093207508665
Energy: 0.47627276149556297
Energy: 0.47795093207455686
Energy: 0.4898439247708666
Energy: 0.4867175136673215
Energy: 0.4898439247708666
Energy: 0.4867175136673215
Energy: 0.4898439247708666
Energy: 0.4867175136673215
Energy: 0.4873788630874323
Energy: 0.47027263324936625
Energy: 0.4873788630874323
Energy: 0.47027263324936625
Energy: 0.48737886308690254
Energy: 0.47027263324936625
Energy: 0.4184939709074191
Energy: 0.48071266546473473
Energy: 0.4184939709079489
Energy: 0.48071266546632424
Energy: 0.4184939709074191
Energy: 0.4807126654657944
Energy: 0.4922292907022106
Energy: 0.49225910959144276
Energy: 0.4922292907022106
Energy: 0.49225910959144276
Energy: 0.4922292907022106
Energy: 0.49225910959144276
Energy: 0.4867522390387958
Energy: 0.4769327991736042
Energy: 0.48675223903826603
Energy: 0.4769327991736042
Energy: 0.4867522390387958
Energy: 0.4769327991736042
Energy: 0.4153567779449265
Energy: 0.4817909308963254
Energy: 0.4153567779449265
Energy: 0.4817909308963254
Energy: 0.4153567779443967
Energy: 0.48179093089579555
Energy: 0.5000304843924599
Energy: 0.49591438691958795
Energy: 0.5000304843924599
Energy: 0.49591438691905826
Energy: 0.5000304843924599
Energy: 0.49591438691905826
Energy: 0.48680202394701244
Energy: 0.44544564831257466
Energy: 0.48680202394648264
Energy: 0.44544564831257466
Energy: 0.48680202394648264
Energy: 0.44544564831310446
Energy: 0.4425582822975431
Energy: 0.4819486822867864
Energy: 0.4425582822975431
Energy: 0.4819486822867864
Energy: 0.4425582822975431
Energy: 0.4819486822867864
Energy: 0.5126907356741388
Energy: 0.5186645460654564
Energy: 0.5126907356741388
Energy: 0.5186645460654564
Energy: 0.5126907356746687
Energy: 0.5186645460654564
Energy: 0.48991699852266046
Energy: 0.42176091240673896
Energy: 0.48991699852266046
Energy: 0.42176091240673896
Energy: 0.48991699852266046
Energy: 0.42176091240673896
Energy: 0.4628277565931098
Energy: 0.5073706359652864
Energy: 0.4628277565925801
Energy: 0.5073706359652864
Energy: 0.4628277565931098
Energy: 0.5073706359658162
Energy: 0.4901126128452521
Energy: 0.5038381695965871
Energy: 0.4901126128452521
Energy: 0.5038381695965871
Energy: 0.4901126128452521
Energy: 0.5038381695960573
Energy: 0.4935824667036786
Energy: 0.416920405667015
Energy: 0.4935824667036786
Energy: 0.416920405667015
Energy: 0.4935824667042084
Energy: 0.416920405667015
Energy: 0.4868236689214898
Energy: 0.5223398309634009
Energy: 0.4868236689214898
Energy: 0.5223398309634009
Energy: 0.4868236689214898
Energy: 0.5223398309634009
Energy: 0.4945814934065751
Energy: 0.4850903598745407
Energy: 0.4945814934065751
Energy: 0.4850903598745407
Energy: 0.4945814934065751
Energy: 0.4850903598745407
Energy: 0.4941944020618502
Energy: 0.4661182442120218
Energy: 0.4941944020618502
Energy: 0.4661182442120218
Energy: 0.4941944020618502
Energy: 0.4661182442120218
Energy: 0.3841581108751533
Energy: 0.5588566496612701
Energy: 0.3841581108772724
Energy: 0.5588566496612701
Energy: 0.384158110875683
Energy: 0.5588566496612701
Energy: 0.5131373412315342
Energy: 0.47983465514386225
Energy: 0.5131373412320641
Energy: 0.479834655147041
Energy: 0.5131373412320641
Energy: 0.47983465514439205
Energy: 0.4849862538263921
Energy: 0.4729720707395223
Energy: 0.4849862538263921
Energy: 0.4729720707395223
Energy: 0.4849862538263921
Energy: 0.4729720707395223
Energy: 0.4871610549185727
Energy: 0.483363738224819
Energy: 0.4871610549185727
Energy: 0.483363738224819
Energy: 0.4871610549185727
Energy: 0.4833637382253487
Energy: 0.49483016847412603
Energy: 0.4686499045368021
Energy: 0.4948301684746558
Energy: 0.4686499045368021
Energy: 0.4948301684746558
Energy: 0.4686499045368021
Energy: 0.4947160701700913
Energy: 0.4918126676964264
Energy: 0.4947160701700913
Energy: 0.4918126676964264
Energy: 0.4947160701700913
Energy: 0.4918126676964264
Energy: 0.4767533143215109
Energy: 0.49622080563211285
Energy: 0.4767533143215109
Energy: 0.49622080563211285
Energy: 0.4767533143215109
Energy: 0.49622080563211285
Energy: 0.5475519124854682
Energy: 0.41668908592230103
Energy: 0.5475519124854682
Energy: 0.4166890859217712
Energy: 0.5475519124854682
Energy: 0.41668908592230103
Energy: 0.49089920391115677
Energy: 0.5035518734159591
Energy: 0.49089920391115677
Energy: 0.5035518734159591
Energy: 0.49089920391115677
Energy: 0.5035518734159591
Energy: 0.4638680106788234
Energy: 0.4894252746852342
Energy: 0.4638680106788234
Energy: 0.4894252746852342
Energy: 0.4638680106788234
Energy: 0.4894252746852342
Energy: 0.5478241386437189
Energy: 0.44566053835295416
Energy: 0.5478241386431892
Energy: 0.4456605383534839
Energy: 0.5478241386431892
Energy: 0.44566053835454356
Energy: 0.5178936513090971
Energy: 0.5002194719215612
Energy: 0.5178936513085675
Energy: 0.5002194719215612
Energy: 0.5178936513090971
Energy: 0.5002194719210314
Energy: 0.44284287701876507
Energy: 0.4900855434114477
Energy: 0.44284287701876507
Energy: 0.4900855434114477
Energy: 0.44284287701876507
Energy: 0.4900855434114477
Energy: 0.5012424062318463
Energy: 0.48711145339577155
Energy: 0.5012424062318463
Energy: 0.4871114533952418
Energy: 0.5012424062318463
Energy: 0.48711145339577155

minimum gb energy = 0.3841581108751533 eV
minimum distance =  2.37721587199384 Angstroms
sigma value = 67


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

Energy: 0.6571489175839954
Energy: 0.5999581948385376
Energy: 0.6571489175839954
Energy: 0.5999581948377827
Energy: 0.6571489175839954
Energy: 0.5999581948377827
Energy: 0.596955938125803
Energy: 0.6037625075237293
Energy: 0.596955938126558
Energy: 0.6037625075237293
Energy: 0.596955938125803
Energy: 0.6037625075237293
Energy: 0.6271986612804863
Energy: 0.6215841782403831
Energy: 0.6271986612804863
Energy: 0.6215841782403831
Energy: 0.6271986612804863
Energy: 0.6215841782403831
Energy: 0.6363362186295289
Energy: 0.5989452249197832
Energy: 0.6363362186295289
Energy: 0.5989452249205381
Energy: 0.6363362186295289
Energy: 0.5989452249205381
Energy: 0.5363335298639348
Energy: 0.581768572102847
Energy: 0.5363335298646895
Energy: 0.581768572102847
Energy: 0.5363335298639348
Energy: 0.581768572102847
Energy: 0.6261441169406939
Energy: 0.617622562687606
Energy: 0.6261441169414487
Energy: 0.617622562687606
Energy: 0.6261441169406939
Energy: 0.617622562687606
Energy: 0.5859020397888138
Energy: 0.581626646805058
Energy: 0.5859020397888138
Energy: 0.581626646805058
Energy: 0.5859020397888138
Energy: 0.581626646805058
Energy: 0.5795847436852104
Energy: 0.5756382774261015
Energy: 0.5795847436852104
Energy: 0.5756382774261015
Energy: 0.5795847436844556
Energy: 0.5756382774261015
Energy: 0.643608967984572
Energy: 0.6527275152632503
Energy: 0.643608967985327
Energy: 0.6527275152632503
Energy: 0.643608967984572
Energy: 0.6527275152632503
Energy: 0.6097472276271537
Energy: 0.5481198218178853
Energy: 0.6097472276271537
Energy: 0.5481198218186402
Energy: 0.6097472276271537
Energy: 0.5481198218186402
Energy: 0.6051658824598408
Energy: 0.6229532101102778
Energy: 0.6051658824590859
Energy: 0.6229532101102778
Energy: 0.6051658824598408
Energy: 0.6229532101102778
Energy: 0.5899804430562221
Energy: 0.6194677779181688
Energy: 0.5899804430562221
Energy: 0.6194677779174139
Energy: 0.5899804430562221
Energy: 0.6194677779174139
Energy: 0.609319016467007
Energy: 0.5883418076405551
Energy: 0.609319016467007
Energy: 0.5883418076398003
Energy: 0.609319016467007
Energy: 0.5883418076398003
Energy: 0.594552894045327
Energy: 0.6217336597182233
Energy: 0.594552894045327
Energy: 0.6217336597189782
Energy: 0.594552894045327
Energy: 0.6217336597174684
Energy: 0.5971916656739302
Energy: 0.5925765591127883
Energy: 0.5971916656731754
Energy: 0.5925765591127883
Energy: 0.5971916656746851
Energy: 0.5925765591135432
Energy: 0.632898873334232
Energy: 0.6018421074633052
Energy: 0.632898873334232
Energy: 0.6018421074633052
Energy: 0.632898873334232
Energy: 0.6018421074633052
Energy: 0.6150487699149823
Energy: 0.6272089348337877
Energy: 0.6150487699149823
Energy: 0.6272089348337877
Energy: 0.6150487699149823
Energy: 0.6272089348337877
Energy: 0.6117222287766881
Energy: 0.5817678987940313
Energy: 0.6117222287766881
Energy: 0.5817678987940313
Energy: 0.6117222287759333
Energy: 0.5817678987940313
Energy: 0.6199423054752714
Energy: 0.630279691040683
Energy: 0.6199423054752714
Energy: 0.630279691040683
Energy: 0.6199423054752714
Energy: 0.630279691040683
Energy: 0.5396827472153922
Energy: 0.6231764470071173
Energy: 0.5396827472146374
Energy: 0.6231764470071173
Energy: 0.5396827472161473
Energy: 0.6231764470071173
Energy: 0.6457468133704187
Energy: 0.5859914521243962
Energy: 0.6457468133696639
Energy: 0.5859914521243962
Energy: 0.6457468133696639
Energy: 0.5859914521243962
Energy: 0.6417025427578892
Energy: 0.655243921303709
Energy: 0.6417025427578892
Energy: 0.655243921303709
Energy: 0.6417025427578892
Energy: 0.655243921303709
Energy: 0.5416735013247646
Energy: 0.6226447226612514
Energy: 0.5416735013247646
Energy: 0.6226447226597415
Energy: 0.5416735013247646
Energy: 0.6226447226612514

minimum gb energy = 0.5363335298639348 eV
minimum distance =  2.38765212232516 Angstroms
sigma value = 33


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

Energy: 0.7342520805067538
Energy: 0.6680518687335896
Energy: 0.7342520805067538
Energy: 0.6680518687335896
Energy: 0.7342520805067538
Energy: 0.6680518687335896
Energy: 0.6701567648837335
Energy: 0.6919550947842363
Energy: 0.6701567648837335
Energy: 0.6919550947851941
Energy: 0.6701567648842125
Energy: 0.6919550947842363
Energy: 0.7099334785537174
Energy: 0.6926301869422844
Energy: 0.7099334785532385
Energy: 0.6926301869422844
Energy: 0.7099334785537174
Energy: 0.6926301869427633
Energy: 0.7100503906298493
Energy: 0.6837947316196598
Energy: 0.7100503906284128
Energy: 0.683794731618702
Energy: 0.7100503906298493
Energy: 0.6837947316191809
Energy: 0.6788031189595901
Energy: 0.6839183266674618
Energy: 0.6788031189600691
Energy: 0.6839183266674618
Energy: 0.6788031189595901
Energy: 0.6839183266674618
Energy: 0.7507979199095622
Energy: 0.7403576850032759
Energy: 0.7507979199090833
Energy: 0.7403576850037547
Energy: 0.7507979199095622
Energy: 0.7403576850032759
Energy: 0.6723336918063927
Energy: 0.6513206614192266
Energy: 0.6723336918063927
Energy: 0.6513206614192266
Energy: 0.6723336918063927
Energy: 0.6513206614192266
Energy: 0.7064142505831406
Energy: 0.7051989880844953
Energy: 0.7064142505831406
Energy: 0.7051989880844953
Energy: 0.7064142505836194
Energy: 0.7051989880849743
Energy: 0.6858831975206661
Energy: 0.713491754336088
Energy: 0.6858831975216239
Energy: 0.713491754336088
Energy: 0.6858831975221027
Energy: 0.713491754336088
Energy: 0.7263413155812366
Energy: 0.6529583097563973
Energy: 0.7263413155821943
Energy: 0.6902472996986049
Energy: 0.7263413155812366
Energy: 0.6723627944068472
Energy: 0.7054938408788199
Energy: 0.692150731116098
Energy: 0.7054938408788199
Energy: 0.692150731116098
Energy: 0.7054938408797777
Energy: 0.6921507311156192
Energy: 0.6708957147250005
Energy: 0.6750818823555033
Energy: 0.6708957147245216
Energy: 0.6750818823555033
Energy: 0.6708957147250005
Energy: 0.6750818823555033
Energy: 0.7276958062210864
Energy: 0.6725423840912045
Energy: 0.7276958062206075
Energy: 0.6725423840912045
Energy: 0.7276958062210864
Energy: 0.6725423840912045
Energy: 0.6741797746770285
Energy: 0.6956177149739079
Energy: 0.6741797746770285
Energy: 0.6956177149739079
Energy: 0.6741797746770285
Energy: 0.6956177149739079
Energy: 0.697283801310368
Energy: 0.6843006590486795
Energy: 0.697283801310368
Energy: 0.6843006590486795
Energy: 0.697283801310368
Energy: 0.6843006590482006
Energy: 0.7093609255974331
Energy: 0.7092477691432199
Energy: 0.7093609255974331
Energy: 0.7092477691436987
Energy: 0.7093609255974331
Energy: 0.7092477691441775
Energy: 0.6278809620853706
Energy: 0.6937043939427909
Energy: 0.6278809620858495
Energy: 0.6937043939427909
Energy: 0.6278809620853706
Energy: 0.693704393942312
Energy: 0.729552052670204
Energy: 0.7472361914765311
Energy: 0.7295520526706829
Energy: 0.7472361914765311
Energy: 0.7295520526706829
Energy: 0.7472361914765311
Energy: 0.6642299662952318
Energy: 0.7168219981448889
Energy: 0.6642299662952318
Energy: 0.7168219981448889
Energy: 0.6642299662952318
Energy: 0.7168219981448889
Energy: 0.6732722580117804
Energy: 0.69425636702307
Energy: 0.6732722580122592
Energy: 0.69425636702307
Energy: 0.6732722580117804
Energy: 0.6942563670225912
Energy: 0.7067533046418589
Energy: 0.7097570778415855
Energy: 0.7067533046423378
Energy: 0.7097570778420644
Energy: 0.7067533046423378
Energy: 0.7097570778420644
Energy: 0.6895937233076367
Energy: 0.6610885381578745
Energy: 0.6895937233081156
Energy: 0.6610885381578745
Energy: 0.6895937233081156
Energy: 0.6610885381578745
Energy: 0.6919908184550185
Energy: 0.6920669691790788
Energy: 0.6919908184550185
Energy: 0.6920669691795578
Energy: 0.6919908184550185
Energy: 0.6920669691790788
Energy: 0.7245017101793279
Energy: 0.6710595689582183
Energy: 0.7245017101798066
Energy: 0.6710595689586971
Energy: 0.7245017101793279
Energy: 0.6710595689586971
Energy: 0.6704819655038986
Energy: 0.6706090969547059
Energy: 0.6704819655038986
Energy: 0.6706090969542271
Energy: 0.6704819655038986
Energy: 0.6706090969547059
Energy: 0.6981259722433574
Energy: 0.7050420837478639
Energy: 0.6981259722433574
Energy: 0.7050420837483428
Energy: 0.6981259722433574
Energy: 0.7050420837478639
Energy: 0.6717607975455919
Energy: 0.6614814238661064
Energy: 0.6717607975455919
Energy: 0.6614814238656275
Energy: 0.6717607975451131
Energy: 0.6614814238656275
Energy: 0.709897071925183
Energy: 0.7485052439300602
Energy: 0.709897071925183
Energy: 0.7819025580480694
Energy: 0.709897071925183
Energy: 0.7387447412381475
Energy: 0.6678188217925184
Energy: 0.6904015881943909
Energy: 0.6678188217925184
Energy: 0.6904015881948699
Energy: 0.6678188217910817
Energy: 0.6904015881948699
Energy: 0.6639427589304133
Energy: 0.6484494962304812
Energy: 0.6639427589304133
Energy: 0.6484494962304812
Energy: 0.6639427589304133
Energy: 0.6484494962304812
Energy: 0.7498623968957199
Energy: 0.7368151811065049
Energy: 0.749862396895241
Energy: 0.7368151811055472
Energy: 0.7498623968957199
Energy: 0.7368151811065049
Energy: 0.6408241664908819
Energy: 0.6936438466791274
Energy: 0.6408241664904031
Energy: 0.6936438466791274
Energy: 0.6408241664899241
Energy: 0.6936438466791274
Energy: 0.7121942825036811
Energy: 0.7073392709831822
Energy: 0.7121942825036811
Energy: 0.7073392709836611
Energy: 0.71219428250416
Energy: 0.7073392709831822
Energy: 0.6938344930053585
Energy: 0.6863652831536922
Energy: 0.6938344930058372
Energy: 0.68636528315465
Energy: 0.6938344930053585
Energy: 0.6863652831536922
Energy: 0.6706090238803416
Energy: 0.6933590392146771
Energy: 0.6706090238803416
Energy: 0.6933590392141982
Energy: 0.6706090238817783
Energy: 0.6933590392146771
Energy: 0.7226966526339337
Energy: 0.6694561297118585
Energy: 0.7226966526334548
Energy: 0.6694561297113797
Energy: 0.7226966526329759
Energy: 0.6694561297123375
Energy: 0.6726574306249031
Energy: 0.6841875705636471
Energy: 0.6726574306244243
Energy: 0.6841875705636471
Energy: 0.6726574306244243
Energy: 0.6841875705636471

minimum gb energy = 0.6278809620853706 eV
minimum distance =  2.35914111998801 Angstroms
sigma value = 41


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

Energy: 0.836443536777981
Energy: 0.8060417419271143
Energy: 0.8364435367792885
Energy: 0.8060417419271143
Energy: 0.8364435367792885
Energy: 0.8060417419271143
Energy: 0.7863637758395793
Energy: 0.8031952453106775
Energy: 0.7863637758395793
Energy: 0.8031952453106775
Energy: 0.7863637758395793
Energy: 0.8031952453106775
Energy: 0.8727614135171081
Energy: 0.7996499886819162
Energy: 0.8727614135171081
Energy: 0.7996499886819162
Energy: 0.8727614135171081
Energy: 0.7996499886819162
Energy: 0.82995486812566
Energy: 0.8217179037168656
Energy: 0.82995486812566
Energy: 0.8217179037168656
Energy: 0.82995486812566
Energy: 0.8217179037168656
Energy: 0.7756659521862256
Energy: 0.796830584954477
Energy: 0.7756659521862256
Energy: 0.796830584954477
Energy: 0.7756659521862256
Energy: 0.796830584954477
Energy: 0.8962830024218433
Energy: 0.8606254311081796
Energy: 0.8962830024218433
Energy: 0.8606254311081796
Energy: 0.8962830024218433
Energy: 0.8606254311094871
Energy: 0.8275002657109314
Energy: 0.7645534337475633
Energy: 0.8275002657109314
Energy: 0.7645534337475633
Energy: 0.8275002657109314
Energy: 0.7645534337475633
Energy: 0.8344546683626697
Energy: 0.8041108153617271
Energy: 0.8344546683626697
Energy: 0.8041108153617271
Energy: 0.8344546683626697
Energy: 0.8041108153630346
Energy: 0.7262360988754699
Energy: 0.7862735093769188
Energy: 0.7262360988754699
Energy: 0.7862735093769188
Energy: 0.7262360988741623
Energy: 0.7862735093769188
Energy: 0.8299124731615746
Energy: 0.8129754923917184
Energy: 0.8299124731615746
Energy: 0.8129754923917184
Energy: 0.8299124731615746
Energy: 0.8129754923917184
Energy: 0.7388621644224359
Energy: 0.8002324184309747
Energy: 0.7388621644224359
Energy: 0.8002324184309747
Energy: 0.7388621644224359
Energy: 0.8002324184309747
Energy: 0.7847633457511313
Energy: 0.8034287088625441
Energy: 0.7847633457511313
Energy: 0.8034287088612366
Energy: 0.7847633457511313
Energy: 0.8034287088625441
Energy: 0.7371253665383597
Energy: 0.838488658060114
Energy: 0.7371253665383597
Energy: 0.838488658060114
Energy: 0.7371253665383597
Energy: 0.838488658060114
Energy: 0.7809623871955539
Energy: 0.8042126558479775
Energy: 0.7809623871955539
Energy: 0.8042126558479775
Energy: 0.7809623871955539
Energy: 0.804212655849285

minimum gb energy = 0.7262360988741623 eV
minimum distance =  2.34219884675624 Angstroms
sigma value = 11


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

Energy: 0.994261238338358
Energy: 0.9516692781639947
Energy: 0.9942612383389323
Energy: 0.9516692781645689
Energy: 0.9942612383389323
Energy: 0.9516692781639947
Energy: 0.87368046643444
Energy: 0.9074003118753022
Energy: 0.87368046643444
Energy: 0.9074003118753022
Energy: 0.87368046643444
Energy: 0.9074003118753022
Energy: 0.9290466004364877
Energy: 0.9151944328761683
Energy: 0.9290466004370619
Energy: 0.9151944328761683
Energy: 0.9290466004364877
Energy: 0.9151944328761683
Energy: 0.9190026069115452
Energy: 0.8740640363530141
Energy: 0.9190026069109709
Energy: 0.8740640363524396
Energy: 0.9190026069109709
Energy: 0.8740640363524396
Energy: 0.9324098545295466
Energy: 0.9035308662434389
Energy: 0.9324098545306954
Energy: 0.9035308662434389
Energy: 0.9324098545312698
Energy: 0.9035308662434389
Energy: 0.9043525564601901
Energy: 0.9413172310913254
Energy: 0.9043525564601901
Energy: 0.9413172310913254
Energy: 0.9043525564596158
Energy: 0.9413172310913254
Energy: 0.9158611609397819
Energy: 0.8985884423996346
Energy: 0.9158611609403561
Energy: 0.8985884423996346
Energy: 0.9158611609397819
Energy: 0.8985884423990601
Energy: 0.9083760108746068
Energy: 0.9130794806062804
Energy: 0.9083760108746068
Energy: 0.9130794806062804
Energy: 0.9083760108751812
Energy: 0.913079480605706
Energy: 0.9245539527704754
Energy: 0.9068971340354659
Energy: 0.9245539527710498
Energy: 0.9068971340348915
Energy: 0.9245539527710498
Energy: 0.9068971340348915
Energy: 0.9082781694450545
Energy: 0.9214000132372645
Energy: 0.9082781694450545
Energy: 0.9214000132372645
Energy: 0.9082781694450545
Energy: 0.9214000132372645
Energy: 0.8827035008692022
Energy: 0.9109500344083262
Energy: 0.8827035008692022
Energy: 0.9109500344083262
Energy: 0.8827035008697767
Energy: 0.9109500344083262
Energy: 0.9215549195036568
Energy: 0.9274667924535791
Energy: 0.9215549195042312
Energy: 0.9274667924535791
Energy: 0.9215549195030823
Energy: 0.9274667924535791
Energy: 0.9229347159088379
Energy: 0.8946484619764502
Energy: 0.9229347159082636
Energy: 0.8946484619764502
Energy: 0.9229347159088379
Energy: 0.8946484619764502
Energy: 0.9148496826193528
Energy: 0.9216955953134757
Energy: 0.9148496826187784
Energy: 0.9216955953134757
Energy: 0.9148496826193528
Energy: 0.9216955953134757
Energy: 0.9015222971304492
Energy: 0.9151435815310361
Energy: 0.9015222971304492
Energy: 0.9151435815310361
Energy: 0.9015222971304492
Energy: 0.9151435815310361
Energy: 0.916841784501655
Energy: 0.8977401819240028
Energy: 0.916841784501655
Energy: 0.8977401819234284
Energy: 0.916841784501655
Energy: 0.8977401819240028
Energy: 0.8851353127966344
Energy: 0.9136230232838858
Energy: 0.8851353127966344
Energy: 0.9136230232838858
Energy: 0.8851353127966344
Energy: 0.9136230232838858
Energy: 0.9458860239553242
Energy: 0.9288206514458529
Energy: 0.9458860239553242
Energy: 0.9288206514464273
Energy: 0.9458860239553242
Energy: 0.9288206514464273
Energy: 0.8957400236431894
Energy: 0.8591892521838219
Energy: 0.8957400236437638
Energy: 0.8591892521838219
Energy: 0.8957400236431894
Energy: 0.8591892521838219
Energy: 0.9051790384066438
Energy: 0.9078957363698269
Energy: 0.9051790384066438
Energy: 0.9078957363692527
Energy: 0.9051790384060694
Energy: 0.9078957363698269
Energy: 0.8891044849295555
Energy: 0.8984514052791702
Energy: 0.8891044849295555
Energy: 0.8984514052791702
Energy: 0.8891044849295555
Energy: 0.8984514052791702
Energy: 0.9551430215290773
Energy: 0.9415091177410797
Energy: 0.9551430215290773
Energy: 0.9415091177410797
Energy: 0.9551430215296515
Energy: 0.9415091177410797
Energy: 0.9114616970290436
Energy: 0.915083581335414
Energy: 0.9114616970290436
Energy: 0.915083581335414
Energy: 0.9114616970290436
Energy: 0.915083581335414
Energy: 0.9442040759708468
Energy: 0.9138385145715762
Energy: 0.9442040759714212
Energy: 0.9138385145715762
Energy: 0.9442040759719956
Energy: 0.9138385145710017
Energy: 0.9088166574058298
Energy: 0.9071382619896827
Energy: 0.9088166574058298
Energy: 0.9071382619896827
Energy: 0.9088166574058298
Energy: 0.9071382619891085
Energy: 0.8920991912133682
Energy: 0.9069165880067842
Energy: 0.8920991912133682
Energy: 0.9069165880067842
Energy: 0.8920991912133682
Energy: 0.9069165880067842
Energy: 0.8946813486007839
Energy: 0.9318767227756835
Energy: 0.8946813486007839
Energy: 0.931876722775109
Energy: 0.8946813486007839
Energy: 0.9318767227774065
Energy: 0.9203956469944231
Energy: 0.9016263473924332
Energy: 0.9203956469944231
Energy: 0.9016263473924332
Energy: 0.9203956469949975
Energy: 0.9016263473924332
Energy: 0.9159614348965931
Energy: 0.9236745537630366
Energy: 0.9159614348965931
Energy: 0.9236745537630366
Energy: 0.9159614348965931
Energy: 0.923674553763611
Energy: 0.9043535592435961
Energy: 0.8665230772076841
Energy: 0.9043535592435961
Energy: 0.8665230772082585
Energy: 0.9043535592435961
Energy: 0.8665230772076841
Energy: 0.9079662963183099
Energy: 0.9511765570281902
Energy: 0.9079662963183099
Energy: 0.9511765570281902
Energy: 0.9079662963183099
Energy: 0.9511765570281902

minimum gb energy = 0.8591892521838219 eV
minimum distance =  2.3191960181888 Angstroms
sigma value = 57


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

Energy: 0.8897221660278455
Energy: 0.8852838708065102
Energy: 0.8897221660278455
Energy: 0.8852838708054881
Energy: 0.8897221660278455
Energy: 0.8852838708065102
Energy: 0.92867974675051
Energy: 0.8780083413655723
Energy: 0.92867974675051
Energy: 0.8780083413665944
Energy: 0.92867974675051
Energy: 0.8780083413655723
Energy: 0.9355623765317167
Energy: 0.9126632380472449
Energy: 0.9355623765317167
Energy: 0.9126632380472449
Energy: 0.9355623765317167
Energy: 0.9126632380472449
Energy: 0.8940269637677013
Energy: 0.8676020743729269
Energy: 0.8940269637677013
Energy: 0.8676020743729269
Energy: 0.8940269637677013
Energy: 0.8676020743729269
Energy: 0.9355416900530689
Energy: 0.9126747524543226
Energy: 0.9355416900530689
Energy: 0.9126747524543226
Energy: 0.9355416900540912
Energy: 0.9126747524543226
Energy: 0.9284254562148797
Energy: 0.8769693346873296
Energy: 0.9284254562138574
Energy: 0.8769693346873296
Energy: 0.9284254562148797
Energy: 0.8769693346863074
Energy: 0.8897221660278455
Energy: 0.8852838708065102
Energy: 0.8897221660278455
Energy: 0.8852838708065102
Energy: 0.8897221660278455
Energy: 0.8852838708065102
Energy: 0.92867974675051
Energy: 0.8780083413655723
Energy: 0.92867974675051
Energy: 0.8780083413655723
Energy: 0.92867974675051
Energy: 0.8780083413655723
Energy: 0.9355623765317167
Energy: 0.9126632380482671
Energy: 0.9355623765327389
Energy: 0.9126632380482671
Energy: 0.9355623765317167
Energy: 0.9126632380472449
Energy: 0.8940269637677013
Energy: 0.8676020743729269
Energy: 0.8940269637677013
Energy: 0.8676020743729269
Energy: 0.8940269637677013
Energy: 0.8676020743729269
Energy: 0.9355416900530689
Energy: 0.9126747524543226
Energy: 0.9355416900540912
Energy: 0.9126747524543226
Energy: 0.9355416900530689
Energy: 0.9126747524543226
Energy: 0.9284254562148797
Energy: 0.8769693346863074
Energy: 0.9284254562148797
Energy: 0.8769693346873296
Energy: 0.9284254562148797
Energy: 0.8769693346873296
Energy: 0.8897221660278455
Energy: 0.8852838708065102
Energy: 0.8897221660278455
Energy: 0.8852838708065102
Energy: 0.8897221660278455
Energy: 0.8852838708065102
Energy: 0.92867974675051
Energy: 0.8780083413655723
Energy: 0.92867974675051
Energy: 0.8780083413665944
Energy: 0.92867974675051
Energy: 0.8780083413655723
Energy: 0.9355623765317167
Energy: 0.9126632380482671
Energy: 0.9355623765317167
Energy: 0.9126632380482671
Energy: 0.9355623765317167
Energy: 0.9126632380472449
Energy: 0.8940269637677013
Energy: 0.8873943574414175
Energy: 0.8940269637677013
Energy: 0.8873943574414175
Energy: 0.8940269637677013
Energy: 0.8873943574414175
Energy: 0.9355416900540912
Energy: 0.9126747524533004
Energy: 0.9355416900530689
Energy: 0.9126747524543226
Energy: 0.9355416900530689
Energy: 0.9126747524543226

minimum gb energy = 0.8676020743729269 eV
minimum distance =  2.3402496039051 Angstroms
sigma value = 9


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

Energy: 0.9775617290388766
Energy: 0.9161367413173759
Energy: 0.9775617290397111
Energy: 0.9161367413165412
Energy: 0.9775617290388766
Energy: 0.9161367413165412
Energy: 0.9473596100638799
Energy: 0.9150281741494883
Energy: 0.9473596100638799
Energy: 0.9150281741503229
Energy: 0.9473596100638799
Energy: 0.9150281741503229
Energy: 0.9384044665095311
Energy: 0.9412861956983184
Energy: 0.9384044665095311
Energy: 0.9412861956983184
Energy: 0.9384044665103278
Energy: 0.9412861956974837
Energy: 0.9230826901091311
Energy: 0.9883561738509816
Energy: 0.9230826901091311
Energy: 0.9883561738518161
Energy: 0.9230826901091311
Energy: 0.9883561738518161
Energy: 0.9488986515983492
Energy: 0.9434495865995489
Energy: 0.9488986515983492
Energy: 0.9434495865995489
Energy: 0.9488986515983492
Energy: 0.9434495865995489
Energy: 0.9504507456091252
Energy: 0.9454292246692197
Energy: 0.9504507456082905
Energy: 0.9454292246683853
Energy: 0.9504507456082905
Energy: 0.9454292246692197
Energy: 0.9348845290493986
Energy: 0.9487305944124178
Energy: 0.934884529048564
Energy: 0.9487305944115831
Energy: 0.934884529048564
Energy: 0.9487305944124178
Energy: 0.9337257303479103
Energy: 0.9691726280083227
Energy: 0.9337257303479103
Energy: 0.9691726280083227
Energy: 0.9337257303479103
Energy: 0.9691726280074883
Energy: 0.9989437739549049
Energy: 0.9600460072860393
Energy: 0.9989437739549049
Energy: 0.9600460072860393
Energy: 0.9989437739549049
Energy: 0.9600460072860393
Energy: 0.9381026311785289
Energy: 0.9329249873124642
Energy: 0.9381026311793633
Energy: 0.9329249873124642
Energy: 0.9381026311793633
Energy: 0.9329249873124642
Energy: 0.9281772215209709
Energy: 0.9462839354903729
Energy: 0.9281772215209709
Energy: 0.9462839354903729
Energy: 0.9281772215201365
Energy: 0.9462839354895384
Energy: 0.9645974526010722
Energy: 0.9538681340211201
Energy: 0.9645974526002378
Energy: 0.9538681340219548
Energy: 0.9645974526010722
Energy: 0.9538681340211201
Energy: 0.9299626018176695
Energy: 0.9682499196650254
Energy: 0.9299626018176695
Energy: 0.96824991966586
Energy: 0.9299626018185042
Energy: 0.9682499196650254
Energy: 0.9313341232710678
Energy: 0.9339402967701514
Energy: 0.9313341232710678
Energy: 0.9339402967693169
Energy: 0.9313341232710678
Energy: 0.9339402967701514
Energy: 0.9489660933350508
Energy: 0.9454402073698125
Energy: 0.9489660933350508
Energy: 0.9454402073698125
Energy: 0.9489660933350508
Energy: 0.945440207370647
Energy: 0.9779197965037465
Energy: 0.9442113504055147
Energy: 0.9779197965045809
Energy: 0.9442113504046801
Energy: 0.9779197965045809
Energy: 0.9442113504055147
Energy: 0.9599885410882885
Energy: 0.9445337737483867
Energy: 0.9599885410882885
Energy: 0.9445337737483867
Energy: 0.9599885410882885
Energy: 0.9445337737483867
Energy: 1.0310395386022735
Energy: 0.9391822814712666
Energy: 1.0310395386022735
Energy: 0.939182281472101
Energy: 1.0310395386022735
Energy: 0.9391822814729357
Energy: 0.9275296617174065
Energy: 0.9381090958534464
Energy: 0.9275296617174065
Energy: 0.9381090958534464
Energy: 0.9275296617174065
Energy: 0.9381090958534464
Energy: 0.9375329129377918
Energy: 0.9156811391907118
Energy: 0.9375329129377918
Energy: 0.9156811391907118
Energy: 0.9375329129377918
Energy: 0.9156811391907118
Energy: 0.9883654703428946
Energy: 0.954337614535803
Energy: 0.9883654703428946
Energy: 0.954337614535803
Energy: 0.9883654703428946
Energy: 0.954337614535803

minimum gb energy = 0.9150281741494883 eV
minimum distance =  2.31770974831851 Angstroms
sigma value = 27


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

Energy: 1.0078531947788558
Energy: 0.967946153123259
Energy: 0.9861080667046581
Energy: 0.967946153123259
Energy: 1.0078531947788558
Energy: 0.9679461531239624
Energy: 0.9952173026150375
Energy: 0.9051811455042666
Energy: 0.9952173026150375
Energy: 0.9051811455042666
Energy: 0.9952173026150375
Energy: 0.9051811455042666
Energy: 0.906894784877806
Energy: 0.9297889877357441
Energy: 0.9068947848771024
Energy: 0.9297889877357441
Energy: 0.906894784877806
Energy: 0.9297889877364477
Energy: 0.9065483774579007
Energy: 0.9652832118115648
Energy: 0.9065483774579007
Energy: 0.9652832118115648
Energy: 0.9065483774571974
Energy: 0.9652832118115648
Energy: 0.9057471953226147
Energy: 0.9467570429391016
Energy: 0.9057471953219113
Energy: 0.9467570429391016
Energy: 0.9057471953226147
Energy: 0.9467570429391016
Energy: 0.9391263145665665
Energy: 0.9745879688702024
Energy: 0.9391263145665665
Energy: 0.9745879688694988
Energy: 0.9391263145665665
Energy: 0.9745879688702024
Energy: 0.9259814528181582
Energy: 0.9656503112103154
Energy: 0.9259814528181582
Energy: 0.9656503112103154
Energy: 0.9259814528181582
Energy: 0.9656503112110189
Energy: 0.9805727139812223
Energy: 0.9069448638663199
Energy: 0.9805727139812223
Energy: 0.9069448638663199
Energy: 0.9805727139812223
Energy: 0.9069448638663199
Energy: 0.9989862440556646
Energy: 0.9257774263490259
Energy: 0.9988607243729248
Energy: 0.9257774263490259
Energy: 0.9989862440556646
Energy: 0.9257774263490259
Energy: 0.9887925139500275
Energy: 0.9293126357830176
Energy: 0.9888960842553741
Energy: 0.9293126357830176
Energy: 0.9887925139507309
Energy: 0.9293126357830176
Energy: 0.985309460182203
Energy: 0.9421462007532753
Energy: 0.9855122981003273
Energy: 0.9421462007539789
Energy: 0.9853094601814993
Energy: 0.9421462007539789
Energy: 0.9671887836241867
Energy: 0.9038687268019977
Energy: 0.9671887836241867
Energy: 0.9038687268019977
Energy: 0.9671887836241867
Energy: 0.9038687268027013
Energy: 0.9452488393362821
Energy: 0.9882410226048673
Energy: 0.9452488393362821
Energy: 0.9882410226048673
Energy: 0.9452488393362821
Energy: 0.9882410226048673
Energy: 0.9222211757692498
Energy: 0.9050655465502125
Energy: 0.9222211757692498
Energy: 0.9050655465495091
Energy: 0.9222211757692498
Energy: 0.9050655465502125
Energy: 0.9469609108829049
Energy: 0.9876106819005261
Energy: 0.9467786236366331
Energy: 0.9876106818998225
Energy: 0.9469609108829049
Energy: 0.9876106818998225
Energy: 0.9195321514419151
Energy: 0.9459595229023147
Energy: 0.9195321514419151
Energy: 0.9459595229023147
Energy: 0.9195321514419151
Energy: 0.9459595229030181
Energy: 0.9043546567978408
Energy: 0.9092114890941426
Energy: 0.9043546567978408
Energy: 0.9092114890941426
Energy: 0.9043546567978408
Energy: 0.9092114890941426
Energy: 0.9668105611324973
Energy: 0.9209901650332034
Energy: 0.966810561131794
Energy: 0.9209901650332034
Energy: 0.9668105611324973
Energy: 0.9209901650332034
Energy: 0.9228545322657128
Energy: 0.9052071038055385
Energy: 0.8624202921257615
Energy: 0.9052071038055385
Energy: 0.9228545322657128
Energy: 0.9052071038055385
Energy: 1.0078531947795593
Energy: 0.9679461531246659
Energy: 0.9861080667039546
Energy: 0.9679461531239624
Energy: 1.0078531947788558
Energy: 0.9679461531239624
Energy: 0.995217302615741
Energy: 0.9051811455042666
Energy: 0.995217302615741
Energy: 0.9051811455042666
Energy: 0.995217302615741
Energy: 0.9051811455042666
Energy: 0.9068947848771024
Energy: 0.9297889877357441
Energy: 0.9068947848771024
Energy: 0.9297889877357441
Energy: 0.9068947848771024
Energy: 0.9297889877357441
Energy: 0.9065483774579007
Energy: 0.9652832118115648
Energy: 0.9065483774586043
Energy: 0.9652832118115648
Energy: 0.9065483774579007
Energy: 0.9652832118115648
Energy: 0.9057471953226147
Energy: 0.946757042939805
Energy: 0.9057471953226147
Energy: 0.946757042939805
Energy: 0.9057471953219113
Energy: 0.946757042939805
Energy: 0.939126314565863
Energy: 0.9745879688702024
Energy: 0.939126314565863
Energy: 0.9745879688694988
Energy: 0.939126314565863
Energy: 0.9745879688694988

minimum gb energy = 0.8624202921257615 eV
minimum distance =  2.30463114414346 Angstroms
sigma value = 19


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

Energy: 0.9145754056779222
Energy: 0.9167291057639967
Energy: 0.9145754056779222
Energy: 0.9167291057639967
Energy: 0.9145754056785292
Energy: 0.9167291057639967
Energy: 0.9078563154539059
Energy: 0.8915411313181588
Energy: 0.9078563154539059
Energy: 0.8915411313181588
Energy: 0.9078563154539059
Energy: 0.8915411313181588
Energy: 0.911947505332608
Energy: 0.8699980763685131
Energy: 0.9119475053320009
Energy: 0.8699980763685131
Energy: 0.911947505332608
Energy: 0.8699980763685131
Energy: 0.8806433253375472
Energy: 0.9081225484589205
Energy: 0.8806433253375472
Energy: 0.9081225484589205
Energy: 0.8806433253375472
Energy: 0.9081225484589205
Energy: 0.894713065830914
Energy: 0.906861834986674
Energy: 0.8947130658315212
Energy: 0.906861834986674
Energy: 0.894713065830914
Energy: 0.9068618349860669
Energy: 0.9023201376503062
Energy: 0.8883084033304413
Energy: 0.9023201376503062
Energy: 0.8883084033304413
Energy: 0.9023201376503062
Energy: 0.8883084033304413
Energy: 0.8652472150408645
Energy: 0.923877564318477
Energy: 0.8652472150408645
Energy: 0.9238775643190841
Energy: 0.8652472150408645
Energy: 0.9238775643190841
Energy: 0.8913290697479811
Energy: 0.9427847442274289
Energy: 0.8913290697479811
Energy: 0.9427847442274289
Energy: 0.8913290697479811
Energy: 0.9427847442274289
Energy: 0.9538070937880986
Energy: 0.8681825047368972
Energy: 0.9538070937874913
Energy: 0.8681825047368972
Energy: 0.9538070937880986
Energy: 0.8681825047368972
Energy: 0.9128529806721094
Energy: 0.9043230948805485
Energy: 0.9128529806721094
Energy: 0.9043230948805485
Energy: 0.9128529806721094
Energy: 0.9043230948805485
Energy: 0.8754462286494159
Energy: 0.9239103906202804
Energy: 0.8754462286488087
Energy: 0.9239103906208876
Energy: 0.8754462286494159
Energy: 0.9239103906202804
Energy: 0.9129539135265868
Energy: 0.8682446382280778
Energy: 0.9129539135271941
Energy: 0.8682446382280778
Energy: 0.9129539135271941
Energy: 0.8682446382280778
Energy: 0.9002429194905252
Energy: 0.8962964741876823
Energy: 0.9002429194905252
Energy: 0.8962964741870749
Energy: 0.9002429194905252
Energy: 0.8962964741870749
Energy: 0.8849736287757686
Energy: 0.9000194070567069
Energy: 0.8849736287757686
Energy: 0.9000194070567069
Energy: 0.8849736287751613
Energy: 0.9000194070567069
Energy: 0.924460781805199
Energy: 0.8789366982376422
Energy: 0.9244607818045919
Energy: 0.8789366982376422
Energy: 0.924460781805199
Energy: 0.8789366982376422
Energy: 0.9114236618010818
Energy: 0.8641411497079742
Energy: 0.9114236618010818
Energy: 0.8641411497079742
Energy: 0.9114236618010818
Energy: 0.8641411497079742
Energy: 0.8798330061068119
Energy: 0.904261014406307
Energy: 0.8798330061074191
Energy: 0.9042610144057276
Energy: 0.8798330061074191
Energy: 0.9042610144069143
Energy: 0.9149613547077193
Energy: 0.9149781257533649
Energy: 0.9149613547077193
Energy: 0.9149781257533649
Energy: 0.9149613547077193
Energy: 0.9149781257533649
Energy: 0.900776123216061
Energy: 0.886088496477212
Energy: 0.900776123216061
Energy: 0.886088496477212
Energy: 0.900776123216061
Energy: 0.886088496477212
Energy: 0.8864810597894202
Energy: 0.9134281103486226
Energy: 0.8864810597894202
Energy: 0.9134281103492299
Energy: 0.8864810597894202
Energy: 0.9134281103486226
Energy: 0.8600511375391149
Energy: 0.923603529376644
Energy: 0.8600511375385078
Energy: 0.9236035293772514
Energy: 0.8600511375385078
Energy: 0.9236035293772514
Energy: 0.9564941966599485
Energy: 0.8687004284222425
Energy: 0.9564941966599485
Energy: 0.8687004284222425
Energy: 0.9564941966599485
Energy: 0.8687004284222425
Energy: 0.9545808906366005
Energy: 0.9062762159854575
Energy: 0.9545808906366005
Energy: 0.9062762159854575
Energy: 0.9545808906366005
Energy: 0.9062762159854575
Energy: 0.9112557382946651
Energy: 0.9197309381404293
Energy: 0.9112557382946651
Energy: 0.9197309381404293
Energy: 0.9112557382946651
Energy: 0.9197309381404293
Energy: 0.9016306185785906
Energy: 0.8687797924858933
Energy: 0.9016306185785906
Energy: 0.8687797924852861
Energy: 0.9016306185779833
Energy: 0.8687797924858933
Energy: 0.9092014981753244
Energy: 0.8868997235245578
Energy: 0.9092014981753244
Energy: 0.8868997235245578
Energy: 0.9092014981753244
Energy: 0.8868997235245578
Energy: 0.8748774506709935
Energy: 0.9033959263909559
Energy: 0.8748774506709935
Energy: 0.9033959263915631
Energy: 0.8748774506709935
Energy: 0.9033959263909559
Energy: 0.9218680610807797
Energy: 0.8930448687975484
Energy: 0.9218680610807797
Energy: 0.8930448687969412
Energy: 0.9218680610807797
Energy: 0.8930448687969412
Energy: 0.9082349182106403
Energy: 0.8925666766299877
Energy: 0.9082349182106403
Energy: 0.8925666766299877
Energy: 0.9082349182106403
Energy: 0.8925666766299877

minimum gb energy = 0.8600511375385078 eV
minimum distance =  2.31864293693161 Angstroms
sigma value = 101


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

Energy: 0.8580103607507146
Energy: 0.9095699125351656
Energy: 0.8580103607507146
Energy: 0.9095699125351656
Energy: 0.8580103607507146
Energy: 0.9095699125351656
Energy: 0.8826290454400804
Energy: 0.8505269383922813
Energy: 0.8826290454395467
Energy: 0.850526938392815
Energy: 0.8826290454405901
Energy: 0.8505269383922813
Energy: 0.8906064429809295
Energy: 0.8291098249410171
Energy: 0.8906064429809295
Energy: 0.8291098249410171
Energy: 0.8906064429809295
Energy: 0.8291098249410171
Energy: 0.8215800551388224
Energy: 0.897795614138364
Energy: 0.8215800551388224
Energy: 0.8977956141388976
Energy: 0.8215800551388224
Energy: 0.8977956141388976
Energy: 0.8577580775728013
Energy: 0.8610545917583246
Energy: 0.8577580775728013
Energy: 0.8610545917583246
Energy: 0.8577580775728013
Energy: 0.8610545917583246
Energy: 0.8911689029228523
Energy: 0.8287540431329505
Energy: 0.8911689029228523
Energy: 0.8287540431329505
Energy: 0.8911689029228523
Energy: 0.8287540431329505
Energy: 0.8491389928401187
Energy: 0.8850358515849044
Energy: 0.8491389928401187
Energy: 0.8850358515849044
Energy: 0.8491389928401187
Energy: 0.8850358515854381
Energy: 0.8192523568027306
Energy: 0.8896357221244163
Energy: 0.8192523568027306
Energy: 0.8896357221244163
Energy: 0.8192523568027306
Energy: 0.8896357221244163
Energy: 0.8895882049933762
Energy: 0.8294648120978978
Energy: 0.8895882049933762
Energy: 0.8294648120978978
Energy: 0.8895882049933762
Energy: 0.8294648120978978
Energy: 0.8581292796070585
Energy: 0.9025324398056894
Energy: 0.8581292796070585
Energy: 0.9025324398056894
Energy: 0.8581292796070585
Energy: 0.9025324398056894
Energy: 0.8175978062711787
Energy: 0.9813861362340094
Energy: 0.8175978062711787
Energy: 0.9813861362340094
Energy: 0.8175978062711787
Energy: 0.9813861362340094
Energy: 0.9170181416131673
Energy: 0.8502171078201153
Energy: 0.9170181416131673
Energy: 0.850217107820649
Energy: 0.9170181416131673
Energy: 0.850217107820649
Energy: 0.8781202644975874
Energy: 0.8287799599865225
Energy: 0.8781202644975874
Energy: 0.8287799599865225
Energy: 0.8781202644975874
Energy: 0.8287799599870562
Energy: 0.862270777152286
Energy: 0.9043963322760141
Energy: 0.862270777152286
Energy: 0.9043963322754803
Energy: 0.862270777152286
Energy: 0.9043963322760141
Energy: 0.9017494146025729
Energy: 0.8585297167899701
Energy: 0.9017494146025729
Energy: 0.8585297167899701
Energy: 0.9017494146025729
Energy: 0.8585297167905042
Energy: 0.8829513322009132
Energy: 0.828490912683881
Energy: 0.8829513322014468
Energy: 0.8284909126844148
Energy: 0.8829513322009132
Energy: 0.8284909126833473
Energy: 0.8152846220754019
Energy: 0.895553934524524
Energy: 0.8152846220754019
Energy: 0.8955539345255916
Energy: 0.8152846220748681
Energy: 0.895553934524524
Energy: 0.8136449203724906
Energy: 0.8860968316249352
Energy: 0.8136449203724906
Energy: 0.8860968316249352
Energy: 0.8136449203724906
Energy: 0.8860968316254689
Energy: 0.8890220351569632
Energy: 0.8291122405245782
Energy: 0.8890220351569632
Energy: 0.8291122405245782
Energy: 0.8890220351569632
Energy: 0.8291122405240445
Energy: 0.8341458885885256
Energy: 0.883851121221199
Energy: 0.834145888587458
Energy: 0.883851121221199
Energy: 0.8341458885869242
Energy: 0.8838511212206652
Energy: 0.8166297405824448
Energy: 0.9792516580210433
Energy: 0.8166297405829787
Energy: 0.979251658022111
Energy: 0.8166297405829787
Energy: 0.9792516580226448
Energy: 0.9096161565642157
Energy: 0.825108603324224
Energy: 0.9096161565642157
Energy: 0.8251086033247577
Energy: 0.9096161565652834
Energy: 0.8251086033247577
Energy: 0.9087673440849069
Energy: 0.8243974624236071
Energy: 0.9087673440849069
Energy: 0.8243974624241409
Energy: 0.9087673440849069
Energy: 0.8243974624241409
Energy: 0.8215006846872287
Energy: 0.9015699550574378
Energy: 0.8215006846872287
Energy: 0.9015699550569041
Energy: 0.8215006846877626
Energy: 0.9015699550574378
Energy: 0.9131420588074064
Energy: 0.8597059189323859
Energy: 0.9131420588079402
Energy: 0.8597059189323859
Energy: 0.9131420588084739
Energy: 0.8597059189329195
Energy: 0.8799646686664852
Energy: 0.8281903572475063
Energy: 0.8799646686659515
Energy: 0.8281903572475063
Energy: 0.8799646686664852
Energy: 0.8281903572469725
Energy: 0.8575409803927233
Energy: 0.8892847996707226
Energy: 0.8575409803927233
Energy: 0.8892847996707226
Energy: 0.8575409803927233
Energy: 0.8892847996707226
Energy: 0.8577361086588748
Energy: 0.8918358766665263
Energy: 0.8577361086588748
Energy: 0.8918358766670601
Energy: 0.8577361086583412
Energy: 0.8918358766665263
Energy: 0.9016966705960078
Energy: 0.8377965318200514
Energy: 0.9016966705960078
Energy: 0.8377965318200514
Energy: 0.9016966705960078
Energy: 0.8377965318200514
Energy: 0.8141680637279866
Energy: 0.8922890072426507
Energy: 0.8141680637279866
Energy: 0.8922890072431845
Energy: 0.8141680637279866
Energy: 0.8922890072431845
Energy: 0.8156941119586236
Energy: 0.874869066516173
Energy: 0.8156941119586236
Energy: 0.8748690665156392
Energy: 0.8156941119586236
Energy: 0.874869066516173
Energy: 0.9092567948197655
Energy: 0.8252127455676949
Energy: 0.9092567948197655
Energy: 0.8252127455676949
Energy: 0.9092567948197655
Energy: 0.8252127455676949
Energy: 0.9080319958330028
Energy: 0.8245316621611412
Energy: 0.9080319958330028
Energy: 0.8245316621606074
Energy: 0.9080319958330028
Energy: 0.8245316621606074

minimum gb energy = 0.8136449203724906 eV
minimum distance =  2.32962513360642 Angstroms
sigma value = 33


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

Energy: 0.015486414514794863
Energy: 0.6443278866098882
Energy: 0.015486414514794863
Energy: 0.6443278866098882
Energy: 0.015486414514794863
Energy: 0.6443278866098882
Energy: 0.016382845550598383
Energy: 0.25149400515571635
Energy: 0.016382845550598383
Energy: 0.2514940051552728
Energy: 0.016382845550598383
Energy: 0.25149400515571635
Energy: 0.6448243720763434
Energy: 0.25149248154022874
Energy: 0.6448243720763434
Energy: 0.2514924842216098
Energy: 0.6448243720763434
Energy: 0.25149248222855464
Energy: 0.016382845550598383
Energy: 0.25149400515571635
Energy: 0.016382845550598383
Energy: 0.25149400515571635
Energy: 0.016382845550598383
Energy: 0.25149400515571635

minimum gb energy = 0.015486414514794863 eV
minimum distance =  2.54313942734431 Angstroms
sigma value = 1