Model name: model_name=EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.050000071525574
cohesive_energy=3.360264240729233
mass=26.981538
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: -4.3766955338e-11 eV

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

Energy: 0.010351906870067581
Energy: 0.4096403254591026
Energy: 0.01035190687031744
Energy: 0.40964032545888046
Energy: 0.01035190687031744
Energy: 0.4096403254591026
Energy: 0.4096403254591026
Energy: 0.010467157887727768
Energy: 0.4096403254591026
Energy: 0.010467157886034282
Energy: 0.4096403254591026
Energy: 0.010467157886034282
Energy: 0.010351906870067581
Energy: 0.4096403254591026
Energy: 0.01035190687031744
Energy: 0.4096403254591026
Energy: 0.01035190687031744
Energy: 0.4096403254591026
Energy: 0.40964032545888046
Energy: 0.010467157887255812
Energy: 0.4096403254591026
Energy: 0.010467157887005953
Energy: 0.4096403254591026
Energy: 0.010467157887005953
Energy: 0.010351906870067581
Energy: 0.40964032545888046
Energy: 0.01035190687031744
Energy: 0.40964032545888046
Energy: 0.01035190687031744
Energy: 0.40964032545888046
Energy: 0.40964032545888046
Energy: 0.010467157888477343
Energy: 0.4096403254591026
Energy: 0.010467157887727768
Energy: 0.4096403254591026
Energy: 0.010467157887727768

minimum gb energy = 0.010351906870067581 eV
minimum distance =  2.86130844140878 Angstroms
sigma value = 1


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

Energy: 0.5440932823046261
Energy: 0.5318292348523146
Energy: 0.5440932823052274
Energy: 0.5318292348523146
Energy: 0.5440932823052274
Energy: 0.5318292348523146
Energy: 0.6263612929427202
Energy: 0.502039280084929
Energy: 0.6263612929427202
Energy: 0.502039280084929
Energy: 0.6263612929433218
Energy: 0.5020392800843276
Energy: 0.514789974159991
Energy: 0.5441081071964025
Energy: 0.514789974158788
Energy: 0.5441081071964025
Energy: 0.514789974159991
Energy: 0.5441081071964025
Energy: 0.6046689592787425
Energy: 0.5118944997775153
Energy: 0.6046689592787425
Energy: 0.511894499776914
Energy: 0.6046689592787425
Energy: 0.5118944997775153
Energy: 0.5217249246694452
Energy: 0.5565839086576286
Energy: 0.5217249246694452
Energy: 0.5565839086582302
Energy: 0.5217249246688437
Energy: 0.5565839086582302
Energy: 0.5552926010929634
Energy: 0.49710878832292044
Energy: 0.5552926010929634
Energy: 0.497108788322319
Energy: 0.5552926010935648
Energy: 0.497108788322319
Energy: 0.5095993825562238
Energy: 0.5290499636911847
Energy: 0.5095993825556222
Energy: 0.5290499636905834
Energy: 0.5095993825562238
Energy: 0.5290499636899819
Energy: 0.5122310787964732
Energy: 0.5625012711329492
Energy: 0.5122310787970747
Energy: 0.5625012711329492
Energy: 0.5122310787970747
Energy: 0.5625012711317463
Energy: 0.5605450497305057
Energy: 0.5438373892383421
Energy: 0.5605450497317086
Energy: 0.5438373892377407
Energy: 0.5605450497317086
Energy: 0.5438373892383421
Energy: 0.492339994092748
Energy: 0.5489563115297089
Energy: 0.492339994092748
Energy: 0.5489563115303103
Energy: 0.4923399940933495
Energy: 0.5489563115309118
Energy: 0.5284896580256496
Energy: 0.49740221029116527
Energy: 0.528489658026251
Energy: 0.49740221029116527
Energy: 0.5284896580256496
Energy: 0.49740221029116527
Energy: 0.49813697694759235
Energy: 0.5914635608577321
Energy: 0.49813697694819387
Energy: 0.5914635608565292
Energy: 0.49813697694759235
Energy: 0.5914635608577321
Energy: 0.5853344626063618
Energy: 0.4937708104105327
Energy: 0.5853344626063618
Energy: 0.4937708104111342
Energy: 0.5853344626057604
Energy: 0.4937708104105327
Energy: 0.5099442703976708
Energy: 0.522634392169822
Energy: 0.5099442703976708
Energy: 0.522634392169822
Energy: 0.5099442703976708
Energy: 0.5226343921704234
Energy: 0.5832139771267074
Energy: 0.4986830219170963
Energy: 0.583213977126106
Energy: 0.4986830219170963
Energy: 0.5832139771285116
Energy: 0.4986830219170963
Energy: 0.5893363416915072
Energy: 0.5397129785501262
Energy: 0.5893363416915072
Energy: 0.5397129785507278
Energy: 0.5893363416909058
Energy: 0.5397129785501262
Energy: 0.5171176160096288
Energy: 0.5324554422712324
Energy: 0.5171176160090275
Energy: 0.5324554422712324
Energy: 0.5171176160084259
Energy: 0.5324554422712324
Energy: 0.5168244614508264
Energy: 0.5369860748984585
Energy: 0.5168244614508264
Energy: 0.5369860748984585
Energy: 0.5168244614514278
Energy: 0.5369860748984585
Energy: 0.5282170406229643
Energy: 0.5114852514116723
Energy: 0.5282170406229643
Energy: 0.5114852514122736
Energy: 0.5282170406235658
Energy: 0.5114852514122736
Energy: 0.5522523404093986
Energy: 0.4972856519621486
Energy: 0.5522523404106016
Energy: 0.49728565196275004
Energy: 0.5522523404106016
Energy: 0.4972856519621486
Energy: 0.5085152127246186
Energy: 0.6660106823931782
Energy: 0.5085152127246186
Energy: 0.6660106823931782
Energy: 0.5085152127246186
Energy: 0.6660106823931782
Energy: 0.5575287515061109
Energy: 0.5281024021640138
Energy: 0.5575287515061109
Energy: 0.5281024021640138
Energy: 0.5575287515055095
Energy: 0.5281024021646152
Energy: 0.4952547004478883
Energy: 0.5856362997955633
Energy: 0.4952547004484898
Energy: 0.5856362997955633
Energy: 0.4952547004490912
Energy: 0.5856362997955633

minimum gb energy = 0.492339994092748 eV
minimum distance =  2.57278115127738 Angstroms
sigma value = 33


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

Energy: 0.5243210086148746
Energy: 0.5491184423149889
Energy: 0.5243210086152167
Energy: 0.5491184423149889
Energy: 0.5243210086148746
Energy: 0.5491184423149889
Energy: 0.5546260216588607
Energy: 0.5106716815233391
Energy: 0.5546260216571501
Energy: 0.5106716815233391
Energy: 0.5546260216561238
Energy: 0.5106716815236811
Energy: 0.48851979456419087
Energy: 0.5099162910139028
Energy: 0.48851979456419087
Energy: 0.5099162910139028
Energy: 0.48851979456453304
Energy: 0.5099162910132187
Energy: 0.5314985312237182
Energy: 0.5598538393550135
Energy: 0.531498531223034
Energy: 0.5598538393546715
Energy: 0.531498531222692
Energy: 0.5598538393546715
Energy: 0.5109901125314847
Energy: 0.5546240224915701
Energy: 0.5109901125311427
Energy: 0.5546240224925962
Energy: 0.5109901125318268
Energy: 0.5546240224915701
Energy: 0.5102690411482075
Energy: 0.4877036838552646
Energy: 0.5102690411488916
Energy: 0.4877036838552646
Energy: 0.5102690411495759
Energy: 0.4877036838552646
Energy: 0.5529889508881174
Energy: 0.5244220444187797
Energy: 0.5529889508901699
Energy: 0.5244220444187797
Energy: 0.5529889508898278
Energy: 0.5244220444180955
Energy: 0.48041434639955144
Energy: 0.5249919956728054
Energy: 0.4804143463988672
Energy: 0.5249919956721213
Energy: 0.48041434639920927
Energy: 0.5249919956721213
Energy: 0.5249379247260859
Energy: 0.48776198849596686
Energy: 0.524937924726428
Energy: 0.48776198849596686
Energy: 0.5249379247257437
Energy: 0.487761988496309
Energy: 0.4769530179049437
Energy: 0.5486281002529628
Energy: 0.4769530179039175
Energy: 0.5486281002526208
Energy: 0.4769530179032332
Energy: 0.5486281002522786
Energy: 0.5508906785890489
Energy: 0.4748725226634921
Energy: 0.5508906785873385
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Energy: 0.5508906785887069
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Energy: 0.48689286749810545
Energy: 0.5248071595839847
Energy: 0.4868928674987896
Energy: 0.5248071595839847
Energy: 0.48689286749810545
Energy: 0.5248071595839847
Energy: 0.5250128005018034
Energy: 0.48026947174088835
Energy: 0.5250128005024877
Energy: 0.48026947174088835
Energy: 0.525012800503514
Energy: 0.48026947174088835
Energy: 0.5289474527620893
Energy: 0.5511792400254617
Energy: 0.5289474527614051
Energy: 0.5511792400247776
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Energy: 0.5511792400254617
Energy: 0.5257412834147245
Energy: 0.5103642043718044
Energy: 0.5257412834143824
Energy: 0.5103642043718044
Energy: 0.5257412834150667
Energy: 0.5103642043718044
Energy: 0.4907873630082779
Energy: 0.5096544943723785
Energy: 0.4907873630082779
Energy: 0.5096544943720365
Energy: 0.49078736300759374
Energy: 0.5096544943720365
Energy: 0.5631207127058547
Energy: 0.5315374002417326
Energy: 0.5631207127044863
Energy: 0.5315374002547012
Energy: 0.5631207127055127
Energy: 0.531537400254359
Energy: 0.5096278174725477
Energy: 0.487675613046344
Energy: 0.5096278174725477
Energy: 0.48767561304702817
Energy: 0.5096278174715214
Energy: 0.48767561304702817
Energy: 0.5107741036919796
Energy: 0.5345738481154575
Energy: 0.5107741036930059
Energy: 0.5345738481161417
Energy: 0.51077410369369
Energy: 0.5345738481157997
Energy: 0.5497529585761024
Energy: 0.5261138854340883
Energy: 0.549752958575076
Energy: 0.5261138854340883
Energy: 0.549752958575076
Energy: 0.5261138854340883
Energy: 0.47943661203736354
Energy: 0.5249287454015701
Energy: 0.47943661203736354
Energy: 0.5249287454019121
Energy: 0.4794366120380477
Energy: 0.5249287454019121
Energy: 0.5098076519688356
Energy: 0.48776151524281736
Energy: 0.5098076519671251
Energy: 0.48776151524247524
Energy: 0.5098076519667829
Energy: 0.48776151524247524
Energy: 0.47284290015476516
Energy: 0.5512887200945426
Energy: 0.4728429001540809
Energy: 0.5512887200952267
Energy: 0.47284290015510727
Energy: 0.5512887200938584
Energy: 0.5527440522384092
Energy: 0.5105410530032588
Energy: 0.552744052238067
Energy: 0.5105410530032588
Energy: 0.5527440522384092
Energy: 0.5105410530032588
Energy: 0.48848786803080363
Energy: 0.5100642930602056
Energy: 0.48848786803011945
Energy: 0.5100642930605478
Energy: 0.48848786803080363
Energy: 0.5100642930608899
Energy: 0.5246455637260579
Energy: 0.5450823785181597
Energy: 0.5246455637253736
Energy: 0.5450823785174754
Energy: 0.5246455637260579
Energy: 0.5450823785185017
Energy: 0.5246846598960115
Energy: 0.5451984315095673
Energy: 0.5246846598970378
Energy: 0.545198431509225
Energy: 0.5246846598970378
Energy: 0.5451984315105934
Energy: 0.48852526859092466
Energy: 0.5102745933623488
Energy: 0.48852526859160883
Energy: 0.5102745933626909
Energy: 0.4885252685912667
Energy: 0.5102745933623488
Energy: 0.552589126564384
Energy: 0.5105858470053081
Energy: 0.5525891265640418
Energy: 0.5105858470046237
Energy: 0.5525891265636997
Energy: 0.5105858470046237
Energy: 0.47282842765818756
Energy: 0.551062624155988
Energy: 0.47282842765852967
Energy: 0.5510626241549617
Energy: 0.47282842765852967
Energy: 0.5510626241549617
Energy: 0.5098517147794155
Energy: 0.4877560205366114
Energy: 0.5098517147773629
Energy: 0.48775602053626926
Energy: 0.5098517147794155
Energy: 0.48775602053626926
Energy: 0.4794956335861224
Energy: 0.5248950309694632
Energy: 0.47949563358646446
Energy: 0.5248950309694632
Energy: 0.4794956335861224
Energy: 0.5248950309704895
Energy: 0.549827596856366
Energy: 0.5261086178254905
Energy: 0.549827596856366
Energy: 0.5261086178254905
Energy: 0.5498275968560239
Energy: 0.5261086178251484
Energy: 0.5107861135494114
Energy: 0.5346773003935393
Energy: 0.5107861135490691
Energy: 0.5346773003938815
Energy: 0.5107861135500955
Energy: 0.5346773003938815
Energy: 0.5095876463186971
Energy: 0.4877656300986507
Energy: 0.509587646314592
Energy: 0.48776563009967694
Energy: 0.5095876463142499
Energy: 0.4877656300986507
Energy: 0.5632104197953451
Energy: 0.5314789883947945
Energy: 0.5632104197956872
Energy: 0.5314789883951365
Energy: 0.5632104197956872
Energy: 0.5314789883951365
Energy: 0.49083065967691275
Energy: 0.5095466243675627
Energy: 0.49083065967862327
Energy: 0.5095466243682469
Energy: 0.49083065967862327
Energy: 0.5095466243682469
Energy: 0.5257800796671616
Energy: 0.5103816751204785
Energy: 0.5257800796661353
Energy: 0.5103816751201364
Energy: 0.525780079665109
Energy: 0.5103816751204785
Energy: 0.5289348678945323
Energy: 0.5513773818537405
Energy: 0.5289348678931639
Energy: 0.5513773818540827
Energy: 0.5289348678928217
Energy: 0.5513773818547669
Energy: 0.5249773765533176
Energy: 0.4803260467800238
Energy: 0.524977376555028
Energy: 0.4803260467803659
Energy: 0.5249773765553701
Energy: 0.4803260467800238
Energy: 0.4870311571410706
Energy: 0.5248472023987246
Energy: 0.4870311571420968
Energy: 0.5248472023970141
Energy: 0.48703115714175477
Energy: 0.5248472023980404

minimum gb energy = 0.47282842765818756 eV
minimum distance =  2.68917770876707 Angstroms
sigma value = 51


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

Energy: 0.537938793777004
Energy: 0.5354977636537449
Energy: 0.537938793777004
Energy: 0.5354977636537449
Energy: 0.537938793777004
Energy: 0.5354977636537449
Energy: 0.5816022784799766
Energy: 0.5118449622960709
Energy: 0.5816022784799766
Energy: 0.5118449622960709
Energy: 0.5816022784799766
Energy: 0.5118449622968635
Energy: 0.49711116396980065
Energy: 0.6116245858922756
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Energy: 0.6116245858922756
Energy: 0.4971111639705933
Energy: 0.6116245858922756
Energy: 0.5281848528246536
Energy: 0.48151683652441307
Energy: 0.5281848528254461
Energy: 0.48151683652441307
Energy: 0.5281848528246536
Energy: 0.48151683652441307
Energy: 0.5473880888284582
Energy: 0.5108084010956694
Energy: 0.5473880888292509
Energy: 0.5108084010956694
Energy: 0.5473880888284582
Energy: 0.5108084010956694
Energy: 0.5466681447530987
Energy: 0.5117639096157041
Energy: 0.5466681447538914
Energy: 0.5117639096157041
Energy: 0.5466681447530987
Energy: 0.5117639096157041
Energy: 0.5616644713646458
Energy: 0.5118186873815929
Energy: 0.5616644713646458
Energy: 0.5118186873808004
Energy: 0.5616644713646458
Energy: 0.5118186873808004
Energy: 0.49762724864768
Energy: 0.511577237057929
Energy: 0.49762724864768
Energy: 0.511577237057929
Energy: 0.49762724864768
Energy: 0.5115772370571364
Energy: 0.6047655763890057
Energy: 0.48433902329137896
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Energy: 0.48433902329137896
Energy: 0.6047655763882132
Energy: 0.48433902329137896
Energy: 0.5041348316964156
Energy: 0.6143994856001944
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Energy: 0.5552947066079714
Energy: 0.4851116134677451
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Energy: 0.4851116134677451
Energy: 0.5552947066079714
Energy: 0.4851116134677451
Energy: 0.5393883804794334
Energy: 0.5357808314401065
Energy: 0.5393883804794334
Energy: 0.5357808314408992
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Energy: 0.5357808314401065
Energy: 0.6181140295594906
Energy: 0.5112733320309195
Energy: 0.618114029560283
Energy: 0.5112733320309195
Energy: 0.6181140295594906
Energy: 0.5112733320309195
Energy: 0.49714085215302944
Energy: 0.5115505200248512
Energy: 0.49714085215302944
Energy: 0.5115505200248512
Energy: 0.49714085215302944
Energy: 0.5115505200248512
Energy: 0.5187071338861146
Energy: 0.544218449123763
Energy: 0.5187071338853219
Energy: 0.544218449123763
Energy: 0.5187071338861146
Energy: 0.544218449123763
Energy: 0.5446483712976342
Energy: 0.5114718340963125
Energy: 0.5446483712968417
Energy: 0.5114718340963125
Energy: 0.5446483712968417
Energy: 0.5114718340963125
Energy: 0.5465150101483671
Energy: 0.5544035319660007
Energy: 0.5465150101491598
Energy: 0.5544035319660007
Energy: 0.5465150101491598
Energy: 0.5544035319660007
Energy: 0.5170623289117462
Energy: 0.5119707191330265
Energy: 0.5170623289117462
Energy: 0.5119707191330265
Energy: 0.5170623289117462
Energy: 0.5119707191330265

minimum gb energy = 0.48151683652441307 eV
minimum distance =  2.56541774212156 Angstroms
sigma value = 19


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

Energy: 0.45693817718389956
Energy: 0.4391863616305668
Energy: 0.45693817718389956
Energy: 0.43918636163103686
Energy: 0.45693817718389956
Energy: 0.4391863616305668
Energy: 0.5017013075455543
Energy: 0.5288063842531354
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Energy: 0.5288063842536055
Energy: 0.5017013075455543
Energy: 0.5288063842521951
Energy: 0.4142249293666593
Energy: 0.5292098519785075
Energy: 0.41422492936618915
Energy: 0.5292098519775671
Energy: 0.4142249293657403
Energy: 0.5292098519771182
Energy: 0.48083289129735673
Energy: 0.4142210684727174
Energy: 0.48083289129735673
Energy: 0.4142210684727174
Energy: 0.48083289129688656
Energy: 0.4142210684727174
Energy: 0.434862696330393
Energy: 0.4569047046029249
Energy: 0.434862696330393
Energy: 0.4569047046029249
Energy: 0.4348626963313333
Energy: 0.4569047046019845
Energy: 0.4348224741916209
Energy: 0.4569306025347647
Energy: 0.4348224741911507
Energy: 0.45693060253335427
Energy: 0.4348224741916209
Energy: 0.45693060253523493
Energy: 0.4808633749070408
Energy: 0.4142166242514177
Energy: 0.4808633749093916
Energy: 0.4142166242509476
Energy: 0.480863374907511
Energy: 0.4142166242509476
Energy: 0.41422977626848556
Energy: 0.529110394881693
Energy: 0.41422977626895574
Energy: 0.5291103948812228
Energy: 0.41422977626848556
Energy: 0.5291103948798124
Energy: 0.5016376704514459
Energy: 0.5288299177526199
Energy: 0.5016376704509757
Energy: 0.5288299177526199
Energy: 0.5016376704514459
Energy: 0.5288299177521498
Energy: 0.45693817718389956
Energy: 0.4391863616315071
Energy: 0.45693817718389956
Energy: 0.4391863616305668
Energy: 0.45693817718389956
Energy: 0.43918636163103686
Energy: 0.5017013075450842
Energy: 0.5288063842526651
Energy: 0.5017013075450842
Energy: 0.5288063842526651
Energy: 0.5017013075460246
Energy: 0.5288063842526651
Energy: 0.41422492936618915
Energy: 0.5292098519789776
Energy: 0.41422492936618915
Energy: 0.5292098519780373
Energy: 0.41422492936618915
Energy: 0.5292098519780373
Energy: 0.4808328913006479
Energy: 0.4142210684722472
Energy: 0.48083289129782686
Energy: 0.4142210684727174
Energy: 0.48083289129782686
Energy: 0.4142210684727174
Energy: 0.434862696330393
Energy: 0.4569047046029249
Energy: 0.4348626963327438
Energy: 0.4569047046043354
Energy: 0.4348626963313333
Energy: 0.4569047046019845
Energy: 0.434822474192091
Energy: 0.45693060253523493
Energy: 0.434822474192091
Energy: 0.4569306025347647
Energy: 0.434822474192091
Energy: 0.4569306025338244
Energy: 0.48086337490657055
Energy: 0.4142166242509476
Energy: 0.4808633749079811
Energy: 0.4142166242509476
Energy: 0.48086337490657055
Energy: 0.4142166242514177
Energy: 0.41422977626989604
Energy: 0.5291103948793422
Energy: 0.4142297762694259
Energy: 0.529110394878872
Energy: 0.41422977626848556
Energy: 0.5291103948798124
Energy: 0.5016376704509757
Energy: 0.5288299177521498
Energy: 0.5016376704505056
Energy: 0.5288299177526199
Energy: 0.5016376704519161
Energy: 0.5288299177526199
Energy: 0.45693817718389956
Energy: 0.4391863616315071
Energy: 0.45693817718389956
Energy: 0.4391863616305668
Energy: 0.45693817718389956
Energy: 0.4391863616305668
Energy: 0.5017013075450842
Energy: 0.5288063842536055
Energy: 0.5017013075455543
Energy: 0.5288063842531354
Energy: 0.5017013075460246
Energy: 0.5288063842531354
Energy: 0.4142249293666593
Energy: 0.5292098519766482
Energy: 0.4142249293652702
Energy: 0.5292098519785075
Energy: 0.4142249293657403
Energy: 0.5292098519785075
Energy: 0.4808328912997076
Energy: 0.4142210684727174
Energy: 0.4808328913015882
Energy: 0.4142210684727174
Energy: 0.48083289129829704
Energy: 0.4142210684727174
Energy: 0.4348626963336842
Energy: 0.45690470460151444
Energy: 0.4348626963308631
Energy: 0.4569047046029249
Energy: 0.4348626963294527
Energy: 0.45690470460245475
Energy: 0.43482247419303144
Energy: 0.45693060253429457
Energy: 0.43482247419303144
Energy: 0.456930602535705
Energy: 0.4348224741925612
Energy: 0.45693060253335427
Energy: 0.4808633749084513
Energy: 0.4142166242509476
Energy: 0.480863374907511
Energy: 0.4142166242509476
Energy: 0.4808633749061005
Energy: 0.4142166242509476
Energy: 0.41422977626848556
Energy: 0.5291103948802826
Energy: 0.41422977626895574
Energy: 0.5291103948802826
Energy: 0.41422977626801544
Energy: 0.5291103948812228
Energy: 0.5016376704514459
Energy: 0.5288299177526199
Energy: 0.5016376704514459
Energy: 0.5288299177526199
Energy: 0.5016376704528563
Energy: 0.5288299177526199
Energy: 0.4569381771834294
Energy: 0.43918636163103686
Energy: 0.4569381771843698
Energy: 0.43918636163103686
Energy: 0.4569381771834294
Energy: 0.43918636163103686
Energy: 0.5017013075455543
Energy: 0.5288063842531354
Energy: 0.5017013075460246
Energy: 0.5288063842526651
Energy: 0.5017013075460246
Energy: 0.5288063842526651
Energy: 0.4142249293652702
Energy: 0.5292098519780373
Energy: 0.4142249293657403
Energy: 0.5292098519785075
Energy: 0.4142249293657403
Energy: 0.5292098519780373

minimum gb energy = 0.4142166242509476 eV
minimum distance =  2.58466905607514 Angstroms
sigma value = 27


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

Energy: 0.47637475643443633
Energy: 0.4201215944053279
Energy: 0.47637475643443633
Energy: 0.4201215944053279
Energy: 0.47637475643443633
Energy: 0.42012159440417624
Energy: 0.5726407512675177
Energy: 0.4648336244814184
Energy: 0.5726407512675177
Energy: 0.4648336244814184
Energy: 0.572640751266366
Energy: 0.4648336244814184
Energy: 0.4295500205536061
Energy: 0.5182972835556487
Energy: 0.4295500205513028
Energy: 0.5182972835556487
Energy: 0.42955002055015107
Energy: 0.5182972835556487
Energy: 0.5797970307868348
Energy: 0.4076440452363632
Energy: 0.5797970307868348
Energy: 0.4076440452363632
Energy: 0.5797970307879865
Energy: 0.4076440452352115
Energy: 0.5100137239388511
Energy: 0.40762820849340436
Energy: 0.5100137239388511
Energy: 0.40762820849340436
Energy: 0.5100137239388511
Energy: 0.40762820849340436
Energy: 0.49230950645877314
Energy: 0.523929317397032
Energy: 0.4923095064576215
Energy: 0.523929317397032
Energy: 0.49230950645877314
Energy: 0.5239293173981836
Energy: 0.40709778128322355
Energy: 0.46472050729246067
Energy: 0.40709778128322355
Energy: 0.46472050729246067
Energy: 0.4070977812820718
Energy: 0.464720507291309
Energy: 0.4616464933976022
Energy: 0.42161544928335226
Energy: 0.4616464933976022
Energy: 0.42161544928335226
Energy: 0.4616464933976022
Energy: 0.42161544928335226
Energy: 0.46731202850737946
Energy: 0.42917597890579917
Energy: 0.4673120285085311
Energy: 0.4291759788424836
Energy: 0.46731202850737946
Energy: 0.4291759776544842
Energy: 0.4768806472560361
Energy: 0.5195086596845181
Energy: 0.4768806472560361
Energy: 0.5195086596856697
Energy: 0.4768806472560361
Energy: 0.5195086596845181
Energy: 0.4202213846662059
Energy: 0.40689443586070567
Energy: 0.4202213846662059
Energy: 0.40689443586070567
Energy: 0.4202213846662059
Energy: 0.40689443586070567
Energy: 0.5076962113237556
Energy: 0.46756343209625356
Energy: 0.5076962113237556
Energy: 0.46756343209625356
Energy: 0.5076962113237556
Energy: 0.46756343209625356

minimum gb energy = 0.40689443586070567 eV
minimum distance =  2.55467754795744 Angstroms
sigma value = 9


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

Energy: 0.4292341309035641
Energy: 0.41443839990966713
Energy: 0.42923413090324053
Energy: 0.41443839990902
Energy: 0.42923413090388773
Energy: 0.41443839990966713
Energy: 0.5541512374140705
Energy: 0.3950588335979358
Energy: 0.5541512374118053
Energy: 0.3950588335982594
Energy: 0.5541512374082459
Energy: 0.3950588335982594
Energy: 0.3746397580946356
Energy: 0.5627850255748087
Energy: 0.37463975809334127
Energy: 0.5627850255764266
Energy: 0.3746397580943121
Energy: 0.5627850255757796
Energy: 0.40052481569759607
Energy: 0.39220917227277213
Energy: 0.4005248156953309
Energy: 0.39220917227309565
Energy: 0.4005248156959781
Energy: 0.39220917227277213
Energy: 0.42603350687466945
Energy: 0.40010583805578104
Energy: 0.4260335068753166
Energy: 0.40010583805610456
Energy: 0.42603350687564023
Energy: 0.40010583805578104
Energy: 0.4216596788446896
Energy: 0.4138798837068388
Energy: 0.4216596788446896
Energy: 0.413879883707486
Energy: 0.4216596788437188
Energy: 0.41387988370813317
Energy: 0.3967200875728084
Energy: 0.44995850401785176
Energy: 0.3967200875737792
Energy: 0.44995850401752824
Energy: 0.39672008757313204
Energy: 0.44995850401785176
Energy: 0.3641159969548857
Energy: 0.4674978002123399
Energy: 0.36411599695585645
Energy: 0.4674978002123399
Energy: 0.3641159969548857
Energy: 0.46749780021201626
Energy: 0.5342765397566434
Energy: 0.3997146818956482
Energy: 0.5342765397563197
Energy: 0.3997146818956482
Energy: 0.5342765397556726
Energy: 0.399714681895001
Energy: 0.42837363923960103
Energy: 0.5793477399707357
Energy: 0.4283736392383066
Energy: 0.5793477399713829
Energy: 0.42837363923863025
Energy: 0.5793477399710593
Energy: 0.4022225584607294
Energy: 0.38099570906308117
Energy: 0.4022225584607294
Energy: 0.38099570906340474
Energy: 0.40222255845943505
Energy: 0.38099570906275765
Energy: 0.3937289807998378
Energy: 0.42883326641479586
Energy: 0.3937289808008086
Energy: 0.42883326641350145
Energy: 0.3937289807998378
Energy: 0.428833266413825
Energy: 0.42258666590782984
Energy: 0.4024254538763237
Energy: 0.42258666591268373
Energy: 0.4024254538769708
Energy: 0.4225866659100951
Energy: 0.40242545387664724
Energy: 0.4292566690873884
Energy: 0.4740369363890694
Energy: 0.429256669086094
Energy: 0.47403693638939304
Energy: 0.42925666908512333
Energy: 0.47403693638971667
Energy: 0.39652036801837537
Energy: 0.4332452986705761
Energy: 0.39652036801805185
Energy: 0.4332452986705761
Energy: 0.39652036801837537
Energy: 0.4332452986708997
Energy: 0.38091252268144093
Energy: 0.40663395573629063
Energy: 0.380912522678205
Energy: 0.40663395573564337
Energy: 0.3809125226807938
Energy: 0.4066339557372613
Energy: 0.5087661765495521
Energy: 0.5011451409888725
Energy: 0.5087661765492285
Energy: 0.5011451409898434
Energy: 0.5087661765498758
Energy: 0.5011451409869311
Energy: 0.4012196127069369
Energy: 0.40068811943325716
Energy: 0.4012196127079077
Energy: 0.40068811943325716
Energy: 0.40121961270661327
Energy: 0.40068811943325716
Energy: 0.36644052614840217
Energy: 0.5500674987599984
Energy: 0.36644052614581346
Energy: 0.5500674987603219
Energy: 0.3664405261474314
Energy: 0.5500674987599984
Energy: 0.5649367280567069
Energy: 0.4110041042925566
Energy: 0.5649367280570304
Energy: 0.41100410429223305
Energy: 0.5649367280563833
Energy: 0.4110041042925566
Energy: 0.36661289219622567
Energy: 0.5499932987064267
Energy: 0.3666128921965493
Energy: 0.5499932987067503
Energy: 0.3666128921968728
Energy: 0.5499932987067503
Energy: 0.4011952196143594
Energy: 0.4007711469460102
Energy: 0.40119521961403576
Energy: 0.4007711469460102
Energy: 0.40119521961597737
Energy: 0.40077114694568655
Energy: 0.5087874739563328
Energy: 0.501114673746903
Energy: 0.5087874739553621
Energy: 0.5011146737472266
Energy: 0.5087874739560093
Energy: 0.5011146737462558
Energy: 0.38059874440797625
Energy: 0.39734373113576993
Energy: 0.3805987444076526
Energy: 0.39734373113576993
Energy: 0.380598744407329
Energy: 0.3973437311347992
Energy: 0.3965070386338548
Energy: 0.43328397208665187
Energy: 0.39650703863353115
Energy: 0.4332839720869755
Energy: 0.3965070386341783
Energy: 0.4332839720869755
Energy: 0.42931404313383814
Energy: 0.474848103261674
Energy: 0.4293140431341617
Energy: 0.4748481032619975
Energy: 0.4293140431351325
Energy: 0.47484810326232113
Energy: 0.4226152974699818
Energy: 0.4023703027219937
Energy: 0.4226152974709526
Energy: 0.4023703027216701
Energy: 0.422615297472247
Energy: 0.4023703027210229
Energy: 0.3937399445732876
Energy: 0.3895381828469682
Energy: 0.3937399445732876
Energy: 0.3895381828469682
Energy: 0.39373994457393474
Energy: 0.38953818284664465
Energy: 0.40221482295518085
Energy: 0.3809844206741322
Energy: 0.4022148229532393
Energy: 0.38098442067380867
Energy: 0.40221482295518085
Energy: 0.3809844206744558
Energy: 0.4281899478385955
Energy: 0.5977644178838002
Energy: 0.42818994783924275
Energy: 0.597764417883153
Energy: 0.4281899478389191
Energy: 0.5977644178834767
Energy: 0.5343384214835014
Energy: 0.3998814674869444
Energy: 0.5343384214831778
Energy: 0.3998814674869444
Energy: 0.5343384214841487
Energy: 0.3998814674869444
Energy: 0.3642353054197231
Energy: 0.4675667495890163
Energy: 0.3642353054213411
Energy: 0.4675667495890163
Energy: 0.36423530541907595
Energy: 0.46756674958869276
Energy: 0.3968572459638537
Energy: 0.4498741381814334
Energy: 0.3968572459641773
Energy: 0.449874138181757
Energy: 0.39685724596547167
Energy: 0.449874138181757
Energy: 0.42158952938553246
Energy: 0.49676145518302156
Energy: 0.42158952938391453
Energy: 0.49676145518463954
Energy: 0.4215895293848853
Energy: 0.4967614551820508
Energy: 0.42630908596856176
Energy: 0.39992448922147666
Energy: 0.42630908596856176
Energy: 0.39992448922147666
Energy: 0.42630908596856176
Energy: 0.39992448922147666
Energy: 0.40061041843320006
Energy: 0.3922211069703675
Energy: 0.40061041843320006
Energy: 0.3922211069703675
Energy: 0.4006104184328765
Energy: 0.3922211069703675
Energy: 0.37452630757941724
Energy: 0.562930715800159
Energy: 0.37452630757974087
Energy: 0.5629307157949814
Energy: 0.3745263075781229
Energy: 0.5629307158021004
Energy: 0.5824759099424027
Energy: 0.4336926604726959
Energy: 0.582475909943697
Energy: 0.4336926604726959
Energy: 0.5824759099430499
Energy: 0.43369266047301946
Energy: 0.4292341309051821
Energy: 0.4144383999080492
Energy: 0.4292341309051821
Energy: 0.4144383999077257
Energy: 0.4292341309051821
Energy: 0.4144383999077257
Energy: 0.5541512374108345
Energy: 0.39355221856068345
Energy: 0.5541512374163355
Energy: 0.39355221856068345
Energy: 0.5541512374147176
Energy: 0.39355221856068345
Energy: 0.37463975809334127
Energy: 0.5627850255783682
Energy: 0.37463975809334127
Energy: 0.5627850255767503
Energy: 0.37463975809366484
Energy: 0.5627850255770739
Energy: 0.40052481569500725
Energy: 0.3922091722740665
Energy: 0.40052481569338927
Energy: 0.3922091722740665
Energy: 0.40052481569500725
Energy: 0.3922091722740665
Energy: 0.42603350687790537
Energy: 0.40010583805610456
Energy: 0.42603350687952335
Energy: 0.40010583805610456
Energy: 0.4260335068791997
Energy: 0.4001058380564282

minimum gb energy = 0.3641159969548857 eV
minimum distance =  2.64214860291174 Angstroms
sigma value = 57


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

Energy: 0.3033986008105401
Energy: 0.2687496583323182
Energy: 0.16650666958766827
Energy: 0.2687496583293717
Energy: 0.3033986008075937
Energy: 0.2687496583293717
Energy: 0.35402653910893433
Energy: 0.2711036794588784
Energy: 0.35402653911114423
Energy: 0.2704626167178803
Energy: 0.3540265391118808
Energy: 0.27110367945666863
Energy: 0.2986225338514072
Energy: 0.33444694275622194
Energy: 0.2986225338514072
Energy: 0.38805858600255355
Energy: 0.29862253385067056
Energy: 0.3344469429226289
Energy: 0.2704126546640741
Energy: 0.23432739374716127
Energy: 0.27041265466554737
Energy: 0.16669233052759175
Energy: 0.27041265466554737
Energy: 0.2343273937486345
Energy: 0.24604295461626077
Energy: 0.3525918566209812
Energy: 0.24604295461552414
Energy: 0.3525918566195079
Energy: 0.24604295461478753
Energy: 0.35259185661729814
Energy: 0.16674580311945536
Energy: 0.30116768366542684
Energy: 0.16674580311871876
Energy: 0.3011676836646902
Energy: 0.16674580312166523
Energy: 0.30116768366321706
Energy: 0.1671349647746697
Energy: 0.1967274453045781
Energy: 0.1671349647754063
Energy: 0.19672744530384148
Energy: 0.1671349647746697
Energy: 0.19672744530605132
Energy: 0.353243102366737
Energy: 0.24504435534976998
Energy: 0.3532431023637905
Energy: 0.24504435535124316
Energy: 0.3532431023637905
Energy: 0.24504435535492625
Energy: 0.27054096389291404
Energy: 0.16665485784822004
Energy: 0.2705409638943872
Energy: 0.23434001177456357
Energy: 0.2705409638936506
Energy: 0.1666548578467468
Energy: 0.19679211524618512
Energy: 0.3589144662567613
Energy: 0.19679211524765836
Energy: 0.35891446625528806
Energy: 0.19679211524986814
Energy: 0.3589144662545515
Energy: 0.24609527963267366
Energy: 0.3422209078166428
Energy: 0.24609527963267366
Energy: 0.3422209078203258
Energy: 0.246095279631937
Energy: 0.3422209078166428
Energy: 0.30339860080980346
Energy: 0.26874965833158154
Energy: 0.16650666958840488
Energy: 0.2687496583286351
Energy: 0.3033986008075937
Energy: 0.2687496583286351
Energy: 0.35402653910819776
Energy: 0.271103679455932
Energy: 0.354026539109671
Energy: 0.27046261672009014
Energy: 0.3540265391126174
Energy: 0.2711036794544588
Energy: 0.2986225338514072
Energy: 0.33444694084411564
Energy: 0.2986225338514072
Energy: 0.3880585860040267
Energy: 0.2986225338521439
Energy: 0.33444694097221883
Energy: 0.27041265466628395
Energy: 0.23432739374716127
Energy: 0.2704126546670206
Energy: 0.16669233052611854
Energy: 0.27041265466628395
Energy: 0.2343273937486345
Energy: 0.2460429546140509
Energy: 0.3525918566202446
Energy: 0.24604295461331432
Energy: 0.35259185661729814
Energy: 0.24604295461257772
Energy: 0.3525918566150883
Energy: 0.166745803120192
Energy: 0.3011676836661635
Energy: 0.16674580311798215
Energy: 0.30116768366395363
Energy: 0.166745803120192
Energy: 0.30116768366321706
Energy: 0.16713496477905587
Energy: 0.19672744530384148
Energy: 0.16713496477761616
Energy: 0.1967274453045781
Energy: 0.16713496477831927
Energy: 0.19672744530605132
Energy: 0.353243102366737
Energy: 0.24504435534976998
Energy: 0.3532431023630539
Energy: 0.24504435534903335
Energy: 0.3532431023630539
Energy: 0.24504435535124316

minimum gb energy = 0.16650666958766827 eV
minimum distance =  2.77902648066365 Angstroms
sigma value = 11


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

Energy: 0.3878166010318853
Energy: 0.4124477998179417
Energy: 0.3878166010318853
Energy: 0.4124477998174022
Energy: 0.3878166010324249
Energy: 0.4124477998168626
Energy: 0.45622046221925855
Energy: 0.3887177330120936
Energy: 0.4562204622181794
Energy: 0.38871773301155405
Energy: 0.45622046221871904
Energy: 0.3887177330120936
Energy: 0.4465975285669837
Energy: 0.5600196930763225
Energy: 0.4465975285675233
Energy: 0.5600196930763225
Energy: 0.4465975285686024
Energy: 0.5600196930763225
Energy: 0.4567510636524738
Energy: 0.365450545545715
Energy: 0.4567510636524738
Energy: 0.36545054554517536
Energy: 0.4567510636524738
Energy: 0.36545054554463585
Energy: 0.40288863902709116
Energy: 0.32903737337385874
Energy: 0.40288863902709116
Energy: 0.32903737337385874
Energy: 0.4028886390265516
Energy: 0.32903737337385874
Energy: 0.407841808602327
Energy: 0.4284755683634258
Energy: 0.40784180860178737
Energy: 0.4284755683634258
Energy: 0.40784180860070823
Energy: 0.4284755683628862
Energy: 0.34119033085088907
Energy: 0.4838088531865371
Energy: 0.3411903308514286
Energy: 0.4838088531865371
Energy: 0.3411903308535869
Energy: 0.4838088531865371
Energy: 0.41719450366175986
Energy: 0.31975969405043253
Energy: 0.41719450366122024
Energy: 0.31975969405043253
Energy: 0.41719450366175986
Energy: 0.3197596940509721
Energy: 0.4166378350928761
Energy: 0.3148112783608783
Energy: 0.4166378350934156
Energy: 0.31481127836033873
Energy: 0.4166378350934156
Energy: 0.31481127836033873
Energy: 0.32234865615791564
Energy: 0.49654618406085765
Energy: 0.3223486561595344
Energy: 0.49654618406085765
Energy: 0.32234865615791564
Energy: 0.49654618406085765
Energy: 0.4271756251909913
Energy: 0.4899910690960404
Energy: 0.4271756251882934
Energy: 0.4899910690960404
Energy: 0.4271756251893725
Energy: 0.4899910690960404
Energy: 0.39313364055558275
Energy: 0.3310568843944345
Energy: 0.39313364055612227
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Energy: 0.39313364055504313
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Energy: 0.4217168541085326
Energy: 0.3768242907730931
Energy: 0.4217168541101513
Energy: 0.3768242907725535
Energy: 0.4217168541085326
Energy: 0.3768242907725535
Energy: 0.45351631807493337
Energy: 0.5443424129159989
Energy: 0.45351631807331466
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Energy: 0.45351631807331466
Energy: 0.5443424129165385
Energy: 0.4457223375006075
Energy: 0.3908616958687331
Energy: 0.4457223375016867
Energy: 0.39086169586819347
Energy: 0.44572233750114715
Energy: 0.3908616958687331
Energy: 0.38858715883360406
Energy: 0.4133740603280357
Energy: 0.38858715883306444
Energy: 0.4133740603280357
Energy: 0.3885871588346832
Energy: 0.41337406032749613
Energy: 0.36466263052309766
Energy: 0.38812954148522677
Energy: 0.36466263052363723
Energy: 0.38812954148522677
Energy: 0.36466263052309766
Energy: 0.38812954148522677
Energy: 0.5047744281272136
Energy: 0.53222522972942
Energy: 0.5047744281266741
Energy: 0.5322252297288804
Energy: 0.5047744281266741
Energy: 0.5322252297299596
Energy: 0.488643554112085
Energy: 0.3657100547540177
Energy: 0.48864355411370364
Energy: 0.3657100547540177
Energy: 0.48864355411370364
Energy: 0.3657100547545573
Energy: 0.40334596309586307
Energy: 0.3733624362986868
Energy: 0.403345963094784
Energy: 0.3733624362986868
Energy: 0.40334596309586307
Energy: 0.3733624362986868
Energy: 0.33112364818663653
Energy: 0.4290913899907595
Energy: 0.33112364818771567
Energy: 0.4290913899907595
Energy: 0.3311236481871761
Energy: 0.4290913899907595
Energy: 0.4156511474242821
Energy: 0.45366064264418793
Energy: 0.41565114744424664
Energy: 0.45366064264418793
Energy: 0.4156511474447862
Energy: 0.45366064264310874
Energy: 0.4475471524390878
Energy: 0.3922614640181468
Energy: 0.4475471524380086
Energy: 0.3922614640176072
Energy: 0.4475471524380086
Energy: 0.3922614640181468
Energy: 0.41497007745197234
Energy: 0.3624399365280505
Energy: 0.4149700774514328
Energy: 0.3624399365280505
Energy: 0.41497007745197234
Energy: 0.3624399365280505
Energy: 0.3310285468197062
Energy: 0.4941805718546935
Energy: 0.3310285468197062
Energy: 0.4941805718552331
Energy: 0.3310285468202458
Energy: 0.49418057185415387
Energy: 0.5716035244750711
Energy: 0.5003480257012283
Energy: 0.5716035244745316
Energy: 0.5003480257012283
Energy: 0.5716035244745316
Energy: 0.5003480257006887

minimum gb energy = 0.31481127836033873 eV
minimum distance =  2.63594611708073 Angstroms
sigma value = 41


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

Energy: 0.43594782526964343
Energy: 0.35291401474131784
Energy: 0.43594782526964343
Energy: 0.35291401474131784
Energy: 0.43594782526964343
Energy: 0.35291401474131784
Energy: 0.46938133016648786
Energy: 0.4536508584940038
Energy: 0.4693813301656374
Energy: 0.4536508584940038
Energy: 0.4693813301656374
Energy: 0.4536508584940038
Energy: 0.5515565148070688
Energy: 0.6289588308399512
Energy: 0.5515565148070688
Energy: 0.6289588308399512
Energy: 0.5515565148066436
Energy: 0.6289588308395259
Energy: 0.42587010360236205
Energy: 0.3538383317910365
Energy: 0.4258701036027873
Energy: 0.3538383317910365
Energy: 0.4258701036027873
Energy: 0.3538383317914618
Energy: 0.33392114750734747
Energy: 0.3724157607400792
Energy: 0.3339211475069222
Energy: 0.3724157607400792
Energy: 0.33392114750734747
Energy: 0.3724157607396538
Energy: 0.4628676873101628
Energy: 0.5294359820019345
Energy: 0.4628676873097568
Energy: 0.5294359820019345
Energy: 0.4628676873101628
Energy: 0.5294359820019345
Energy: 0.3783621395819818
Energy: 0.538921371153387
Energy: 0.37836213957985537
Energy: 0.538921371153387
Energy: 0.3783621395828324
Energy: 0.5389213711538122
Energy: 0.356698157410618
Energy: 0.3539463812211221
Energy: 0.356698157410618
Energy: 0.3539463812211221
Energy: 0.35669815741104327
Energy: 0.3539463812211221
Energy: 0.33921159406927304
Energy: 0.35786109503491426
Energy: 0.33921159406884777
Energy: 0.35786109503448893
Energy: 0.33921159406884777
Energy: 0.35786109503491426
Energy: 0.4207880843004499
Energy: 0.5593457194721964
Energy: 0.42078808430172576
Energy: 0.5593457194721964
Energy: 0.4207880843004499
Energy: 0.5593457194717711
Energy: 0.4229575587694786
Energy: 0.5157578058605325
Energy: 0.4229575587699039
Energy: 0.5157578058613831
Energy: 0.4229575587699039
Energy: 0.5157578058601072
Energy: 0.33851679147000324
Energy: 0.4203701434504412
Energy: 0.33851679146915264
Energy: 0.4203701434504412
Energy: 0.33851679146957797
Energy: 0.4203701434504412
Energy: 0.35417867513932066
Energy: 0.3535260170064409
Energy: 0.35417867513932066
Energy: 0.3535260170064409
Energy: 0.35417867513932066
Energy: 0.3535260170064409
Energy: 0.3337370595848671
Energy: 0.5048677906955232
Energy: 0.3337370595848671
Energy: 0.5048677906972243
Energy: 0.3337370595852924
Energy: 0.5048677906972243
Energy: 0.46112504477802796
Energy: 0.5305375628269053
Energy: 0.46112504477760263
Energy: 0.5305375628269053
Energy: 0.46112504477802796
Energy: 0.5305375628269053
Energy: 0.3349669829691855
Energy: 0.42416181927614244
Energy: 0.33496698296876015
Energy: 0.4241618192757172
Energy: 0.33496698296876015
Energy: 0.42416181927614244
Energy: 0.3540586953767288
Energy: 0.35340987873867796
Energy: 0.3540586953771541
Energy: 0.35340987873867796
Energy: 0.3540586953767288
Energy: 0.35340987873867796
Energy: 0.46333879005668654
Energy: 0.6302764097303465
Energy: 0.46333879005668654
Energy: 0.6302764097303465
Energy: 0.46333879005626116
Energy: 0.6302764097299212
Energy: 0.4680941014106998
Energy: 0.4535208657712811
Energy: 0.46809410141155033
Energy: 0.4535208657712811
Energy: 0.46809410141112506
Energy: 0.4535208657712811
Energy: 0.43811386296967814
Energy: 0.4161240204451573
Energy: 0.4381138629688276
Energy: 0.4161240204451573
Energy: 0.4381138629688276
Energy: 0.4161240204451573
Energy: 0.33916741788530536
Energy: 0.45634072039989526
Energy: 0.33916741788488003
Energy: 0.45634072039989526
Energy: 0.33916741788573057
Energy: 0.4563407204003205
Energy: 0.5499440504135933
Energy: 0.6237770817671048
Energy: 0.5499440504135933
Energy: 0.6237770817671048
Energy: 0.5499440504140185
Energy: 0.6237770817671048
Energy: 0.4256399188872961
Energy: 0.3532877689205972
Energy: 0.4256399188881466
Energy: 0.3532877689210224
Energy: 0.4256399188877213
Energy: 0.3532877689210224
Energy: 0.3349234602123157
Energy: 0.4361751494066286
Energy: 0.334923460212741
Energy: 0.4361751494062034
Energy: 0.334923460212741
Energy: 0.4361751494066286
Energy: 0.33402013483112686
Energy: 0.4999861847885679
Energy: 0.3340201348315521
Energy: 0.4999861847885679
Energy: 0.3340201348315521
Energy: 0.4999861847885679
Energy: 0.37789968959889225
Energy: 0.5139577980680787
Energy: 0.37789968959846704
Energy: 0.5139577980680787
Energy: 0.37789968959889225
Energy: 0.5139577980680787
Energy: 0.3540683638055355
Energy: 0.3534656851584075
Energy: 0.35406836380638607
Energy: 0.3534656851579822
Energy: 0.35406836380596085
Energy: 0.3534656851584075
Energy: 0.33915056717537445
Energy: 0.4184860119109754
Energy: 0.3391505671749492
Energy: 0.4184860119109754
Energy: 0.3391505671749492
Energy: 0.4184860119114006
Energy: 0.42252960313623183
Energy: 0.46112712508884524
Energy: 0.42252960313623183
Energy: 0.46112712508842
Energy: 0.4225296031358066
Energy: 0.46112712508842
Energy: 0.5488319165525956
Energy: 0.47751676764993384
Energy: 0.5488319165525956
Energy: 0.47751676764950857
Energy: 0.5488319165538713
Energy: 0.47751676764993384
Energy: 0.3411519531871472
Energy: 0.4157337035362489
Energy: 0.3411519531871472
Energy: 0.41573370353539835
Energy: 0.34115195318757247
Energy: 0.4157337035362489
Energy: 0.3543320216113745
Energy: 0.3553975492861217
Energy: 0.35433202161094923
Energy: 0.3553975492861217
Energy: 0.35433202161094923
Energy: 0.3553975492861217
Energy: 0.3340309551969341
Energy: 0.4231263376669875
Energy: 0.3340309551956583
Energy: 0.4231263376669875
Energy: 0.3340309551956583
Energy: 0.4231263376669875

minimum gb energy = 0.3337370595848671 eV
minimum distance =  2.66415030111307 Angstroms
sigma value = 33


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

Energy: 0.39084452172165474
Energy: 0.36196031359153946
Energy: 0.39084452172105777
Energy: 0.36196031359153946
Energy: 0.3908445217213563
Energy: 0.36196031359153946
Energy: 0.44754373942069514
Energy: 0.36625646150662244
Energy: 0.4475437394215906
Energy: 0.366256461506324
Energy: 0.4475437394218891
Energy: 0.36625646150662244
Energy: 0.4145795265017449
Energy: 0.6151098356899266
Energy: 0.41457952650383423
Energy: 0.6151098356914189
Energy: 0.41457952650443114
Energy: 0.6151098356914189
Energy: 0.4189899169702184
Energy: 0.36638968343469075
Energy: 0.4189899169690245
Energy: 0.36638968343469075
Energy: 0.4189899169690245
Energy: 0.36638968343469075
Energy: 0.36046598158893706
Energy: 0.49835767035656414
Energy: 0.3604659815877432
Energy: 0.49835767025929095
Energy: 0.3604659815883401
Energy: 0.498357670379519
Energy: 0.5271079319366033
Energy: 0.371562859843907
Energy: 0.5271079319363049
Energy: 0.371562859843907
Energy: 0.5271079319357079
Energy: 0.371562859843907
Energy: 0.40917074796221914
Energy: 0.46793394382618575
Energy: 0.4091707479631145
Energy: 0.4679339438246934
Energy: 0.4091707479625176
Energy: 0.46793394382349957
Energy: 0.4182033714623744
Energy: 0.4542699251156855
Energy: 0.4182033714617775
Energy: 0.4542699251150886
Energy: 0.41820337146267283
Energy: 0.45426992511538705
Energy: 0.432134630303649
Energy: 0.37234334086802323
Energy: 0.43213463030305205
Energy: 0.3723433408677247
Energy: 0.43213463030335053
Energy: 0.37234334086802323
Energy: 0.5505733090346431
Energy: 0.37691475253531725
Energy: 0.5505733090334491
Energy: 0.37691475253561574
Energy: 0.5505733090334491
Energy: 0.37691475253501877
Energy: 0.42251800935304956
Energy: 0.42384544038543315
Energy: 0.42251800935424344
Energy: 0.4238454403848363
Energy: 0.42251800935245265
Energy: 0.4238454403866271
Energy: 0.6019789449619474
Energy: 0.36623145273179614
Energy: 0.6019789449634396
Energy: 0.36623145273179614
Energy: 0.6019789449625442
Energy: 0.36623145273179614
Energy: 0.3706846919792783
Energy: 0.4926450927508372
Energy: 0.3706846919792783
Energy: 0.4926450927454648
Energy: 0.3706846919792783
Energy: 0.49264509274815094
Energy: 0.45215452202711054
Energy: 0.41948842492960414
Energy: 0.4521545220265135
Energy: 0.41948842492900723
Energy: 0.4521545220280059
Energy: 0.41948842492930566
Energy: 0.4529698081192111
Energy: 0.4063839241107247
Energy: 0.45296980811861415
Energy: 0.40638392411102314
Energy: 0.4529698081195096
Energy: 0.40638392410953084
Energy: 0.3701142939194612
Energy: 0.5270335403238522
Energy: 0.3701142939185659
Energy: 0.5270335403235538
Energy: 0.3701142939179689
Energy: 0.5270335403238522
Energy: 0.6011756973031716
Energy: 0.36116265804919623
Energy: 0.6011756973016792
Energy: 0.36116265804919623
Energy: 0.6011756973031716
Energy: 0.36116265804919623
Energy: 0.36030474766671505
Energy: 0.42085259048956125
Energy: 0.36030474766671505
Energy: 0.4208525904898597
Energy: 0.3603047476661182
Energy: 0.42085259048956125
Energy: 0.6082862963581807
Energy: 0.4144804747886767
Energy: 0.6082862963581807
Energy: 0.4144804747892737
Energy: 0.6082862963587775
Energy: 0.414480474790766
Energy: 0.4955033452986861
Energy: 0.37115006715676113
Energy: 0.4955033452980891
Energy: 0.3711500671570596
Energy: 0.4955033452983875
Energy: 0.37115006715735804
Energy: 0.3612065819875106
Energy: 0.39151433842718747
Energy: 0.3612065819878091
Energy: 0.39151433842688904
Energy: 0.3612065819875106
Energy: 0.39151433842718747
Energy: 0.3611001358400774
Energy: 0.4468841965660972
Energy: 0.36110013584067435
Energy: 0.4468841965655274
Energy: 0.36110013584067435
Energy: 0.4468841965652289
Energy: 0.58450704640301
Energy: 0.4988354136250934
Energy: 0.5845070464015176
Energy: 0.498835413624795
Energy: 0.5845070464024131
Energy: 0.4988354136259889
Energy: 0.36377937634710905
Energy: 0.41870185252893677
Energy: 0.36377937634770596
Energy: 0.4187018525280414
Energy: 0.3637793763480044
Energy: 0.41870185252863834
Energy: 0.36162920579712676
Energy: 0.3613294696046181
Energy: 0.36162920580040997
Energy: 0.3613294696040211
Energy: 0.3616292058007084
Energy: 0.36132946960431955
Energy: 0.37537169898616796
Energy: 0.5945658429508027
Energy: 0.37537169898557093
Energy: 0.5945658429502059
Energy: 0.3753716989852725
Energy: 0.5945658429502059
Energy: 0.4478567759852397
Energy: 0.40674078092434524
Energy: 0.4478567759846428
Energy: 0.40674078092553917
Energy: 0.44785677598553814
Energy: 0.4067407809249422
Energy: 0.39065164185007906
Energy: 0.3623071601025324
Energy: 0.39065164185037754
Energy: 0.3623071601022339
Energy: 0.39065164185007906
Energy: 0.3623071601022339
Energy: 0.37474113947721793
Energy: 0.4929463119940707
Energy: 0.37474113947751647
Energy: 0.49294631199466754
Energy: 0.37474113947751647
Energy: 0.4929463119943691
Energy: 0.37863430651942515
Energy: 0.552788972373098
Energy: 0.3786343065218128
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Energy: 0.37863430651942515
Energy: 0.5527889723733965
Energy: 0.42143256615977487
Energy: 0.36059805148563695
Energy: 0.4214325661600733
Energy: 0.36059805148563695
Energy: 0.4214325661606702
Energy: 0.3605980514850399
Energy: 0.3618283468190251
Energy: 0.6004965835065882
Energy: 0.36182834681842807
Energy: 0.6004965835065882
Energy: 0.36182834681812964
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Energy: 0.49593634856170477
Energy: 0.3703589839437024
Energy: 0.4959363485608093
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Energy: 0.4959363485611078
Energy: 0.3703589839437024
Energy: 0.41972317280399324
Energy: 0.45174271428531354
Energy: 0.41972317280339627
Energy: 0.451742714285015
Energy: 0.41972317280250093
Energy: 0.4517427142847165
Energy: 0.4196942461857939
Energy: 0.4515320607128109
Energy: 0.4196942461846
Energy: 0.45153206071251245
Energy: 0.41969424618609236
Energy: 0.4515320607128109
Energy: 0.4959352768922412
Energy: 0.37079342584375263
Energy: 0.4959352768922412
Energy: 0.3707934258434542
Energy: 0.49593527689253974
Energy: 0.3707934258440511
Energy: 0.36361773584620843
Energy: 0.6004606410131923
Energy: 0.3636177358468053
Energy: 0.6004606410128939
Energy: 0.36361773584770074
Energy: 0.6004606410131923
Energy: 0.4214219323965768
Energy: 0.36056454639284213
Energy: 0.4214219323977707
Energy: 0.36056454639254365
Energy: 0.42142193239717385
Energy: 0.36056454639284213
Energy: 0.3784721273989845
Energy: 0.5530373768873108
Energy: 0.37847212739838765
Energy: 0.5530373768870124
Energy: 0.3784721273995815
Energy: 0.553037376886714
Energy: 0.3748221900983538
Energy: 0.49294309833952776
Energy: 0.3748221900983538
Energy: 0.49294309833982625
Energy: 0.3748221900986523
Energy: 0.49294309833922934
Energy: 0.39055642330036305
Energy: 0.36221155589908083
Energy: 0.39055642330096
Energy: 0.36221155589848386
Energy: 0.39055642330096
Energy: 0.36221155589878234
Energy: 0.44797979578313524
Energy: 0.406816168980544
Energy: 0.4479797957828367
Energy: 0.4068161689802456
Energy: 0.44797979578313524
Energy: 0.4068161689802456
Energy: 0.37516880685130594
Energy: 0.594458490341644
Energy: 0.3751688068501121
Energy: 0.594458490341644
Energy: 0.3751688068498136
Energy: 0.5944584903413453
Energy: 0.3617031922250413
Energy: 0.36128375719866346
Energy: 0.3617031922071333
Energy: 0.36128375719866346
Energy: 0.3617031922065363
Energy: 0.36128375719866346
Energy: 0.3637524539027246
Energy: 0.4185922488283065
Energy: 0.363752453903023
Energy: 0.4185922488262172
Energy: 0.3637524539027246
Energy: 0.4185922488262172
Energy: 0.5845464735621312
Energy: 0.4986331341367899
Energy: 0.5845464735603404
Energy: 0.4986331341367899
Energy: 0.5845464735615342
Energy: 0.4986331341370884
Energy: 0.36117593657738956
Energy: 0.4468654199183379
Energy: 0.3611759365794788
Energy: 0.44686541991714396
Energy: 0.36117593657977726
Energy: 0.4468654199186363

minimum gb energy = 0.3603047476661182 eV
minimum distance =  2.64223972704889 Angstroms
sigma value = 67


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

Energy: 0.38665261449492583
Energy: 0.37798372896679616
Energy: 0.38665261449512983
Energy: 0.37798372896679616
Energy: 0.38665261449512983
Energy: 0.3779837289665921
Energy: 0.3786007439714981
Energy: 0.37793914100123277
Energy: 0.3786007439714981
Energy: 0.37793914100143683
Energy: 0.3786007439717021
Energy: 0.37793914100143683
Energy: 0.4371984394569644
Energy: 0.519689000490196
Energy: 0.43719843945755377
Energy: 0.519689000490196
Energy: 0.4371984394569644
Energy: 0.5196890004904
Energy: 0.37859877046282747
Energy: 0.3777416427030092
Energy: 0.37859877046303153
Energy: 0.37774164270319055
Energy: 0.37859877046282747
Energy: 0.3777416427030092
Energy: 0.38665261449551513
Energy: 0.37798372896579874
Energy: 0.3866526144961272
Energy: 0.3779837289660028
Energy: 0.3866526144957192
Energy: 0.37798372896579874
Energy: 0.3786007439720875
Energy: 0.37793914100243414
Energy: 0.3786007439720875
Energy: 0.37793914100243414
Energy: 0.3786007439720875
Energy: 0.37793914100243414
Energy: 0.3987529101733706
Energy: 0.519689000489992
Energy: 0.39875291017355197
Energy: 0.5196890004904
Energy: 0.39875291017454934
Energy: 0.5196890004889946

minimum gb energy = 0.3777416427030092 eV
minimum distance =  2.66508997982351 Angstroms
sigma value = 3


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

Energy: 0.5928438077934508
Energy: 0.4533061390693252
Energy: 0.5928438077983369
Energy: 0.4533061390690784
Energy: 0.5928438077912791
Energy: 0.4533061390698681
Energy: 0.4783707412441727
Energy: 0.45917996256440846
Energy: 0.4783707412463443
Energy: 0.45917996256440846
Energy: 0.4783707412460482
Energy: 0.45917996256411236
Energy: 0.4707589381634286
Energy: 0.5567255416884754
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Energy: 0.5567255416836386
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Energy: 0.45022900629780893
Energy: 0.4671507234209502
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Energy: 0.4671507234198644
Energy: 0.4502290062972659
Energy: 0.5168227456799831
Energy: 0.4903825857323315
Energy: 0.5168227456802792
Energy: 0.49038258573178867
Energy: 0.516822745680526
Energy: 0.49038258573178867
Energy: 0.4635809899806234
Energy: 0.5111011926131042
Energy: 0.46358098998146235
Energy: 0.5111011926114755
Energy: 0.46358098997766206
Energy: 0.5111011926139432
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Energy: 0.5223630288765913
Energy: 0.5194647994816047
Energy: 0.5223630288744197
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Energy: 0.5223630288755055
Energy: 0.5197316977476464
Energy: 0.4638229704767095
Energy: 0.5197316977471036
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Energy: 0.4558337968035843
Energy: 0.5019679363315085
Energy: 0.455833796805756
Energy: 0.5019679363317553
Energy: 0.4558337968024985
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Energy: 0.48278948882374345
Energy: 0.511109511384598
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Energy: 0.5181437966278569
Energy: 0.505596630275085
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Energy: 0.5181437966289428
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Energy: 0.4588875491841316
Energy: 0.47033727004569076
Energy: 0.4588875491841316
Energy: 0.470337270045987
Energy: 0.4588875491846746
Energy: 0.47033727004569076
Energy: 0.4578115613174861
Energy: 0.4925961655379308
Energy: 0.457811561318029
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Energy: 0.45781156131773293
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Energy: 0.4709618789613807
Energy: 0.5237807533808639
Energy: 0.4709618789616768
Energy: 0.5237807533832823
Energy: 0.47096187896059105
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Energy: 0.47551843241401986
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Energy: 0.47551843240291514
Energy: 0.5200889287650691
Energy: 0.475518432412934
Energy: 0.5000327313372838
Energy: 0.4695036374082389
Energy: 0.5000327313378268
Energy: 0.4695036374087818
Energy: 0.5000327313367409
Energy: 0.469503637408535
Energy: 0.4876502443808229
Energy: 0.5112595405804171
Energy: 0.4876502443800333
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Energy: 0.48765024437919424
Energy: 0.5112595405801209
Energy: 0.4480317987088261
Energy: 0.5143474077090993
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Energy: 0.5143474077180819
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Energy: 0.5143474077142816
Energy: 0.5101183033860204
Energy: 0.5082574548287073
Energy: 0.5101183033966317
Energy: 0.5082574548268319
Energy: 0.5101183033909064
Energy: 0.5082574548270786
Energy: 0.4587670334792969
Energy: 0.48537402793334233
Energy: 0.4587670334792969
Energy: 0.4853740279335891
Energy: 0.4587670334779644
Energy: 0.4853740279327995
Energy: 0.4690033947673817
Energy: 0.5809154685690053
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Energy: 0.5809154685690053
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Energy: 0.43818311393596077
Energy: 0.5460691343387366
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Energy: 0.5460691343384898
Energy: 0.43818311393457887
Energy: 0.5460691343387366
Energy: 0.529247046282586
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Energy: 0.529247046282586
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Energy: 0.5292470462820431
Energy: 0.44115103502101133
Energy: 0.46797006748471687
Energy: 0.4737244679658732
Energy: 0.46797006748254527
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Energy: 0.4679700674841739
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Energy: 0.47871116283029425
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Energy: 0.47871116282999804
Energy: 0.5809647084352458
Energy: 0.4787111628294552
Energy: 0.5809647084347029
Energy: 0.4653309737924635
Energy: 0.5081329972519396
Energy: 0.46533097379438837
Energy: 0.5081329972511006
Energy: 0.465330973795178
Energy: 0.5081329972516436
Energy: 0.5132109098252678
Energy: 0.4728443917528844
Energy: 0.5132109098236391
Energy: 0.4728443917528844
Energy: 0.5132109098217637
Energy: 0.47284439175313114
Energy: 0.46888738099579014
Energy: 0.47008580645979686
Energy: 0.468887380996876
Energy: 0.470085806460093
Energy: 0.468887380996876
Energy: 0.470085806460093
Energy: 0.489716465308601
Energy: 0.5112011823723697
Energy: 0.489716465308601
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Energy: 0.4897164653088971
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Energy: 0.5046067701384551
Energy: 0.4627627284231167
Energy: 0.5046067701324832
Energy: 0.46276272842336347
Energy: 0.5046067701254254
Energy: 0.46276272842365956
Energy: 0.5320257432885457
Energy: 0.4795103025150884
Energy: 0.5320257432955542
Energy: 0.47951030251533516
Energy: 0.5320257432855351
Energy: 0.4795103025167171
Energy: 0.4846723405178955
Energy: 0.4555024882510189
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Energy: 0.45550248825156175
Energy: 0.4846723405171058
Energy: 0.45550248825126566
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Energy: 0.4695739563803811
Energy: 0.47752167840522003
Energy: 0.4695739563798381
Energy: 0.47752167840684867
Energy: 0.46957395638013427
Energy: 0.4993472217682145
Energy: 0.4866868341958834
Energy: 0.49934722174541263
Energy: 0.4866868341964263
Energy: 0.49934722169793333
Energy: 0.4866868341961795
Energy: 0.5027324236677084
Energy: 0.4861529933011886
Energy: 0.5027324236666227
Energy: 0.4861529933011886
Energy: 0.5027324236671656
Energy: 0.4861529933011886
Energy: 0.47143347848020806
Energy: 0.5044209454777859
Energy: 0.4714334784791223
Energy: 0.5044209454753675
Energy: 0.4714334784791223
Energy: 0.5044209454750713
Energy: 0.4672138580259522
Energy: 0.4818917565890229
Energy: 0.4672138580234845
Energy: 0.48189175658877614
Energy: 0.4672138580248664
Energy: 0.48189175658769035
Energy: 0.5417783495607121
Energy: 0.4481657488327579
Energy: 0.5417783495520258
Energy: 0.4481657488335475
Energy: 0.5417783495531114
Energy: 0.44816574883330074
Energy: 0.454814919100888
Energy: 0.5232208343687849
Energy: 0.45481491910143085
Energy: 0.5232208343709565
Energy: 0.4548149191025167
Energy: 0.523220834369624
Energy: 0.49641612965616644
Energy: 0.5044207400091949
Energy: 0.4964161296542416
Energy: 0.5044207400189671
Energy: 0.49641612965562354
Energy: 0.5044207400151668
Energy: 0.4945758102435972
Energy: 0.5114450794247472
Energy: 0.4945758102435972
Energy: 0.5114450794247472
Energy: 0.4945758102438934
Energy: 0.5114450794242044
Energy: 0.569788036763371
Energy: 0.436810592404687
Energy: 0.569788036763371
Energy: 0.43681059240251535
Energy: 0.5697880367622852
Energy: 0.436810592404687
Energy: 0.4522267892557131
Energy: 0.5876965675626131
Energy: 0.45222678925438053
Energy: 0.5876965675593557
Energy: 0.4522267892549235
Energy: 0.5876965675620702
Energy: 0.4987759473280874
Energy: 0.4556563860059001
Energy: 0.49877594732784064
Energy: 0.4556563860059001
Energy: 0.4987759473283835
Energy: 0.4556563860059001
Energy: 0.5383561513640317
Energy: 0.47096539019120043
Energy: 0.538356151362403
Energy: 0.47096539019120043
Energy: 0.5383561513634887
Energy: 0.4709653901906574
Energy: 0.5398922153541308
Energy: 0.454426005780386
Energy: 0.5398922153335005
Energy: 0.45442600578147174
Energy: 0.5398922153554634
Energy: 0.45442600578147174
Energy: 0.4689858666511368
Energy: 0.4881765693779955
Energy: 0.46898586665222264
Energy: 0.4881765693771565
Energy: 0.46898586665167974
Energy: 0.4881765693776994
Energy: 0.46299843073982855
Energy: 0.45207889246511584
Energy: 0.4629984307390389
Energy: 0.4520788924648691
Energy: 0.4629984307403715
Energy: 0.452078892464573
Energy: 0.4968005939059107
Energy: 0.49135730595479665
Energy: 0.49680059390536774
Energy: 0.4913573059550928
Energy: 0.4968005939048249
Energy: 0.4913573059550928
Energy: 0.5076568456957216
Energy: 0.4906544576031684
Energy: 0.5076568455093087
Energy: 0.4906544576069687
Energy: 0.507656845550273
Energy: 0.4906544575733088
Energy: 0.47356709006671555
Energy: 0.5121208040383454
Energy: 0.47356709006780134
Energy: 0.512120804034545
Energy: 0.4735670900656297
Energy: 0.5121208040380986

minimum gb energy = 0.43681059240251535 eV
minimum distance =  2.5684912676552 Angstroms
sigma value = 81


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

Energy: 0.6147592774521232
Energy: 0.460112903445478
Energy: 0.614759277453986
Energy: 0.4601129034451054
Energy: 0.6147592774532409
Energy: 0.4601129034451054
Energy: 0.45705088080096434
Energy: 0.4375560915540108
Energy: 0.45705088080096434
Energy: 0.43755609155289316
Energy: 0.45705088080096434
Energy: 0.43755609155289316
Energy: 0.45296491626437185
Energy: 0.47679072594472605
Energy: 0.45296491626437185
Energy: 0.47679072594472605
Energy: 0.45296491626399926
Energy: 0.47679072594472605
Energy: 0.44032266355399247
Energy: 0.4391799266875076
Energy: 0.44032266355362
Energy: 0.43917992668713507
Energy: 0.4403226635532474
Energy: 0.43917992668713507
Energy: 0.46802878207241855
Energy: 0.45063050815687317
Energy: 0.4680287820731636
Energy: 0.45063050815836336
Energy: 0.468028782072046
Energy: 0.45063050815612804
Energy: 0.4424239628447382
Energy: 0.4708250000042623
Energy: 0.4424239628425028
Energy: 0.4708250000042623
Energy: 0.4424239628443657
Energy: 0.4708250000038897
Energy: 0.4887378973943633
Energy: 0.49053781300493643
Energy: 0.48873789739399076
Energy: 0.49053781300493643
Energy: 0.4887378973943633
Energy: 0.4905378130056815
Energy: 0.4723076839102811
Energy: 0.4570998604660636
Energy: 0.4723076839099085
Energy: 0.457099860465691
Energy: 0.47230768391065364
Energy: 0.4570998604660636
Energy: 0.5105071850706492
Energy: 0.47714793963674645
Energy: 0.5105071850702766
Energy: 0.47714793963674645
Energy: 0.5105071850706492
Energy: 0.47714793963637386
Energy: 0.4777584944713104
Energy: 0.5257906211375011
Energy: 0.47775849447205554
Energy: 0.5257906211389914
Energy: 0.47775849447205554
Energy: 0.5257906211393639
Energy: 0.44950495621894865
Energy: 0.5081566245673177
Energy: 0.4495049562193212
Energy: 0.5081566245669451
Energy: 0.44950495622192915
Energy: 0.5081566245673177
Energy: 0.4830944878040851
Energy: 0.4823114149547599
Energy: 0.4830944878040851
Energy: 0.4823114149547599
Energy: 0.4830944878040851
Energy: 0.4823114149547599
Energy: 0.4585820200412169
Energy: 0.4694849993134092
Energy: 0.4585820200423346
Energy: 0.4694849993134092
Energy: 0.4585820200427072
Energy: 0.4694849993134092
Energy: 0.4764951178010237
Energy: 0.4757010308080831
Energy: 0.4764951178010237
Energy: 0.4757010308084556
Energy: 0.4764951178010237
Energy: 0.4757010308084556
Energy: 0.5060274084602622
Energy: 0.4259848430669353
Energy: 0.5060274084602622
Energy: 0.4259848430669353
Energy: 0.506027408459517
Energy: 0.4259848430669353
Energy: 0.47223916274167854
Energy: 0.45179552047002525
Energy: 0.47223916273981575
Energy: 0.45179552047002525
Energy: 0.4722391627405609
Energy: 0.45179552047002525
Energy: 0.5121413163659938
Energy: 0.50230268236671
Energy: 0.5121413163659938
Energy: 0.5023026823674552
Energy: 0.5121413163656213
Energy: 0.5023026823655924
Energy: 0.506671438656741
Energy: 0.5222245102328436
Energy: 0.5066714386574862
Energy: 0.5222245102280003
Energy: 0.506671438656741
Energy: 0.5222245102313533
Energy: 0.47605230505085616
Energy: 0.455413049389218
Energy: 0.47605230504973844
Energy: 0.4554130493895906
Energy: 0.47605230505122864
Energy: 0.4554130493884729
Energy: 0.43904676626749073
Energy: 0.5045309158092738
Energy: 0.43904676626711814
Energy: 0.5045309158096464
Energy: 0.43904676626711814
Energy: 0.5045309158100189
Energy: 0.4381157530841405
Energy: 0.46956608158777907
Energy: 0.43811575308600337
Energy: 0.4695660815859164
Energy: 0.4381157530856309
Energy: 0.46956608158815166
Energy: 0.472540659323588
Energy: 0.4960260649781574
Energy: 0.4725406593232155
Energy: 0.49602606497778484
Energy: 0.4725406593239606
Energy: 0.49602606497778484
Energy: 0.5172029246615172
Energy: 0.5090703379394524
Energy: 0.517202924662635
Energy: 0.5090703379394524
Energy: 0.5172029246603995
Energy: 0.509070337939825
Energy: 0.4573313367658751
Energy: 0.4683806214496462
Energy: 0.4573313367614044
Energy: 0.4683806214496462
Energy: 0.45733133676662024
Energy: 0.4683806214496462
Energy: 0.4762502649092298
Energy: 0.47297683658728545
Energy: 0.4762502649110926
Energy: 0.47297683658728545
Energy: 0.47625026490997485
Energy: 0.47297683658654033
Energy: 0.5773073331271632
Energy: 0.5625546266351911
Energy: 0.5773073331286533
Energy: 0.5625546266348185
Energy: 0.5773073331271632
Energy: 0.5625546266351911
Energy: 0.5065977997199846
Energy: 0.4411487577944687
Energy: 0.506597799719612
Energy: 0.4411487577940961
Energy: 0.506597799719612
Energy: 0.4411487577940961
Energy: 0.4824938881403482
Energy: 0.4807107182051416
Energy: 0.48249388814109334
Energy: 0.4807107182081221
Energy: 0.4824938881399756
Energy: 0.48071071820961236
Energy: 0.4863829740231125
Energy: 0.45672527142473707
Energy: 0.48638297402162217
Energy: 0.4567252714251096
Energy: 0.4863829740227399
Energy: 0.4567252714251096
Energy: 0.47905715356702905
Energy: 0.42578308660443726
Energy: 0.47905715357112727
Energy: 0.42578308660443726
Energy: 0.47905715357000955
Energy: 0.42578308660369213
Energy: 0.4414044906566491
Energy: 0.5043147435800102
Energy: 0.4414044906562765
Energy: 0.5043147435811278
Energy: 0.4414044906559039
Energy: 0.5043147435841082
Energy: 0.45077414013702677
Energy: 0.4685060602783245
Energy: 0.45077414013777195
Energy: 0.4685060602783245
Energy: 0.45077414013739936
Energy: 0.46850606027869707
Energy: 0.4838980859598051
Energy: 0.5074746431050432
Energy: 0.4838980859586874
Energy: 0.5074746431046707
Energy: 0.4838980859586874
Energy: 0.5074746431050432
Energy: 0.48311176113578175
Energy: 0.5046980282831
Energy: 0.4831117611339189
Energy: 0.5046980282831
Energy: 0.48311176113317383
Energy: 0.5046980282831
Energy: 0.4490505066280463
Energy: 0.4710009244688646
Energy: 0.4490505066291639
Energy: 0.47100092446439384
Energy: 0.4490505066280463
Energy: 0.4710009244662567
Energy: 0.47601105285580314
Energy: 0.4393530163596605
Energy: 0.47601105285803846
Energy: 0.43935301636040563
Energy: 0.47601105286101897
Energy: 0.4393530163596605
Energy: 0.4855207947323089
Energy: 0.44002797281711287
Energy: 0.4855207947311913
Energy: 0.44002797281823053
Energy: 0.4855207947319364
Energy: 0.4400279728159952
Energy: 0.4953443832884147
Energy: 0.4659412870135481
Energy: 0.4953443832902776
Energy: 0.46594128701392057
Energy: 0.4953443832891598
Energy: 0.46594128701392057

minimum gb energy = 0.42578308660369213 eV
minimum distance =  2.63435448331565 Angstroms
sigma value = 43


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

Energy: 0.517174545672891
Energy: 0.4425301881395564
Energy: 0.5171745456733486
Energy: 0.4425301881395564
Energy: 0.5171745456719757
Energy: 0.4425301881395564
Energy: 0.4638718981998396
Energy: 0.4213086703223744
Energy: 0.4638718981998396
Energy: 0.4213086703223744
Energy: 0.46387189819938196
Energy: 0.42130867032100155
Energy: 0.5021096786849693
Energy: 0.5143131150834984
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Energy: 0.5143131150834984
Energy: 0.502109678685427
Energy: 0.5143131150834984
Energy: 0.45012923857125364
Energy: 0.4320775872371057
Energy: 0.45012923857079595
Energy: 0.43207758723756334
Energy: 0.45012923857079595
Energy: 0.4320775872371057
Energy: 0.45820524457577144
Energy: 0.44686975869692974
Energy: 0.45820524457577144
Energy: 0.4468697586964721
Energy: 0.45820524457577144
Energy: 0.4468697586964721
Energy: 0.4621292714497474
Energy: 0.457489967999649
Energy: 0.4621292714497474
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Energy: 0.4621292714497474
Energy: 0.45748996799919134
Energy: 0.45287225021695293
Energy: 0.5043278761308269
Energy: 0.4528722502174106
Energy: 0.5043278761312845
Energy: 0.45287225021786826
Energy: 0.5043278761308269
Energy: 0.49019579379661055
Energy: 0.4669078102183306
Energy: 0.49019579379661055
Energy: 0.4669078102183306
Energy: 0.4901957937961529
Energy: 0.466907810217873
Energy: 0.4844852944264186
Energy: 0.45653673723284605
Energy: 0.48448529442687616
Energy: 0.45653673723284605
Energy: 0.4844852944264186
Energy: 0.45653673723284605
Energy: 0.43816022927749476
Energy: 0.5136552611639873
Energy: 0.4381602292779524
Energy: 0.5136552611639873
Energy: 0.43816022927841
Energy: 0.5136552611639873
Energy: 0.5072102044693159
Energy: 0.4558048948371345
Energy: 0.5072102044675062
Energy: 0.4558048948339311
Energy: 0.5072102044693159
Energy: 0.4558048948380497
Energy: 0.49016789547001893
Energy: 0.4636337000753691
Energy: 0.49016789547001893
Energy: 0.4636337000753691
Energy: 0.49016789547001893
Energy: 0.4636337000753691
Energy: 0.4699256060896958
Energy: 0.4572493482802285
Energy: 0.4699256060887806
Energy: 0.45724934827977093
Energy: 0.46992560609061107
Energy: 0.4572493482802285
Energy: 0.41831720570563624
Energy: 0.5175934038056265
Energy: 0.41831720570517866
Energy: 0.5175934038175248
Energy: 0.41831720570334807
Energy: 0.5175934038065417
Energy: 0.44889544330213876
Energy: 0.4464371194719813
Energy: 0.44889544330259634
Energy: 0.4464371194728965
Energy: 0.44889544330170184
Energy: 0.4464371194724389
Energy: 0.4879098818390871
Energy: 0.47006985525421513
Energy: 0.4879098818386295
Energy: 0.47006985525421513
Energy: 0.4879098818390871
Energy: 0.47006985525421513
Energy: 0.46777956761774797
Energy: 0.48282178611218807
Energy: 0.46777956761774797
Energy: 0.48282178611218807
Energy: 0.46777956761774797
Energy: 0.48282178611218807
Energy: 0.5182030821010901
Energy: 0.44038657435316353
Energy: 0.5182030821010901
Energy: 0.4403865743527059
Energy: 0.5182030821006325
Energy: 0.4403865743527059
Energy: 0.4961755493447889
Energy: 0.44740663015685533
Energy: 0.49617554934524655
Energy: 0.44740663015685533
Energy: 0.49617554934616187
Energy: 0.44740663015639764
Energy: 0.46772033702637156
Energy: 0.467362761859287
Energy: 0.4677203370272868
Energy: 0.4673627618597446
Energy: 0.46772033702682925
Energy: 0.467362761859287
Energy: 0.434375469783791
Energy: 0.48404328130965557
Energy: 0.434375469783791
Energy: 0.48404328130965557
Energy: 0.4343754697828757
Energy: 0.48404328130919794
Energy: 0.49820962952494974
Energy: 0.47545976724140454
Energy: 0.4982096295254073
Energy: 0.47545976724140454
Energy: 0.498209629525865
Energy: 0.47545976724140454
Energy: 0.4183270046708621
Energy: 0.44257237410086864
Energy: 0.4183270046713197
Energy: 0.4425723741017839
Energy: 0.41832700467040446
Energy: 0.4425723741013262
Energy: 0.4695348263249727
Energy: 0.5256935753635692
Energy: 0.4695348263245151
Energy: 0.5256935753635692
Energy: 0.4695348263245151
Energy: 0.5256935753635692
Energy: 0.43095198665515405
Energy: 0.4559065180849403
Energy: 0.43095198665515405
Energy: 0.4559065180849403
Energy: 0.4309519866556117
Energy: 0.45590651808448274
Energy: 0.4971312593921365
Energy: 0.49832688861853736
Energy: 0.49713125939167885
Energy: 0.49832688861853736
Energy: 0.4971312593921365
Energy: 0.49832688861853736
Energy: 0.4527644123593185
Energy: 0.48759116831662236
Energy: 0.45276441235977616
Energy: 0.4875911683161647
Energy: 0.4527644123593185
Energy: 0.4875911683161647
Energy: 0.4828345951945128
Energy: 0.4573649948416802
Energy: 0.4828345951940552
Energy: 0.45736499483984966
Energy: 0.48283459519497046
Energy: 0.4573649948421379
Energy: 0.4311162724851598
Energy: 0.46603995229028145
Energy: 0.4311162724851598
Energy: 0.46603995229028145
Energy: 0.4311162724856174
Energy: 0.46603995229028145
Energy: 0.4605586823674937
Energy: 0.45189282372501693
Energy: 0.4605586823647479
Energy: 0.45189282372135586
Energy: 0.46055868236520564
Energy: 0.45189282372135586
Energy: 0.466132994945104
Energy: 0.4573412045023472
Energy: 0.4661329949455617
Energy: 0.4573412045023472
Energy: 0.4661329949455617
Energy: 0.4573412045023472

minimum gb energy = 0.41831720570334807 eV
minimum distance =  2.69573031854963 Angstroms
sigma value = 57


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

Energy: 0.45546524227493274
Energy: 0.40648945454206514
Energy: 0.4554652422761178
Energy: 0.40648945454206514
Energy: 0.45546524227552526
Energy: 0.40648945454206514
Energy: 0.4300177284118054
Energy: 0.38116861359083254
Energy: 0.4300177284118054
Energy: 0.38116861359024
Energy: 0.4300177284118054
Energy: 0.3811686135896475
Energy: 0.48223171985885727
Energy: 0.48423556167782733
Energy: 0.48223171985826463
Energy: 0.4842355616784198
Energy: 0.4822317198594498
Energy: 0.4842355616784198
Energy: 0.4114811921959966
Energy: 0.4316933806493473
Energy: 0.4114811921859236
Energy: 0.4316933806493473
Energy: 0.41148119215985235
Energy: 0.4316933806493473
Energy: 0.4959852378006043
Energy: 0.4650038807647617
Energy: 0.4959852378011968
Energy: 0.4650038807617991
Energy: 0.4959852378017894
Energy: 0.46500388075942894
Energy: 0.48213762249324577
Energy: 0.4499281659714966
Energy: 0.48213762249324577
Energy: 0.4499281659714966
Energy: 0.48213762249324577
Energy: 0.4499281659714966
Energy: 0.45737904104629507
Energy: 0.5243062374141401
Energy: 0.45737904104510996
Energy: 0.5243062374141401
Energy: 0.45737904104629507
Energy: 0.5243062374141401
Energy: 0.4585395301810823
Energy: 0.4099541000864214
Energy: 0.4585395301804897
Energy: 0.4099541000864214
Energy: 0.4585395301804897
Energy: 0.4099541000864214
Energy: 0.45537255133989485
Energy: 0.4277852174859418
Energy: 0.45537255133870974
Energy: 0.4277852174859418
Energy: 0.4553725513410799
Energy: 0.4277852174865343
Energy: 0.3945109118391322
Energy: 0.4323132337120896
Energy: 0.3945109118391322
Energy: 0.43231323371386715
Energy: 0.39451091183972475
Energy: 0.43231323370971947
Energy: 0.4579898075699996
Energy: 0.43281294649854063
Energy: 0.45798980756940716
Energy: 0.43281294649854063
Energy: 0.4579898075699996
Energy: 0.43281294649854063
Energy: 0.49915093296826346
Energy: 0.46352829218097974
Energy: 0.4991509329670784
Energy: 0.46352829218097974
Energy: 0.499150932967671
Energy: 0.46352829218157227
Energy: 0.44453953983214217
Energy: 0.4277339788561879
Energy: 0.44453953983273475
Energy: 0.42773397885559533
Energy: 0.44453953983214217
Energy: 0.4277339788550028
Energy: 0.513360825068764
Energy: 0.3857797926878276
Energy: 0.5133608250699491
Energy: 0.3857797926878276
Energy: 0.5133608250693564
Energy: 0.3857797926878276
Energy: 0.4528695988999902
Energy: 0.4069605019777247
Energy: 0.4528695989005827
Energy: 0.4069605019777247
Energy: 0.4528695988999902
Energy: 0.4069605019777247
Energy: 0.4558494642604214
Energy: 0.42671265297824695
Energy: 0.45584946426101397
Energy: 0.42671265297765437
Energy: 0.4558494642616065
Energy: 0.42671265297765437
Energy: 0.391658019437667
Energy: 0.4305703355728866
Energy: 0.3916580194382595
Energy: 0.43057033557229407
Energy: 0.3916580194382595
Energy: 0.43057033557229407
Energy: 0.455917369807038
Energy: 0.39169601591497905
Energy: 0.455917369807038
Energy: 0.39169601591497905
Energy: 0.4559173698064454
Energy: 0.39169601591497905
Energy: 0.39161556906208767
Energy: 0.43074668243526093
Energy: 0.3916155690632727
Energy: 0.43074668243526093
Energy: 0.39161556906208767
Energy: 0.43074668243585346
Energy: 0.4558235014884345
Energy: 0.42666303088520996
Energy: 0.45582350148961953
Energy: 0.42666303088461743
Energy: 0.4558235014902121
Energy: 0.42666303088461743
Energy: 0.4528763496223224
Energy: 0.40685619370898296
Energy: 0.4528763496217299
Energy: 0.40685619370898296
Energy: 0.452876349622915
Energy: 0.4068561937083904
Energy: 0.5131805102789606
Energy: 0.51306673482381
Energy: 0.5131805102789606
Energy: 0.5130667348232176
Energy: 0.5131805102789606
Energy: 0.51306673482381
Energy: 0.44452425167140663
Energy: 0.42767036371164663
Energy: 0.4445242516708141
Energy: 0.42767036371105405
Energy: 0.4445242516708141
Energy: 0.42767036371105405
Energy: 0.4988547413896623
Energy: 0.4635005457129346
Energy: 0.4988547413896623
Energy: 0.4635005457117494
Energy: 0.49885474138906977
Energy: 0.463500545712342

minimum gb energy = 0.3811686135896475 eV
minimum distance =  2.66728256135742 Angstroms
sigma value = 17


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

Energy: 0.4502545044999379
Energy: 0.3929380330916776
Energy: 0.4502545044999379
Energy: 0.3929380330916776
Energy: 0.4502545044999379
Energy: 0.3929380330916776
Energy: 0.40069867191964853
Energy: 0.45952404722988444
Energy: 0.40069867191881064
Energy: 0.45952404722904644
Energy: 0.40069867191964853
Energy: 0.45952404722904644
Energy: 0.46271807042753843
Energy: 0.4322763770725608
Energy: 0.46271807042753843
Energy: 0.4322763770725608
Energy: 0.46271807042753843
Energy: 0.4322763770725608
Energy: 0.41420994964235597
Energy: 0.521969115554908
Energy: 0.41420994964235597
Energy: 0.521969115554908
Energy: 0.41420994964235597
Energy: 0.521969115554908
Energy: 0.44695905995812146
Energy: 0.4047003465793167
Energy: 0.44695905995812146
Energy: 0.4047003465793167
Energy: 0.44695905995812146
Energy: 0.4047003465793167
Energy: 0.48127399348780764
Energy: 0.43368127310803034
Energy: 0.48127399348780764
Energy: 0.43368127310803034
Energy: 0.48127399348780764
Energy: 0.43368127310803034
Energy: 0.4400006719801393
Energy: 0.3858935734263758
Energy: 0.4400006719826532
Energy: 0.38589357342553793
Energy: 0.440000671986843
Energy: 0.3858935734263758
Energy: 0.41458092135966224
Energy: 0.45032766106848665
Energy: 0.41458092135966224
Energy: 0.45032766106764865
Energy: 0.41458092135966224
Energy: 0.45032766106764865
Energy: 0.4158301841247733
Energy: 0.45932121424272904
Energy: 0.4158301841247733
Energy: 0.45932121424272904
Energy: 0.4158301841239354
Energy: 0.45932121424272904
Energy: 0.4779484062078812
Energy: 0.46492672439015004
Energy: 0.4779484062078812
Energy: 0.46492672439015004
Energy: 0.4779484062078812
Energy: 0.46492672439015004
Energy: 0.3968923303590861
Energy: 0.41274064146459344
Energy: 0.39689233035992405
Energy: 0.4127406414637555
Energy: 0.39689233035992405
Energy: 0.41274064146459344
Energy: 0.4308308319248404
Energy: 0.42677233729508635
Energy: 0.43083083192567834
Energy: 0.42677233729424835
Energy: 0.43083083192567834
Energy: 0.42677233729424835
Energy: 0.4453582179334349
Energy: 0.4343970369233453
Energy: 0.4453582179342728
Energy: 0.4343970369233453
Energy: 0.4453582179334349
Energy: 0.4343970369233453
Energy: 0.4025220088280096
Energy: 0.4216895504261483
Energy: 0.40252200882884753
Energy: 0.4216895504261483
Energy: 0.4025220088280096
Energy: 0.4216895504261483
Energy: 0.39488895064092416
Energy: 0.44553250031518227
Energy: 0.39488895064176216
Energy: 0.4455325003160202
Energy: 0.39488895064092416
Energy: 0.44553250031350633
Energy: 0.4813181308449748
Energy: 0.5721262035569213
Energy: 0.4813181308449748
Energy: 0.5721262035569213
Energy: 0.4813181308449748
Energy: 0.5721262035569213
Energy: 0.40136413622895556
Energy: 0.4210196993309053
Energy: 0.40136413622895556
Energy: 0.4210196993309053
Energy: 0.40136413622895556
Energy: 0.4210196993309053

minimum gb energy = 0.38589357342553793 eV
minimum distance =  2.67082812481382 Angstroms
sigma value = 17


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

Energy: 0.4170700168393512
Energy: 0.37668573783991843
Energy: 0.4170700168399983
Energy: 0.37668573783991843
Energy: 0.41707001683967476
Energy: 0.37668573783991843
Energy: 0.39257732388478594
Energy: 0.42126450640978225
Energy: 0.3925773238857567
Energy: 0.42126450640978225
Energy: 0.3925773238860803
Energy: 0.42126450640945867
Energy: 0.416354856940425
Energy: 0.4273530646038572
Energy: 0.416354856940425
Energy: 0.4273530646038572
Energy: 0.41635485693945423
Energy: 0.4273530646041808
Energy: 0.3942224986722827
Energy: 0.40058134562869635
Energy: 0.3942224986726062
Energy: 0.4005813456280492
Energy: 0.3942224986726062
Energy: 0.4005813456283728
Energy: 0.38460452065229345
Energy: 0.4220470784718685
Energy: 0.38460452034597026
Energy: 0.4220470784715449
Energy: 0.38460452045887417
Energy: 0.4220470784715449
Energy: 0.38819436596536067
Energy: 0.3766952393502189
Energy: 0.38819436596503704
Energy: 0.3766952393502189
Energy: 0.38819436596568424
Energy: 0.3766952393502189
Energy: 0.3796591860632153
Energy: 0.4346945959360923
Energy: 0.3796591860628917
Energy: 0.4346945959354451
Energy: 0.3796591860645096
Energy: 0.4346945959364159
Energy: 0.41897474740182394
Energy: 0.44088097987411173
Energy: 0.4189747474015003
Energy: 0.44088097987443536
Energy: 0.4189747474008531
Energy: 0.4408809798737881
Energy: 0.46607652645572045
Energy: 0.3930601599682301
Energy: 0.466076526456044
Energy: 0.39306015996790655
Energy: 0.4660765264553968
Energy: 0.3930601599682301
Energy: 0.38018769405764574
Energy: 0.40296007899452657
Energy: 0.38018769405602776
Energy: 0.40296007899452657
Energy: 0.3801876940573221
Energy: 0.40296007899485015
Energy: 0.40745972804722314
Energy: 0.426819891202408
Energy: 0.40745972804787034
Energy: 0.4268198911998192
Energy: 0.40745972804754677
Energy: 0.4268198912014372
Energy: 0.415737858746285
Energy: 0.4239272319599941
Energy: 0.4157378587466086
Energy: 0.4239272319593469
Energy: 0.41573785874725566
Energy: 0.4239272319596705
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Energy: 0.436842411725836
Energy: 0.44019518560161913
Energy: 0.436842411725836
Energy: 0.4401951856006778
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Energy: 0.4376144086717856
Energy: 0.37738132811272446
Energy: 0.43761440867405077
Energy: 0.37738132811207725
Energy: 0.4376144086724328
Energy: 0.37738132811369524
Energy: 0.41268883369726417
Energy: 0.408555958751142
Energy: 0.4126888336969406
Energy: 0.40855595874920037
Energy: 0.4126888336969406
Energy: 0.4085559587498476
Energy: 0.4121698299323004
Energy: 0.3917721999075776
Energy: 0.41216982993197676
Energy: 0.3917721999082248
Energy: 0.41216982993197676
Energy: 0.3917721999079012
Energy: 0.37645855952007595
Energy: 0.384948571291143
Energy: 0.37645855952007595
Energy: 0.38494857129146665
Energy: 0.3764585595194287
Energy: 0.384948571291143
Energy: 0.4493803989112821
Energy: 0.4087159781157506
Energy: 0.4493803989116056
Energy: 0.408715978115427
Energy: 0.4493803989116056
Energy: 0.40871597811477983
Energy: 0.43581653792326364
Energy: 0.39062709443347493
Energy: 0.43581653792358727
Energy: 0.3906270944354165
Energy: 0.43581653792294
Energy: 0.3906270944376816
Energy: 0.3760362857636724
Energy: 0.375512465754571
Energy: 0.376036285763996
Energy: 0.375512465754571
Energy: 0.3760362857646432
Energy: 0.37551246575424746
Energy: 0.43584586703849176
Energy: 0.39116130799817017
Energy: 0.43584586703881534
Energy: 0.39116130799428706
Energy: 0.4358458670394625
Energy: 0.39116130799234544
Energy: 0.4495367375720597
Energy: 0.4082759100871459
Energy: 0.449536737574972
Energy: 0.4082759100868223
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Energy: 0.3765082647260564
Energy: 0.38490438267664495
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Energy: 0.3765082647244679
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Energy: 0.4122069931967907
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Energy: 0.4125945258949907
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Energy: 0.4125945258949907
Energy: 0.40829071899228675
Energy: 0.43726788813160294
Energy: 0.3777642850781129
Energy: 0.4372678881309557
Energy: 0.3777642850784365
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Energy: 0.3801298558355545
Energy: 0.40876641152236387
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Energy: 0.419201703883111
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Energy: 0.3629322464276219
Energy: 0.388288090381176
Energy: 0.36293224642826905
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Energy: 0.3841711876255038
Energy: 0.42219676427418895
Energy: 0.38417118761417807
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Energy: 0.42740397386201756
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Energy: 0.42740397386298834
Energy: 0.4164187470477169
Energy: 0.42740397386201756
Energy: 0.3927024256243075
Energy: 0.42169060094113897
Energy: 0.3927024256220424
Energy: 0.42169060094113897
Energy: 0.3927024256243075
Energy: 0.42169060094146255
Energy: 0.4170700168419399
Energy: 0.3766857378395948
Energy: 0.41707001684161626
Energy: 0.3766857378408892
Energy: 0.4170700168419399
Energy: 0.3766857378395948
Energy: 0.39257732388155003
Energy: 0.3626335890674787
Energy: 0.39257732388252076
Energy: 0.36263358906780235
Energy: 0.3925773238821971
Energy: 0.36263358906780235
Energy: 0.416354856938807
Energy: 0.42735306460223926
Energy: 0.41635485693977786
Energy: 0.42735306460223926
Energy: 0.416354856938807
Energy: 0.42735306460191574
Energy: 0.39422249867163545
Energy: 0.4005813456270785
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Energy: 0.4005813456270785
Energy: 0.3942224986719591
Energy: 0.4005813456270785
Energy: 0.38460452134801454
Energy: 0.422047078472192
Energy: 0.38460452100774367
Energy: 0.4220470784712213
Energy: 0.3846045211934262
Energy: 0.42204707847251566

minimum gb energy = 0.3626335890674787 eV
minimum distance =  2.64683067024342 Angstroms
sigma value = 57


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

Energy: 0.39331846980837837
Energy: 0.3562366897653675
Energy: 0.39331846980995905
Energy: 0.35623668976484063
Energy: 0.39331846980995905
Energy: 0.3562366897653675
Energy: 0.36689493918806526
Energy: 0.39563385377898913
Energy: 0.3668949391849039
Energy: 0.39563385377951604
Energy: 0.3668949391891191
Energy: 0.39563385377951604
Energy: 0.4189346401611977
Energy: 0.40409548113058175
Energy: 0.4189346401606707
Energy: 0.40409548113058175
Energy: 0.41893464016014387
Energy: 0.40409548113005483
Energy: 0.3768140140984624
Energy: 0.38862877653402905
Energy: 0.37681401409951615
Energy: 0.38862877653402905
Energy: 0.3768140140989893
Energy: 0.38862877653402905
Energy: 0.3555286938145091
Energy: 0.378905873974558
Energy: 0.35552869382188546
Energy: 0.3789058739750848
Energy: 0.3555286938171435
Energy: 0.378905873974558
Energy: 0.3773868957183206
Energy: 0.3473734459996947
Energy: 0.37738689571779377
Energy: 0.3473734460007485
Energy: 0.37738689571726686
Energy: 0.3473734459996947
Energy: 0.334347849686745
Energy: 0.41406423280117993
Energy: 0.3343478496846375
Energy: 0.4140642328006531
Energy: 0.3343478496862181
Energy: 0.41406423280117993
Energy: 0.4010372784651446
Energy: 0.4064418230641289
Energy: 0.4010372784704134
Energy: 0.40644182306254834
Energy: 0.4010372784824838
Energy: 0.4064418230636021
Energy: 0.39702522320970124
Energy: 0.34845712917916216
Energy: 0.3970252232102281
Energy: 0.3484571291796891
Energy: 0.39702522320970124
Energy: 0.34845712917916216
Energy: 0.3581045183083515
Energy: 0.4017553767310574
Energy: 0.3581045183062439
Energy: 0.40175537673053047
Energy: 0.3581045183104589
Energy: 0.4017553767310574
Energy: 0.336648651626514
Energy: 0.420682375598541
Energy: 0.33664865162756774
Energy: 0.420682375598541
Energy: 0.3366486516259871
Energy: 0.4206823755995947
Energy: 0.3647071910656547
Energy: 0.382437313082612
Energy: 0.3647071910661815
Energy: 0.3824373130820851
Energy: 0.3647071910661815
Energy: 0.3824373130831389
Energy: 0.3568715921732456
Energy: 0.4021379948471541
Energy: 0.3568715921679767
Energy: 0.4021379948471541
Energy: 0.3568715921679767
Energy: 0.4021379948471541
Energy: 0.38428504751334885
Energy: 0.367147387616905
Energy: 0.38428504751334885
Energy: 0.3671473876316577
Energy: 0.38428504751282194
Energy: 0.3671473876190125
Energy: 0.3988637793431349
Energy: 0.4157106747528836
Energy: 0.3988637793431349
Energy: 0.41571067475341056
Energy: 0.39886377934208106
Energy: 0.4157106747528836
Energy: 0.4031420729541652
Energy: 0.42032213880598307
Energy: 0.40314207295521903
Energy: 0.42032213880598307
Energy: 0.40314207295363835
Energy: 0.4203221388054562
Energy: 0.41000716707424484
Energy: 0.4143948348788829
Energy: 0.4100071670768793
Energy: 0.4143948348778291
Energy: 0.4100071670747717
Energy: 0.41439483487835593
Energy: 0.39201831391767983
Energy: 0.3888819838629828
Energy: 0.3920183139182068
Energy: 0.388881983862456
Energy: 0.3920183139182068
Energy: 0.38888198386192907
Energy: 0.38963529335097963
Energy: 0.38226355534269224
Energy: 0.3896352933499258
Energy: 0.3822635552836813
Energy: 0.3896352933520334
Energy: 0.3822635553374234
Energy: 0.39043675913967074
Energy: 0.3822193707502736
Energy: 0.3904367591407245
Energy: 0.3822193707502736
Energy: 0.3904367591412515
Energy: 0.3822193707502736
Energy: 0.4199247348137685
Energy: 0.3842338651777264
Energy: 0.4199247348137685
Energy: 0.3842338651777264
Energy: 0.4199247348142953
Energy: 0.38423386517878017
Energy: 0.38162015289446033
Energy: 0.3805238783039053
Energy: 0.38162015289340645
Energy: 0.38052387836818513
Energy: 0.38162015289446033
Energy: 0.38052387836028195
Energy: 0.35926477018256947
Energy: 0.36199914851335013
Energy: 0.3592647701799351
Energy: 0.36199914851335013
Energy: 0.3592647701804619
Energy: 0.361999148513877
Energy: 0.41414650987102514
Energy: 0.4901963017698881
Energy: 0.4141465098715521
Energy: 0.4901963017693612
Energy: 0.4141465098704983
Energy: 0.4901963017693612
Energy: 0.40808282317388733
Energy: 0.4706478207173704
Energy: 0.4080828231723067
Energy: 0.4706478207173704
Energy: 0.4080828231733605
Energy: 0.4706478207173704
Energy: 0.35514124847020695
Energy: 0.3622431919421496
Energy: 0.35514124846968
Energy: 0.3622431919416227
Energy: 0.35514124847020695
Energy: 0.3622431919416227
Energy: 0.38761741681412665
Energy: 0.38213944848248715
Energy: 0.3876174168135997
Energy: 0.38213944848564846
Energy: 0.38761741681412665
Energy: 0.3821394484814334

minimum gb energy = 0.3343478496846375 eV
minimum distance =  2.64829072899698 Angstroms
sigma value = 43


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

Energy: 0.39653896391029514
Energy: 0.3343874043098177
Energy: 0.39653896391029514
Energy: 0.3343874043098177
Energy: 0.3965389639110629
Energy: 0.3343874043098177
Energy: 0.36868982880740414
Energy: 0.3722352722154385
Energy: 0.36868982880817197
Energy: 0.3722352722154385
Energy: 0.36868982880817197
Energy: 0.3722352722158223
Energy: 0.378323341531148
Energy: 0.37158361626742153
Energy: 0.37832334153191577
Energy: 0.37158361626742153
Energy: 0.378323341531148
Energy: 0.37158361626742153
Energy: 0.37937190960001127
Energy: 0.34725318305793845
Energy: 0.37937190959962747
Energy: 0.34725318305793845
Energy: 0.3793719096015469
Energy: 0.34725318305793845
Energy: 0.36512983861414744
Energy: 0.3528861263464157
Energy: 0.3651298386164509
Energy: 0.3528861263464157
Energy: 0.3651298386191381
Energy: 0.3528861263464157
Energy: 0.3421544096128049
Energy: 0.32139824891692537
Energy: 0.3421544096131888
Energy: 0.3213982489150059
Energy: 0.3421544096131888
Energy: 0.3213982489165415
Energy: 0.38638273128272943
Energy: 0.367461614693899
Energy: 0.3863827312823455
Energy: 0.3674616146946667
Energy: 0.38638273128272943
Energy: 0.367461614693899
Energy: 0.44637656943868387
Energy: 0.35278879105951316
Energy: 0.4463765694394517
Energy: 0.35278879106028094
Energy: 0.44637656943868387
Energy: 0.35278879105951316
Energy: 0.3263734827670503
Energy: 0.32016966882526726
Energy: 0.3263734827666664
Energy: 0.32016966882526726
Energy: 0.32637348276628253
Energy: 0.32016966882488346
Energy: 0.32805832407736035
Energy: 0.3507633339825623
Energy: 0.32805832406853097
Energy: 0.3507633339825623
Energy: 0.328058324068147
Energy: 0.3507633339829462
Energy: 0.40651334091835317
Energy: 0.38659770326479054
Energy: 0.4065133409191209
Energy: 0.38659770326479054
Energy: 0.406513340918737
Energy: 0.3865977032644067
Energy: 0.3442185576652166
Energy: 0.3214631222676452
Energy: 0.3442185576652166
Energy: 0.32146312226687734
Energy: 0.34421855766560044
Energy: 0.321463122268029
Energy: 0.3279949441382536
Energy: 0.3437420064995137
Energy: 0.3279949441363342
Energy: 0.3437420064995137
Energy: 0.3279949441394052
Energy: 0.3437420064995137
Energy: 0.40959897447127963
Energy: 0.388743916370971
Energy: 0.40959897447051186
Energy: 0.388743916370971
Energy: 0.40959897447127963
Energy: 0.388743916370971
Energy: 0.3507926183237047
Energy: 0.31945053729550726
Energy: 0.3507926183237047
Energy: 0.31945053729435563
Energy: 0.3507926183237047
Energy: 0.3194505372951234
Energy: 0.3321948672226023
Energy: 0.3387851737262037
Energy: 0.3321948672237539
Energy: 0.3387851737262037
Energy: 0.3321948672237539
Energy: 0.3387851737262037
Energy: 0.3618141785400728
Energy: 0.38827407999220603
Energy: 0.3618141785366178
Energy: 0.38827407999374164
Energy: 0.3618141785377694
Energy: 0.38827407999604496
Energy: 0.33232801862369526
Energy: 0.3523582257307985
Energy: 0.3323280186263825
Energy: 0.35235822573233405
Energy: 0.332328018624847
Energy: 0.35235822573118236
Energy: 0.32260247090439553
Energy: 0.3643738877764314
Energy: 0.3226024709040117
Energy: 0.3643738877764314
Energy: 0.3226024709032439
Energy: 0.3643738877764314
Energy: 0.3663631137888771
Energy: 0.32603443585363195
Energy: 0.36636311378926095
Energy: 0.3260344358543997
Energy: 0.3663631137884932
Energy: 0.3260344358551675
Energy: 0.3581611007241417
Energy: 0.3169841527846374
Energy: 0.35816110072452556
Energy: 0.31698415278425346
Energy: 0.35816110072529334
Energy: 0.31698415277964676
Energy: 0.3760195478915886
Energy: 0.37231867065927876
Energy: 0.3760195478912047
Energy: 0.3723186706596627
Energy: 0.3760195478919725
Energy: 0.37231867065927876
Energy: 0.3697900179128417
Energy: 0.3678804805844054
Energy: 0.36979001789287946
Energy: 0.3678804805847892
Energy: 0.36979001790785115
Energy: 0.3678804805844054
Energy: 0.35573712430497434
Energy: 0.38241442942267073
Energy: 0.35573712430574217
Energy: 0.3824144294242063
Energy: 0.3557371243045905
Energy: 0.38241442941652853
Energy: 0.3587171437640458
Energy: 0.3189476214410104
Energy: 0.3587171437640458
Energy: 0.31894762145636596
Energy: 0.3587171437644297
Energy: 0.3189476214483043
Energy: 0.34944099449530885
Energy: 0.3501968415870095
Energy: 0.34944099449530885
Energy: 0.3501968415870095
Energy: 0.3494409944960767
Energy: 0.3501968415873934
Energy: 0.34711520952247027
Energy: 0.36632793682552267
Energy: 0.3471152095213186
Energy: 0.3663279368247549
Energy: 0.34711520952285413
Energy: 0.3663279368247549
Energy: 0.3282584461602036
Energy: 0.35949989535205384
Energy: 0.32825844616135524
Energy: 0.35949989535167
Energy: 0.32825844616058747
Energy: 0.35949989535205384
Energy: 0.3160587306976925
Energy: 0.32608536313219416
Energy: 0.316058730699612
Energy: 0.32608536313219416
Energy: 0.3160587306988442
Energy: 0.32608536313219416
Energy: 0.34990095675254795
Energy: 0.36161403251635954
Energy: 0.34990095675254795
Energy: 0.36161403251866286
Energy: 0.3499009567521641
Energy: 0.36161403251635954
Energy: 0.34181441964580084
Energy: 0.4534482588427848
Energy: 0.3418144196461847
Energy: 0.45344825884355255
Energy: 0.3418144196461847
Energy: 0.4534482588431687
Energy: 0.3164100932508028
Energy: 0.3164094200769284
Energy: 0.3164100932496512
Energy: 0.3164094200769284
Energy: 0.3164100932500351
Energy: 0.3164094200769284
Energy: 0.3432693767322412
Energy: 0.31962412268709267
Energy: 0.3432693767337768
Energy: 0.3196241226878605
Energy: 0.3432693767318573
Energy: 0.3196241226889772
Energy: 0.40479912760492653
Energy: 0.401198778308485
Energy: 0.40479912760454256
Energy: 0.4011987783081011
Energy: 0.40479912760454256
Energy: 0.4011987783092527
Energy: 0.3172088542545574
Energy: 0.353226060407824
Energy: 0.31720885425417356
Energy: 0.353226060407824
Energy: 0.317208854256093
Energy: 0.3532260604082078
Energy: 0.3252589730103904
Energy: 0.3192603525997914
Energy: 0.3252589730107744
Energy: 0.3192603525994075
Energy: 0.3252589730096227
Energy: 0.3192603525997914

minimum gb energy = 0.3160587306976925 eV
minimum distance =  2.63221651691607 Angstroms
sigma value = 81


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

Energy: 0.19031843628893183
Energy: 0.20513763927632628
Energy: 0.08651978995404537
Energy: 0.20513763927632628
Energy: 0.19031843628893183
Energy: 0.2051376392754768
Energy: 0.4446691676483424
Energy: 0.0867774167582775
Energy: 0.4446691676483424
Energy: 0.08677741675813323
Energy: 0.4446691676484867
Energy: 0.08677741675770047
Energy: 0.4363087227890199
Energy: 0.08708283919116082
Energy: 0.4363087227883147
Energy: 0.08708283919101656
Energy: 0.4363087227890199
Energy: 0.08708283919087231
Energy: 0.08651978995375686
Energy: 0.20513763927659875
Energy: 0.08651978995390112
Energy: 0.20513763927659875
Energy: 0.08651978995390112
Energy: 0.20513763927576525
Energy: 0.4446691676501857
Energy: 0.08677741675798899
Energy: 0.44466916765060244
Energy: 0.08677741675798899
Energy: 0.4446691676501857
Energy: 0.08677741675798899
Energy: 0.4363087227890199
Energy: 0.08708283918960605
Energy: 0.4363087227890199
Energy: 0.08708283918975032
Energy: 0.43630872278887556
Energy: 0.08708283918975032
Energy: 0.19031843628907605
Energy: 0.205137639276182
Energy: 0.08651978995418962
Energy: 0.205137639276182
Energy: 0.1903184362892203
Energy: 0.2051376392754768
Energy: 0.44466916764863096
Energy: 0.08677741675531224
Energy: 0.4446691676490477
Energy: 0.08677741675572899
Energy: 0.44466916764863096
Energy: 0.08677741675616174
Energy: 0.4363087227891641
Energy: 0.08708283918987854
Energy: 0.4363087227891641
Energy: 0.08708283918987854
Energy: 0.4363087227891641
Energy: 0.08708283919016706
Energy: 0.08651978995390112
Energy: 0.2051376392758935
Energy: 0.08651978995390112
Energy: 0.2051376392758935
Energy: 0.08651978995404537
Energy: 0.2051376392749158

minimum gb energy = 0.08651978995375686 eV
minimum distance =  2.76679417456484 Angstroms
sigma value = 3


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

Energy: 0.4150909225900289
Energy: 0.32661810380140144
Energy: 0.4150909225891847
Energy: 0.32661810380140144
Energy: 0.4150909225887626
Energy: 0.32661810380140144
Energy: 0.34882198096769035
Energy: 0.3067654667271801
Energy: 0.34882198096769035
Energy: 0.30676546673097893
Energy: 0.34882198096726824
Energy: 0.3067654667326673
Energy: 0.3682102464001268
Energy: 0.3051833803169845
Energy: 0.3682102463992826
Energy: 0.30518338031740666
Energy: 0.3682102464001268
Energy: 0.3051833803169845
Energy: 0.3466780957542413
Energy: 0.3334121322092159
Energy: 0.3466780957550855
Energy: 0.3334121322092159
Energy: 0.3466780957563518
Energy: 0.3334121322092159
Energy: 0.29397021618695357
Energy: 0.32937875221205076
Energy: 0.2939702161877978
Energy: 0.3293787522124728
Energy: 0.2939702161865315
Energy: 0.32937875221205076
Energy: 0.3359273929926495
Energy: 0.34659140410267114
Energy: 0.3359273929922274
Energy: 0.34659140410224903
Energy: 0.3359273929926495
Energy: 0.34659140410224903
Energy: 0.2967144374432258
Energy: 0.3306175649687418
Energy: 0.2967144374390048
Energy: 0.3306175649687418
Energy: 0.29671443744027104
Energy: 0.330617564969586
Energy: 0.2949326669588391
Energy: 0.32923982494726745
Energy: 0.2949326669592611
Energy: 0.32923982494811166
Energy: 0.2949326669588391
Energy: 0.32923982494768955
Energy: 0.3388382492687227
Energy: 0.3319950929101913
Energy: 0.3388382492687227
Energy: 0.3319950929093471
Energy: 0.3388382492687227
Energy: 0.3319950929110355
Energy: 0.3201890658408393
Energy: 0.3517451356643006
Energy: 0.3201890658416835
Energy: 0.35174513566472265
Energy: 0.3201890658412614
Energy: 0.3517451356643006
Energy: 0.35454870455744353
Energy: 0.37760593788657504
Energy: 0.35454870455786563
Energy: 0.37760593788657504
Energy: 0.35454870455786563
Energy: 0.37760593788657504
Energy: 0.3865765256567109
Energy: 0.3639198837781124
Energy: 0.38657652565713296
Energy: 0.3639198837789566
Energy: 0.38657652565713296
Energy: 0.3639198837781124
Energy: 0.3255492288766091
Energy: 0.3379416367726693
Energy: 0.3255492288766091
Energy: 0.3379416367726693
Energy: 0.32554922887703125
Energy: 0.3379416367726693
Energy: 0.3151926167190879
Energy: 0.34182921931553484
Energy: 0.31519261671950993
Energy: 0.34182921931595694
Energy: 0.3151926167190879
Energy: 0.34182921931553484
Energy: 0.345772470416759
Energy: 0.3450461162772867
Energy: 0.3457724704171811
Energy: 0.3450461162772867
Energy: 0.345772470416759
Energy: 0.3450461162768646
Energy: 0.3251162504913382
Energy: 0.3496407917326864
Energy: 0.32511625049218235
Energy: 0.3496407917331085
Energy: 0.325116250490494
Energy: 0.3496407917326864
Energy: 0.36715584931931183
Energy: 0.3063496031106989
Energy: 0.3671558493188898
Energy: 0.306349603111121
Energy: 0.36715584931931183
Energy: 0.3063496031106989
Energy: 0.3096999247925825
Energy: 0.32940800834126166
Energy: 0.3096999247921604
Energy: 0.3294080083366378
Energy: 0.3096999247921604
Energy: 0.32940800834041745
Energy: 0.3454121671663736
Energy: 0.300107269724429
Energy: 0.3454121671663736
Energy: 0.3001072697231627
Energy: 0.34541216716763984
Energy: 0.3001072697235848
Energy: 0.34131479573308793
Energy: 0.3634892939772218
Energy: 0.34131479573308793
Energy: 0.3634892939767997
Energy: 0.34131479573308793
Energy: 0.3634892939763776
Energy: 0.3223082732542309
Energy: 0.30904596951918684
Energy: 0.3223082732554972
Energy: 0.3090459695170764
Energy: 0.322308273254653
Energy: 0.30904596951918684
Energy: 0.3587679735493085
Energy: 0.3579295916740316
Energy: 0.3587679735480423
Energy: 0.3579295916740316
Energy: 0.3587679735484643
Energy: 0.3579295916740316
Energy: 0.34605256530833045
Energy: 0.36336264818766384
Energy: 0.34605256530790834
Energy: 0.36336264818766384
Energy: 0.34605256530790834
Energy: 0.3633626481906185
Energy: 0.3517712390742522
Energy: 0.3003561766407267
Energy: 0.3517712390742522
Energy: 0.30035617664157094
Energy: 0.35177123907383007
Energy: 0.3003561766407267
Energy: 0.3243849000676726
Energy: 0.34221281161740275
Energy: 0.3243849000680948
Energy: 0.34221281161698064
Energy: 0.3243849000676726
Energy: 0.34221281161740275
Energy: 0.3252174998614649
Energy: 0.3294013640858583
Energy: 0.32521749986230913
Energy: 0.3294013640862804
Energy: 0.3252174998614649
Energy: 0.3294013640858583
Energy: 0.3938837743291895
Energy: 0.30089488372301415
Energy: 0.3938837743291895
Energy: 0.300894883722592
Energy: 0.3938837743291895
Energy: 0.3008948837234362
Energy: 0.32048877123927555
Energy: 0.36962753045197455
Energy: 0.3204887712380093
Energy: 0.36962753045197455
Energy: 0.3204887712384314
Energy: 0.36962753045197455
Energy: 0.3121881836895288
Energy: 0.32941239501377695
Energy: 0.3121881836895288
Energy: 0.32941239501377695
Energy: 0.3121881836895288
Energy: 0.32941239501377695
Energy: 0.4014705515587661
Energy: 0.3161175671832905
Energy: 0.40147055155961037
Energy: 0.3161175671837126
Energy: 0.4014705515587661
Energy: 0.3161175671849597
Energy: 0.33783724884623106
Energy: 0.3621848403873583
Energy: 0.33783724884580896
Energy: 0.3621848403873583
Energy: 0.33783724884623106
Energy: 0.3621848403873583
Energy: 0.34834107618343374
Energy: 0.31845487517520205
Energy: 0.3483410761830117
Energy: 0.31845487517477994
Energy: 0.34834107618343374
Energy: 0.31845487517477994
Energy: 0.3788138697758208
Energy: 0.3211428621470558
Energy: 0.3788138697758208
Energy: 0.3211428621474779
Energy: 0.3788138697758208
Energy: 0.3211428621470558

minimum gb energy = 0.2939702161865315 eV
minimum distance =  2.6770809174433 Angstroms
sigma value = 67


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

Energy: 0.3741374763532683
Energy: 0.38442645050554725
Energy: 0.37413747635266675
Energy: 0.3844264505043443
Energy: 0.3741374763562755
Energy: 0.3844264505043443
Energy: 0.398778257128534
Energy: 0.39737212251213416
Energy: 0.39877825712913545
Energy: 0.39737212251213416
Energy: 0.398778257128534
Energy: 0.39737212251213416
Energy: 0.43871327903304747
Energy: 0.3995427178043543
Energy: 0.43871327903304747
Energy: 0.39954271780375294
Energy: 0.43871327903304747
Energy: 0.3995427178043543
Energy: 0.45070086608708443
Energy: 0.37630048020985457
Energy: 0.4507008660876859
Energy: 0.37630048020985457
Energy: 0.45070086608708443
Energy: 0.37630048020985457
Energy: 0.4031378733753677
Energy: 0.39006521218567014
Energy: 0.40313787337596907
Energy: 0.3900652121844673
Energy: 0.4031378733753677
Energy: 0.39006521218567014
Energy: 0.4181773547909624
Energy: 0.41412511265903346
Energy: 0.41817735479036094
Energy: 0.41412511265903346
Energy: 0.4181773547909624
Energy: 0.41412511265903346
Energy: 0.3877901552512346
Energy: 0.42530127625858893
Energy: 0.3877901552512346
Energy: 0.42530127625858893
Energy: 0.38779015525063315
Energy: 0.42530127625858893
Energy: 0.43366939451317527
Energy: 0.40278340333132107
Energy: 0.4336693945125738
Energy: 0.40278340333192253
Energy: 0.43366939451317527
Energy: 0.40278340333132107
Energy: 0.4202035458000659
Energy: 0.4403017285881102
Energy: 0.4202035458000659
Energy: 0.44030172858750877
Energy: 0.4202035458006674
Energy: 0.44030172858750877
Energy: 0.363084778254573
Energy: 0.4052962989335758
Energy: 0.3630847782539717
Energy: 0.4052962989335758
Energy: 0.36308477825517455
Energy: 0.4052962989329743
Energy: 0.3803236576544449
Energy: 0.43675682383847325
Energy: 0.3803236576544449
Energy: 0.43675682383847325
Energy: 0.3803236576538434
Energy: 0.43675682383847325
Energy: 0.3902667254223033
Energy: 0.4246703241965314
Energy: 0.3902667254211004
Energy: 0.4246703241965314
Energy: 0.3902667254217019
Energy: 0.4246703241965314
Energy: 0.39268892858762006
Energy: 0.432424155500403
Energy: 0.39268892858762006
Energy: 0.432424155500403
Energy: 0.39268892858762006
Energy: 0.432424155500403
Energy: 0.38483589952963015
Energy: 0.4672611271761245
Energy: 0.38483589952963015
Energy: 0.4672611271761245
Energy: 0.38483589952963015
Energy: 0.4672611271761245
Energy: 0.3953370947801278
Energy: 0.39671514044548006
Energy: 0.39533709478133056
Energy: 0.3967151404460814
Energy: 0.39533709478072915
Energy: 0.39671514044548006
Energy: 0.39459322014503867
Energy: 0.38661531309584873
Energy: 0.39459322014503867
Energy: 0.38661531309584873
Energy: 0.3945932201456402
Energy: 0.38661531309584873
Energy: 0.3841892071892288
Energy: 0.39793889260061327
Energy: 0.3841892071892288
Energy: 0.39793889260061327
Energy: 0.3841892071892288
Energy: 0.39793889260061327
Energy: 0.41044981708882183
Energy: 0.34302876422835615
Energy: 0.41044981708882183
Energy: 0.3430287642289576
Energy: 0.41044981708882183
Energy: 0.3430287642289576
Energy: 0.4327905009157422
Energy: 0.4346565632604224
Energy: 0.4327905009157422
Energy: 0.4346565632604224
Energy: 0.4327905009157422
Energy: 0.4346565632604224
Energy: 0.41941962859958787
Energy: 0.3710306395340492
Energy: 0.41941962859958787
Energy: 0.3710306395346507
Energy: 0.41941962859958787
Energy: 0.3710306395340492
Energy: 0.42105899097287697
Energy: 0.3526089450999427
Energy: 0.42105899097287697
Energy: 0.3526089450999427
Energy: 0.42105899097287697
Energy: 0.3526089450999427
Energy: 0.4508030987592442
Energy: 0.43813298999744826
Energy: 0.4508030987592442
Energy: 0.43813298999744826
Energy: 0.4508030987598457
Energy: 0.43813298999744826
Energy: 0.36275527296914883
Energy: 0.37055839287762427
Energy: 0.36275527296975024
Energy: 0.37055839287762427
Energy: 0.36275527296914883
Energy: 0.3705583928770228

minimum gb energy = 0.34302876422835615 eV
minimum distance =  2.68245777100033 Angstroms
sigma value = 33


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

Energy: 0.5081210078049139
Energy: 0.41229597852536803
Energy: 0.48706304268100475
Energy: 0.4122959785226973
Energy: 0.50812100780148
Energy: 0.4122959785226973
Energy: 0.440241584517544
Energy: 0.4376110920857284
Energy: 0.4402415845149079
Energy: 0.4376110920845838
Energy: 0.4402415845186886
Energy: 0.4376110920845838
Energy: 0.4618140319144908
Energy: 0.43934645290407986
Energy: 0.4618140319156354
Energy: 0.43934645290751373
Energy: 0.4618140319133462
Energy: 0.43934645290751373
Energy: 0.4857807356520357
Energy: 0.4083022233505993
Energy: 0.4857807356524172
Energy: 0.40830222334602084
Energy: 0.4857807356520357
Energy: 0.40830222334602084
Energy: 0.4625043437028083
Energy: 0.437593416776997
Energy: 0.4625043437043345
Energy: 0.4375934167743262
Energy: 0.4625043437043345
Energy: 0.4375934167743262
Energy: 0.5014929191659004
Energy: 0.4779838868228666
Energy: 0.5014929191632296
Energy: 0.4779838868247743
Energy: 0.5014929191617381
Energy: 0.4523113560806731
Energy: 0.422499713110413
Energy: 0.43310311433074145
Energy: 0.4224997131092684
Energy: 0.43310311433303067
Energy: 0.4224997131069792
Energy: 0.43310311433303067
Energy: 0.4286767858273115
Energy: 0.4870570077573988
Energy: 0.42867678582845614
Energy: 0.4870570077619773
Energy: 0.4286767858292192
Energy: 0.4870570077615958
Energy: 0.43369616407083195
Energy: 0.46691477227646694
Energy: 0.4336934572680182
Energy: 0.46691477227226996
Energy: 0.4336961640735027
Energy: 0.46691477227226996
Energy: 0.4229279669106384
Energy: 0.4396761088667125
Energy: 0.42292796691216455
Energy: 0.43967610886404174
Energy: 0.4229279669102568
Energy: 0.4396761088636602
Energy: 0.44757072768997824
Energy: 0.4852516101186052
Energy: 0.4476059363620791
Energy: 0.48525161011593443
Energy: 0.4475707276892152
Energy: 0.48525161011593443
Energy: 0.4221767181649855
Energy: 0.45088856620676726
Energy: 0.42217671816460395
Energy: 0.45088856620676726
Energy: 0.4221767181699108
Energy: 0.45088856620676726
Energy: 0.44146027602621896
Energy: 0.4145531154721809
Energy: 0.44146027602583743
Energy: 0.4145531154714179
Energy: 0.4414602760239297
Energy: 0.4145531154721809
Energy: 0.43818579428012894
Energy: 0.4352150635237412
Energy: 0.43818579428012894
Energy: 0.4352150635199258
Energy: 0.43818579427860277
Energy: 0.4352150635199258
Energy: 0.4378792572103961
Energy: 0.4387615837023856
Energy: 0.4378792572111591
Energy: 0.43876158369971485
Energy: 0.43787925720963305
Energy: 0.43876158369971485
Energy: 0.487473892010225
Energy: 0.4408370058111386
Energy: 0.4874738920117512
Energy: 0.440837005809994
Energy: 0.48747389201404046
Energy: 0.44083700580961244
Energy: 0.4603327632270178
Energy: 0.4181709191643326
Energy: 0.46033276322549177
Energy: 0.4181709191635695
Energy: 0.4603327632243471
Energy: 0.4181709191628064
Energy: 0.46963276230177975
Energy: 0.473122136996804
Energy: 0.46963276230101675
Energy: 0.4731221369983301
Energy: 0.4696327622975828
Energy: 0.4731221369979486
Energy: 0.4218857527925465
Energy: 0.4531761717959465
Energy: 0.42188575279178336
Energy: 0.4531761717959465
Energy: 0.42188575279178336
Energy: 0.4531761717959465
Energy: 0.4919233282524562
Energy: 0.4249448061367809
Energy: 0.4919233282532193
Energy: 0.4249448061318209
Energy: 0.49192332825360086
Energy: 0.4249448061318209
Energy: 0.46541392422232414
Energy: 0.47821964541573986
Energy: 0.4647724369492834
Energy: 0.4782196454195552
Energy: 0.4654139242173641
Energy: 0.47821964541993683
Energy: 0.4400652103535252
Energy: 0.4353951929707043
Energy: 0.44006521035543295
Energy: 0.4353951929722305
Energy: 0.4400652103523806
Energy: 0.435395192972612
Energy: 0.4575921525703448
Energy: 0.5019295051372317
Energy: 0.44110801236895747
Energy: 0.5019295051376133
Energy: 0.45759215257263414
Energy: 0.5019295051376133
Energy: 0.46237571947591805
Energy: 0.44536620011986355
Energy: 0.4426207369965411
Energy: 0.4453662001194821
Energy: 0.4623757194743919
Energy: 0.4453662001191005
Energy: 0.4424743439016197
Energy: 0.4445588414272953
Energy: 0.4236897002639478
Energy: 0.44455884142920304
Energy: 0.44247434390314594
Energy: 0.44455884142920304
Energy: 0.43276656624725784
Energy: 0.48850010629614743
Energy: 0.4327665662491656
Energy: 0.48850010629919965
Energy: 0.43276656624840254
Energy: 0.4885001062988182
Energy: 0.42193084147723525
Energy: 0.4670108274293923
Energy: 0.42193084147876136
Energy: 0.4670108274282477
Energy: 0.42193084147647214
Energy: 0.4670108274286292
Energy: 0.48609916732618347
Energy: 0.5017770880470342
Energy: 0.48609916732580194
Energy: 0.501777088048942
Energy: 0.48609916732770964
Energy: 0.501777088048942
Energy: 0.46655646377069016
Energy: 0.44640269522108283
Energy: 0.46655646376992704
Energy: 0.44640269521726744
Energy: 0.46655646376687465
Energy: 0.4464026952176489
Energy: 0.4231813479703961
Energy: 0.48802187159929966
Energy: 0.42318134797077767
Energy: 0.4880218716015889
Energy: 0.42318134796810686
Energy: 0.4880218716012073
Energy: 0.5123063137508349
Energy: 0.46095967217136014
Energy: 0.512306313751598
Energy: 0.4609596721725047
Energy: 0.512306313748164
Energy: 0.4609596721725047
Energy: 0.46631288576125657
Energy: 0.425166021450847
Energy: 0.4662160676257361
Energy: 0.42516602145122845
Energy: 0.46631288575591495
Energy: 0.425166021450847
Energy: 0.48823975009262144
Energy: 0.44403742810503843
Energy: 0.48823777410124486
Energy: 0.44403742810503843
Energy: 0.48823975009491066
Energy: 0.44403742810542
Energy: 0.4581624475674958
Energy: 0.43817759956551044
Energy: 0.4581624475713112
Energy: 0.43817759956741814
Energy: 0.4581624475713112
Energy: 0.43817759956741814
Energy: 0.4335184137467818
Energy: 0.439553411009291
Energy: 0.433518413749834
Energy: 0.4395534110127248
Energy: 0.4335184137502156
Energy: 0.4395534110127248
Energy: 0.4935315115535692
Energy: 0.4095054766306617
Energy: 0.4935315115539508
Energy: 0.40950547663218795
Energy: 0.4935315115535692
Energy: 0.40950547663218795
Energy: 0.441759035296069
Energy: 0.43820939644274853
Energy: 0.4417590352975951
Energy: 0.4382093964416039
Energy: 0.4417590352945428
Energy: 0.4382093964412223

minimum gb energy = 0.40830222334602084 eV
minimum distance =  2.56191759603645 Angstroms
sigma value = 41


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

Energy: 0.5155907728610789
Energy: 0.4500039251359154
Energy: 0.5155907728610789
Energy: 0.45000392513695714
Energy: 0.5155907728610789
Energy: 0.45000392513695714
Energy: 0.4586265223206696
Energy: 0.475327952125002
Energy: 0.45862652232171125
Energy: 0.475327952125002
Energy: 0.4586265223206696
Energy: 0.475327952125002
Energy: 0.5456140485240933
Energy: 0.47637246453910076
Energy: 0.5456140485240933
Energy: 0.47637246453910076
Energy: 0.5456140485240933
Energy: 0.47637246453910076
Energy: 0.48881530909404547
Energy: 0.5576505525782786
Energy: 0.48881530909404547
Energy: 0.5576505525782786
Energy: 0.48881530909404547
Energy: 0.5576505525782786
Energy: 0.5075357337485733
Energy: 0.48043742671652984
Energy: 0.5075357337485733
Energy: 0.48043742671652984
Energy: 0.5075357337485733
Energy: 0.48043742671652984
Energy: 0.528274815286751
Energy: 0.4964195992641701
Energy: 0.528274815286751
Energy: 0.4964195992620866
Energy: 0.528274815286751
Energy: 0.4964195992620866
Energy: 0.47603143308713947
Energy: 0.5182179184143757
Energy: 0.47603143308713947
Energy: 0.5182179184154174
Energy: 0.47603143308713947
Energy: 0.5182179184154174
Energy: 0.480306905052127
Energy: 0.5049516720556516
Energy: 0.480306905052127
Energy: 0.5049516720556516
Energy: 0.480306905052127
Energy: 0.5049516720556516
Energy: 0.45990433138478065
Energy: 0.4610002495892507
Energy: 0.45990433138478065
Energy: 0.4610002495892507
Energy: 0.4599043313858224
Energy: 0.4610002495892507
Energy: 0.5106025230403273
Energy: 0.45138481052750123
Energy: 0.5106025230403273
Energy: 0.45138481052750123
Energy: 0.5106025230403273
Energy: 0.45138481052750123
Energy: 0.4599565718597475
Energy: 0.47654192332627704
Energy: 0.4599565718597475
Energy: 0.47654192332627704
Energy: 0.4599565718597475
Energy: 0.47654192332627704
Energy: 0.4937249804363002
Energy: 0.47481200324686007
Energy: 0.4937249804363002
Energy: 0.47481200324686007
Energy: 0.4937249804363002
Energy: 0.47481200324686007
Energy: 0.5109099564362635
Energy: 0.5177016887674988
Energy: 0.5109099564352216
Energy: 0.517701688766457
Energy: 0.5109099564362635
Energy: 0.517701688766457
Energy: 0.505292539505037
Energy: 0.480517492427922
Energy: 0.505292539505037
Energy: 0.480517492427922
Energy: 0.505292539505037
Energy: 0.480517492427922

minimum gb energy = 0.4500039251359154 eV
minimum distance =  2.62368523951386 Angstroms
sigma value = 11


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

Energy: 0.5657769074308707
Energy: 0.5328056908934636
Energy: 0.5657769074313282
Energy: 0.5328056908934636
Energy: 0.5657769074308707
Energy: 0.5328056908934636
Energy: 0.48506602560979156
Energy: 0.5346557098994825
Energy: 0.48506602560933393
Energy: 0.5346557098994825
Energy: 0.4850660256107068
Energy: 0.5346557098994825
Energy: 0.5327220733234249
Energy: 0.5257842313702767
Energy: 0.5327220733238824
Energy: 0.5257842313698191
Energy: 0.5327220733238824
Energy: 0.5257842313698191
Energy: 0.5289662182124883
Energy: 0.49706952848852953
Energy: 0.5289662182120306
Energy: 0.49706952848807195
Energy: 0.528966218212946
Energy: 0.49706952848807195
Energy: 0.5456058661955397
Energy: 0.5252482278397496
Energy: 0.545605866196455
Energy: 0.5252482278397496
Energy: 0.5456058661955397
Energy: 0.5252482278397496
Energy: 0.5064236084949634
Energy: 0.533886883455985
Energy: 0.5064236084949634
Energy: 0.5338868834555274
Energy: 0.5064236084945057
Energy: 0.5338868834555274
Energy: 0.5331546680732651
Energy: 0.5203491159065734
Energy: 0.5331546680728074
Energy: 0.5203491159065734
Energy: 0.5331546680732651
Energy: 0.5203491159065734
Energy: 0.513837123996387
Energy: 0.5164174066140207
Energy: 0.513837123996387
Energy: 0.5164174066140207
Energy: 0.5138371239959295
Energy: 0.5164174066140207
Energy: 0.5183377371870629
Energy: 0.5172221652457788
Energy: 0.5183377371875204
Energy: 0.5172221652457788
Energy: 0.5183377371870629
Energy: 0.5172221652457788
Energy: 0.52312820138692
Energy: 0.5295837105199727
Energy: 0.5231282013864624
Energy: 0.5295837105199727
Energy: 0.52312820138692
Energy: 0.5295837105199727
Energy: 0.511509042269686
Energy: 0.5365001585659482
Energy: 0.511509042269686
Energy: 0.536500158566406
Energy: 0.5115090422701227
Energy: 0.536500158566406
Energy: 0.5279727499122839
Energy: 0.5420779773264801
Energy: 0.5279727499127416
Energy: 0.5420779773264801
Energy: 0.5279727499122839
Energy: 0.5420779773264801
Energy: 0.5336525462623443
Energy: 0.5272205719821648
Energy: 0.5336525462618866
Energy: 0.5272205719821648
Energy: 0.5336525462618866
Energy: 0.5272205719821648
Energy: 0.5043862858423772
Energy: 0.5411308741243488
Energy: 0.5043862858428348
Energy: 0.5411308741243488
Energy: 0.5043862858419196
Energy: 0.5411308741243488
Energy: 0.5021575140786398
Energy: 0.5073701037126084
Energy: 0.5021575140777247
Energy: 0.5073701037126084
Energy: 0.5021575140777247
Energy: 0.5073701037126084
Energy: 0.5366888460442881
Energy: 0.5201893787887067
Energy: 0.5366888460447459
Energy: 0.5201893787887067
Energy: 0.5366888460438305
Energy: 0.5201893787887067
Energy: 0.49505004247385204
Energy: 0.5403472606760537
Energy: 0.49505004247385204
Energy: 0.5403472606760537
Energy: 0.49505004247430967
Energy: 0.5403472606760537
Energy: 0.5567882577737717
Energy: 0.5609115848922316
Energy: 0.5567882577737717
Energy: 0.560911584891774
Energy: 0.5567882577733141
Energy: 0.5609115848922316
Energy: 0.5051604421723285
Energy: 0.4962143221326521
Energy: 0.505160442172786
Energy: 0.4962143221326521
Energy: 0.5051604421718708
Energy: 0.4962143221326521
Energy: 0.5263331159051262
Energy: 0.5313882279870616
Energy: 0.5263331159046686
Energy: 0.5313882279870616
Energy: 0.5263331159046686
Energy: 0.5313882279870616
Energy: 0.49504840991316934
Energy: 0.5021416475134237
Energy: 0.49504840991316934
Energy: 0.502141647512966
Energy: 0.495048409913627
Energy: 0.502141647512966
Energy: 0.5514618809530173
Energy: 0.5328750316817192
Energy: 0.5514618809539327
Energy: 0.5328750316817192
Energy: 0.5514618809530173
Energy: 0.5328750316817192
Energy: 0.527738943373582
Energy: 0.5257454919575492
Energy: 0.5277389433744971
Energy: 0.5257454919575492
Energy: 0.5277389433731243
Energy: 0.5257454919575492
Energy: 0.5453789630870594
Energy: 0.5348713421937037
Energy: 0.545378963087517
Energy: 0.5348713421937037
Energy: 0.545378963087517
Energy: 0.5348713421937037
Energy: 0.5139328269090012
Energy: 0.5187316108517434
Energy: 0.5139328269085436
Energy: 0.5187316108517434
Energy: 0.5139328269090012
Energy: 0.5187316108517434
Energy: 0.5096229100713467
Energy: 0.534664644534401
Energy: 0.5096229100713467
Energy: 0.534664644534401
Energy: 0.5096229100708892
Energy: 0.534664644534401
Energy: 0.5126493391815057
Energy: 0.5330269069033229
Energy: 0.5126493391815057
Energy: 0.5330269069033229
Energy: 0.512649339181048
Energy: 0.5330269069033229
Energy: 0.5413149646797488
Energy: 0.5024581365913701
Energy: 0.5413149646797488
Energy: 0.5024581365918277
Energy: 0.5413149646797488
Energy: 0.5024581365918277
Energy: 0.5068391857977027
Energy: 0.545244403197434
Energy: 0.5068391857972451
Energy: 0.545244403197434
Energy: 0.5068391857972451
Energy: 0.545244403197434
Energy: 0.5015058086995938
Energy: 0.4840116650062278
Energy: 0.5015058087000513
Energy: 0.4840116650062278
Energy: 0.5015058087000513
Energy: 0.4840116650062278
Energy: 0.5228500718311598
Energy: 0.5514730793911882
Energy: 0.5228500718307022
Energy: 0.5514730793907306
Energy: 0.5228500718307022
Energy: 0.5514730793911882

minimum gb energy = 0.4840116650062278 eV
minimum distance =  2.58701073515358 Angstroms
sigma value = 57


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

Energy: 0.49184147184813454
Energy: 0.4670584016577051
Energy: 0.49184147184813454
Energy: 0.4670584016585195
Energy: 0.49184147184813454
Energy: 0.4670584016585195
Energy: 0.5247186524414246
Energy: 0.4839639180518878
Energy: 0.5247186524414246
Energy: 0.4839639180518878
Energy: 0.5247186524422389
Energy: 0.48396391805107347
Energy: 0.5259195613842802
Energy: 0.5139550166691257
Energy: 0.5259195613842802
Energy: 0.5139550166699216
Energy: 0.5259195613842802
Energy: 0.5139550166691257
Energy: 0.4980336912934426
Energy: 0.505906058148213
Energy: 0.49803369129262826
Energy: 0.505906058148213
Energy: 0.4980336912934426
Energy: 0.505906058148213
Energy: 0.5261001377239504
Energy: 0.5139030910688339
Energy: 0.5261001377239504
Energy: 0.5139030910688339
Energy: 0.526100137723136
Energy: 0.5139030910688339
Energy: 0.5246746042217901
Energy: 0.48158953586769004
Energy: 0.5246746042217901
Energy: 0.48158953586769004
Energy: 0.5246746042209757
Energy: 0.48158953586769004
Energy: 0.49184147184894894
Energy: 0.4670584016568908
Energy: 0.49184147184894894
Energy: 0.4670584016568908
Energy: 0.49184147184894894
Energy: 0.4670584016568908
Energy: 0.5247186524397959
Energy: 0.4839639180518878
Energy: 0.5247186524406102
Energy: 0.4839639180518878
Energy: 0.5247186524406102
Energy: 0.4839639180518878
Energy: 0.5259195613859089
Energy: 0.5139550166699216
Energy: 0.5259195613859089
Energy: 0.5139550166699216
Energy: 0.5259195613859089
Energy: 0.5139550166699216
Energy: 0.4980336912934426
Energy: 0.5059060581473986
Energy: 0.4980336912942569
Energy: 0.5059060581465843
Energy: 0.4980336912934426
Energy: 0.5059060581473986
Energy: 0.5261001377255791
Energy: 0.5139030910680195
Energy: 0.5261001377263934
Energy: 0.5139030910680195
Energy: 0.5261001377255791
Energy: 0.5139030910680195
Energy: 0.5246746042209757
Energy: 0.4815895358685044
Energy: 0.5246746042217901
Energy: 0.4815895358685044
Energy: 0.5246746042217901
Energy: 0.4815895358685044
Energy: 0.49184147184813454
Energy: 0.4670584016577051
Energy: 0.49184147184813454
Energy: 0.4670584016585195
Energy: 0.49184147184813454
Energy: 0.4670584016577051
Energy: 0.5247186524414246
Energy: 0.4839639180518878
Energy: 0.5247186524414246
Energy: 0.48396391805270217
Energy: 0.5247186524414246
Energy: 0.4839639180518878
Energy: 0.5259195613842802
Energy: 0.5139550166691257
Energy: 0.5259195613834659
Energy: 0.5139550166699216
Energy: 0.5259195613842802
Energy: 0.5139550166691257
Energy: 0.4980336912934426
Energy: 0.505906058148213
Energy: 0.49803369129262826
Energy: 0.5059060581473986
Energy: 0.49803369129262826
Energy: 0.5059060581465843
Energy: 0.5261001377247647
Energy: 0.5139030910688339
Energy: 0.5261001377247647
Energy: 0.5139030910688339
Energy: 0.526100137723136
Energy: 0.5139030910688339

minimum gb energy = 0.4670584016568908 eV
minimum distance =  2.62754173479485 Angstroms
sigma value = 9


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

Energy: 0.5160133430494501
Energy: 0.570511906858494
Energy: 0.5160133430494501
Energy: 0.5705119068591589
Energy: 0.5160133430487852
Energy: 0.5705119068591589
Energy: 0.542440443003269
Energy: 0.5711662155492087
Energy: 0.542440443003269
Energy: 0.5711662155485739
Energy: 0.542440443003269
Energy: 0.5711662155492087
Energy: 0.533447692142177
Energy: 0.5208829454433622
Energy: 0.533447692142177
Energy: 0.5208829454433622
Energy: 0.533447692142177
Energy: 0.5208829454433622
Energy: 0.5038468354024498
Energy: 0.5865909385730801
Energy: 0.5038468354024498
Energy: 0.5865909385730801
Energy: 0.5038468354024498
Energy: 0.5865909385730801
Energy: 0.5214652811330582
Energy: 0.5498837017716616
Energy: 0.5214652811323933
Energy: 0.5498837017723265
Energy: 0.5214652811323933
Energy: 0.5498837017723265
Energy: 0.5544031819671268
Energy: 0.5178839488995756
Energy: 0.5544031819684566
Energy: 0.5178839488995756
Energy: 0.5544031819691215
Energy: 0.5178839488995756
Energy: 0.5118342094933799
Energy: 0.5367469357606461
Energy: 0.511834209492715
Energy: 0.5367469357606461
Energy: 0.5118342094933799
Energy: 0.5367469357606461
Energy: 0.5359053246772721
Energy: 0.5282607071780999
Energy: 0.5359053246779371
Energy: 0.5282607071780999
Energy: 0.5359053246772721
Energy: 0.5282607071780999
Energy: 0.5790799953760145
Energy: 0.5193506238346653
Energy: 0.5790799953773443
Energy: 0.5193506238346653
Energy: 0.5790799953773443
Energy: 0.5193506238346653
Energy: 0.5037548713410555
Energy: 0.5271551132352745
Energy: 0.5037548713403905
Energy: 0.5271551132346097
Energy: 0.5037548713410555
Energy: 0.5271551132352745
Energy: 0.5271236377898036
Energy: 0.5354289684485942
Energy: 0.5271236377891386
Energy: 0.5354289684485942
Energy: 0.5271236377891386
Energy: 0.5354289684485942
Energy: 0.5632539642009498
Energy: 0.507990506392316
Energy: 0.5632539642016147
Energy: 0.507990506392316
Energy: 0.5632539642009498
Energy: 0.507990506392316
Energy: 0.5113332528251571
Energy: 0.570149321160781
Energy: 0.5113332528251571
Energy: 0.570149321161446
Energy: 0.5113332528251571
Energy: 0.570149321161446
Energy: 0.536989776830133
Energy: 0.5309468616045998
Energy: 0.5369897768288032
Energy: 0.5309468616045998
Energy: 0.5369897768294682
Energy: 0.5309468616045998
Energy: 0.5630593368333905
Energy: 0.5215759334092888
Energy: 0.5630593368333905
Energy: 0.5215759334092888
Energy: 0.5365504970165811
Energy: 0.5215759334092888
Energy: 0.5191765907680617
Energy: 0.5617534420275339
Energy: 0.5191765907680617
Energy: 0.5617534420281988
Energy: 0.5191765907687267
Energy: 0.5617534420275339
Energy: 0.5571438088190741
Energy: 0.5589926577076321
Energy: 0.5571438088197389
Energy: 0.558992657706967
Energy: 0.5571438088184091
Energy: 0.558992657706967
Energy: 0.5904754510957128
Energy: 0.5083596354239096
Energy: 0.5904754510957128
Energy: 0.5083596354245745
Energy: 0.590475451095048
Energy: 0.5083596354239096
Energy: 0.510647319495964
Energy: 0.533036078725485
Energy: 0.510647319495964
Energy: 0.533036078725485
Energy: 0.5106473194952991
Energy: 0.533036078725485
Energy: 0.5468596557866893
Energy: 0.5456099512074898
Energy: 0.5468596557866893
Energy: 0.5456099512074898
Energy: 0.5468596557866893
Energy: 0.5456099512074898
Energy: 0.5648014125584736
Energy: 0.5077008191234526
Energy: 0.5648014125584736
Energy: 0.5077008191234526
Energy: 0.5648014125584736
Energy: 0.5077008191234526

minimum gb energy = 0.5037548713403905 eV
minimum distance =  2.60873216915363 Angstroms
sigma value = 27


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

Energy: 0.4937398433696221
Energy: 0.5306182697710244
Energy: 0.4937398433696221
Energy: 0.5306182697704641
Energy: 0.49373984337018256
Energy: 0.5306182697704641
Energy: 0.5059995176601532
Energy: 0.523355164075223
Energy: 0.5059995176595926
Energy: 0.5233551640746625
Energy: 0.5059995176601532
Energy: 0.523355164075223
Energy: 0.5360761016297302
Energy: 0.48374674656460026
Energy: 0.5360761016302906
Energy: 0.48374674656460026
Energy: 0.5360761016297302
Energy: 0.4837467465651608
Energy: 0.4639802093403714
Energy: 0.4854308230581121
Energy: 0.4639802093403714
Energy: 0.4854308230581121
Energy: 0.4639802093403714
Energy: 0.4854308230586726
Energy: 0.49326308358924986
Energy: 0.5299086426268493
Energy: 0.4932630835898103
Energy: 0.5299086426262889
Energy: 0.49326308358868937
Energy: 0.5299086426268493
Energy: 0.5107819249881761
Energy: 0.4662983563526889
Energy: 0.5107819249870551
Energy: 0.4662983563526889
Energy: 0.5107819249876155
Energy: 0.4662983563526889
Energy: 0.48115770861218676
Energy: 0.5354277315593137
Energy: 0.48115770861218676
Energy: 0.5354277315593137
Energy: 0.48115770861218676
Energy: 0.5354277315598741
Energy: 0.5028750090609931
Energy: 0.534482251118466
Energy: 0.5028750090609931
Energy: 0.534482251118466
Energy: 0.5028750090609931
Energy: 0.534482251118466
Energy: 0.532437051561573
Energy: 0.46624544061803186
Energy: 0.532437051561573
Energy: 0.46624544061803186
Energy: 0.532437051561573
Energy: 0.46624544061803186
Energy: 0.4638787142439836
Energy: 0.5368146741560672
Energy: 0.463878714244544
Energy: 0.5368146741560672
Energy: 0.4638787142439836
Energy: 0.5368146741560672
Energy: 0.46404909410551637
Energy: 0.5455174374451245
Energy: 0.46404909410607686
Energy: 0.5455174374451245
Energy: 0.46404909410551637
Energy: 0.5455174374451245
Energy: 0.5322437376531534
Energy: 0.48062023250693636
Energy: 0.5322437376514719
Energy: 0.48062023250693636
Energy: 0.5322437376525929
Energy: 0.48062023250693636
Energy: 0.5103660703128187
Energy: 0.5029540678389149
Energy: 0.5103660703128187
Energy: 0.5029540678383545
Energy: 0.5103660703128187
Energy: 0.5029540678389149
Energy: 0.46398147483386437
Energy: 0.534395949297241
Energy: 0.4639814748344248
Energy: 0.534395949297241
Energy: 0.4639814748344248
Energy: 0.534395949297241
Energy: 0.5100143923106405
Energy: 0.46639605358032304
Energy: 0.5100143923106405
Energy: 0.46639605358032304
Energy: 0.510014392311201
Energy: 0.46639605358032304
Energy: 0.4930258398063563
Energy: 0.49174222761619735
Energy: 0.49302583980579584
Energy: 0.4917422276156368
Energy: 0.4930258398063563
Energy: 0.49174222761619735
Energy: 0.4806316826037385
Energy: 0.5300838714567472
Energy: 0.4806316826037385
Energy: 0.5300838714567472
Energy: 0.48063168260317796
Energy: 0.5300838714567472
Energy: 0.5022076302110928
Energy: 0.4828416605390345
Energy: 0.5022076302116533
Energy: 0.4828416605390345
Energy: 0.5022076302116533
Energy: 0.482841660539595
Energy: 0.5032339826684076
Energy: 0.5038957001073117
Energy: 0.5032339826678471
Energy: 0.5038957001073117
Energy: 0.5032339826678471
Energy: 0.5038957001073117
Energy: 0.4937398433696221
Energy: 0.5306182697704641
Energy: 0.49373984337018256
Energy: 0.5306182697704641
Energy: 0.4937398433690617
Energy: 0.5306182697704641
Energy: 0.5059995176618347
Energy: 0.523355164076344
Energy: 0.5059995176612742
Energy: 0.523355164076344
Energy: 0.5059995176618347
Energy: 0.523355164076344
Energy: 0.5360761016291696
Energy: 0.48374674656460026
Energy: 0.5360761016291696
Energy: 0.48374674656460026
Energy: 0.5360761016291696
Energy: 0.48374674656460026
Energy: 0.4639802093392504
Energy: 0.4854308230597935
Energy: 0.46398020933868983
Energy: 0.485430823059233
Energy: 0.4639802093392504
Energy: 0.485430823059233
Energy: 0.49326308358812887
Energy: 0.5299086426279702
Energy: 0.49326308358868937
Energy: 0.5299086426279702
Energy: 0.49326308358812887
Energy: 0.5299086426279702
Energy: 0.5107819249876155
Energy: 0.46629835635100747
Energy: 0.5107819249876155
Energy: 0.46629835635100747
Energy: 0.5107819249876155
Energy: 0.46629835635100747

minimum gb energy = 0.4638787142439836 eV
minimum distance =  2.63967009465129 Angstroms
sigma value = 19


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

Energy: 0.47039245916093547
Energy: 0.5783708756571464
Energy: 0.470392459161903
Energy: 0.5783708756571464
Energy: 0.47039245916141925
Energy: 0.5783708756571464
Energy: 0.5292329353133993
Energy: 0.4865573421184724
Energy: 0.5292329353148507
Energy: 0.4865573421175049
Energy: 0.5292329353167858
Energy: 0.4865573421179887
Energy: 0.5741181582329392
Energy: 0.45842764963562804
Energy: 0.5741181582324554
Energy: 0.45842764963562804
Energy: 0.5741181582324554
Energy: 0.45842764963562804
Energy: 0.4560245237913091
Energy: 0.5549312980094202
Energy: 0.4560245237913091
Energy: 0.5549312980094202
Energy: 0.4560245237913091
Energy: 0.5549312980094202
Energy: 0.505509751002489
Energy: 0.5294885796000897
Energy: 0.5055097510029727
Energy: 0.5294885796000897
Energy: 0.505509751002489
Energy: 0.5294885796000897
Energy: 0.5572796133718911
Energy: 0.45677397009150433
Energy: 0.5572796133718911
Energy: 0.45677397009150433
Energy: 0.5572796133718911
Energy: 0.45677397009150433
Energy: 0.4589242295600126
Energy: 0.5586902868765502
Energy: 0.45892422956194767
Energy: 0.5586902868784854
Energy: 0.45892422955904494
Energy: 0.5586902868760664
Energy: 0.4827915680421088
Energy: 0.5686827544673542
Energy: 0.4827915680421088
Energy: 0.5686827544673542
Energy: 0.4827915680421088
Energy: 0.5686827544683217
Energy: 0.5768715298694301
Energy: 0.44877332832350253
Energy: 0.5768715298689465
Energy: 0.44877332832350253
Energy: 0.5768715298694301
Energy: 0.44877332832350253
Energy: 0.45946871028769665
Energy: 0.5207897542043562
Energy: 0.45946871028721287
Energy: 0.5207897542043562
Energy: 0.45946871028624525
Energy: 0.5207897542043562
Energy: 0.451876964947223
Energy: 0.6120934567405578
Energy: 0.45187696494673923
Energy: 0.6120934567405578
Energy: 0.451876964947223
Energy: 0.6120934567405578
Energy: 0.5272999938030228
Energy: 0.459398060797254
Energy: 0.5272999938030228
Energy: 0.459398060797254
Energy: 0.5272999938020553
Energy: 0.45939806079773776
Energy: 0.5078219418903623
Energy: 0.4729451332939255
Energy: 0.5078219418898786
Energy: 0.4729451332934417
Energy: 0.5078219418898786
Energy: 0.47294513329247406
Energy: 0.4557105315284864
Energy: 0.5539696365373293
Energy: 0.4557105315284864
Energy: 0.5539696365373293
Energy: 0.4557105315289702
Energy: 0.5539696365368455
Energy: 0.5206795201010689
Energy: 0.45264579166800506
Energy: 0.5206795201010689
Energy: 0.45264579166800506
Energy: 0.5206795201005852
Energy: 0.4526457916689726
Energy: 0.6089805798683886
Energy: 0.4489177117426758
Energy: 0.6089805798683886
Energy: 0.4489177117426758
Energy: 0.6089805798683886
Energy: 0.4489177117426758
Energy: 0.46104412549882084
Energy: 0.5337901155232515
Energy: 0.46104412549882084
Energy: 0.5337901155232515
Energy: 0.46104412549882084
Energy: 0.533790115522284
Energy: 0.5093987542164098
Energy: 0.4648493592201386
Energy: 0.5093987542164098
Energy: 0.46484935922110615
Energy: 0.5093987542164098
Energy: 0.4648493592186872
Energy: 0.563326426414703
Energy: 0.4562686170077768
Energy: 0.563326426414703
Energy: 0.4562686170077768
Energy: 0.5633264264151868
Energy: 0.4562686170077768
Energy: 0.4608485383271987
Energy: 0.5338894335674451
Energy: 0.46084853832816625
Energy: 0.5338894335674451
Energy: 0.46084853832768247
Energy: 0.5338894335674451
Energy: 0.45386028353937197
Energy: 0.6079980309979928
Energy: 0.45386028353840435
Energy: 0.607998030997509
Energy: 0.45386028353937197
Energy: 0.607998030997509
Energy: 0.5796674287727425
Energy: 0.4581568319546169
Energy: 0.5796674287741939
Energy: 0.4581568319546169
Energy: 0.5796674287717749
Energy: 0.4581568319546169
Energy: 0.4712590934526869
Energy: 0.4887075628571737
Energy: 0.4712590934536544
Energy: 0.4887075628571737
Energy: 0.4712590934522031
Energy: 0.4887075628571737
Energy: 0.47083088654462424
Energy: 0.5875882077191832
Energy: 0.47083088654462424
Energy: 0.5875882077191832
Energy: 0.47083088654462424
Energy: 0.587588207719667
Energy: 0.5266083584365414
Energy: 0.45828810037816886
Energy: 0.5266083584370252
Energy: 0.45828810037816886
Energy: 0.5266083584365414
Energy: 0.45828810037816886
Energy: 0.5186839167652455
Energy: 0.4631914883194586
Energy: 0.5186839167652455
Energy: 0.4631914883194586
Energy: 0.5186839167657293
Energy: 0.4631914883194586
Energy: 0.4502868629654792
Energy: 0.5467003612130724
Energy: 0.4502868629654792
Energy: 0.5467003612135563
Energy: 0.4502868629654792
Energy: 0.5467003612135563
Energy: 0.5269366560956682
Energy: 0.4563531892768694
Energy: 0.5269366560951845
Energy: 0.4563531892773532
Energy: 0.526936656096152
Energy: 0.4563531892768694
Energy: 0.5430179297449811
Energy: 0.4562236061227401
Energy: 0.5430179297449811
Energy: 0.4562236061222563
Energy: 0.5430179297449811
Energy: 0.4562236061227401

minimum gb energy = 0.44877332832350253 eV
minimum distance =  2.62149834707272 Angstroms
sigma value = 101


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

Energy: 0.4476969112877325
Energy: 0.569664408592934
Energy: 0.4476969112877325
Energy: 0.569664408592934
Energy: 0.4476969112877325
Energy: 0.569664408592934
Energy: 0.565450536404184
Energy: 0.45402941571401295
Energy: 0.565450536404184
Energy: 0.45402941571401295
Energy: 0.565450536404184
Energy: 0.45402941571401295
Energy: 0.5544797162408398
Energy: 0.4354259848293537
Energy: 0.5544797162416903
Energy: 0.4354259848297789
Energy: 0.554479716241265
Energy: 0.4354259848293537
Energy: 0.4297098237969097
Energy: 0.6048368738693791
Energy: 0.4297098237969097
Energy: 0.6048368738693791
Energy: 0.4297098237964845
Energy: 0.6048368738693791
Energy: 0.43540817906976464
Energy: 0.511697637630878
Energy: 0.43540817906976464
Energy: 0.5116976376304528
Energy: 0.43540817906976464
Energy: 0.511697637630878
Energy: 0.553782074861538
Energy: 0.42998838557936664
Energy: 0.553782074861538
Energy: 0.42998838557936664
Energy: 0.5537820748611125
Energy: 0.42998838557936664
Energy: 0.438909705647002
Energy: 0.44636370314647644
Energy: 0.43890970564657666
Energy: 0.44636370314605106
Energy: 0.43890970564657666
Energy: 0.44636370314605106
Energy: 0.43060938836855056
Energy: 0.550904465764503
Energy: 0.4306093883689759
Energy: 0.5509044657636525
Energy: 0.43060938836855056
Energy: 0.550904465764503
Energy: 0.5541918884435776
Energy: 0.4309468954457932
Energy: 0.5541918884435776
Energy: 0.4309468954457932
Energy: 0.5541918884435776
Energy: 0.4309468954457932
Energy: 0.4395143945832294
Energy: 0.4682575073587368
Energy: 0.4395143945836546
Energy: 0.4682575073587368
Energy: 0.439514394582804
Energy: 0.4682575073591621
Energy: 0.4286365099358609
Energy: 0.6124823452066308
Energy: 0.4286365099358609
Energy: 0.6124823452066308
Energy: 0.4286365099354356
Energy: 0.6124823452066308
Energy: 0.5561079525660574
Energy: 0.4548307074247302
Energy: 0.5561079525664827
Energy: 0.45483070742430487
Energy: 0.5561079525669079
Energy: 0.4548307074247302
Energy: 0.5683799013660809
Energy: 0.4354657111984803
Energy: 0.5683799013660809
Energy: 0.4354657111984803
Energy: 0.5683799013669315
Energy: 0.43546571119890565
Energy: 0.45044325059851437
Energy: 0.6069502109545504
Energy: 0.45044325059893964
Energy: 0.6069502109545504
Energy: 0.45044325059936496
Energy: 0.6069502109545504
Energy: 0.44802714303109475
Energy: 0.45025662025024427
Energy: 0.4480271430306695
Energy: 0.4502566202498189
Energy: 0.4480271430315201
Energy: 0.4502566202498189
Energy: 0.5117820984791873
Energy: 0.4368292492056289
Energy: 0.5117820984800379
Energy: 0.4368292492056289
Energy: 0.5117820984804632
Energy: 0.4368292492056289
Energy: 0.4289260080599557
Energy: 0.6535520121198477
Energy: 0.4289260080595304
Energy: 0.6535520121194225
Energy: 0.4289260080599557
Energy: 0.6535520121194225
Energy: 0.4267677515223067
Energy: 0.5111468755910323
Energy: 0.42676775152145613
Energy: 0.5111468755914578
Energy: 0.4267677515223067
Energy: 0.5111468755910323
Energy: 0.5532540904377746
Energy: 0.43109225764589326
Energy: 0.5532540904373686
Energy: 0.43109225764589326
Energy: 0.5532540904373686
Energy: 0.43109225764589326
Energy: 0.4529495709869669
Energy: 0.4575902594980679
Energy: 0.45294957098824273
Energy: 0.4575902594980679
Energy: 0.4529495709873922
Energy: 0.4575902594980679
Energy: 0.43598965121823174
Energy: 0.6360291117961793
Energy: 0.43598965121823174
Energy: 0.6360291117966046
Energy: 0.43598965121823174
Energy: 0.6360291117966046
Energy: 0.6310815136006074
Energy: 0.4303261222433151
Energy: 0.6310815136010327
Energy: 0.43032612224288985
Energy: 0.6310815136010327
Energy: 0.4303261222433151
Energy: 0.5125658785179201
Energy: 0.43027813484945865
Energy: 0.5125658785149431
Energy: 0.43027813484945865
Energy: 0.5125658785174948
Energy: 0.43027813484945865
Energy: 0.4297380404935464
Energy: 0.5563490313356244
Energy: 0.42973804049269587
Energy: 0.5563490313356244
Energy: 0.42973804049269587
Energy: 0.5563490313356244
Energy: 0.4912402015351083
Energy: 0.4490930903993852
Energy: 0.49124020153468295
Energy: 0.4490930903993852
Energy: 0.4912402015351083
Energy: 0.4490930903993852
Energy: 0.5701145781131218
Energy: 0.43695168075304863
Energy: 0.5701145781122906
Energy: 0.4369516807534739
Energy: 0.5701145781122906
Energy: 0.43695168075304863
Energy: 0.4477791345020145
Energy: 0.5235727551269799
Energy: 0.4477791345024398
Energy: 0.5235727551274052
Energy: 0.4477791345020145
Energy: 0.5235727551274052
Energy: 0.4479213283187414
Energy: 0.4531433007796939
Energy: 0.4479213283191667
Energy: 0.4531433007779927
Energy: 0.4479213283183161
Energy: 0.4531433007767169
Energy: 0.5564531120693419
Energy: 0.4354724999141972
Energy: 0.5564531120697671
Energy: 0.4354724999141972
Energy: 0.5564531120689165
Energy: 0.4354724999141972
Energy: 0.42638273490480877
Energy: 0.4522597868851338
Energy: 0.42638273490523404
Energy: 0.45225978688598445
Energy: 0.4263827349043835
Energy: 0.45225978688598445
Energy: 0.4289166048434689
Energy: 0.5618012837617159
Energy: 0.4289166048434689
Energy: 0.5618012837617159
Energy: 0.4289166048430436
Energy: 0.5618012837617159
Energy: 0.5901150875302361
Energy: 0.43040006931994473
Energy: 0.5901150875302361
Energy: 0.43040006931951946
Energy: 0.5901150875302361
Energy: 0.43040006931951946
Energy: 0.5225244167877685
Energy: 0.4302775829524977
Energy: 0.5225244167877685
Energy: 0.4302775829524977
Energy: 0.5225244167877685
Energy: 0.4302775829529229

minimum gb energy = 0.4263827349043835 eV
minimum distance =  2.63407808038327 Angstroms
sigma value = 33


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

Energy: 0.01170548154976757
Energy: 0.5873291919995165
Energy: 0.01170548154976757
Energy: 0.5873291919991828
Energy: 0.01170548154976757
Energy: 0.5873291919991828
Energy: 0.013305341909942828
Energy: 0.19919439891139906
Energy: 0.013305341909942828
Energy: 0.1991943989117328
Energy: 0.013305341909942828
Energy: 0.19919439891139906
Energy: 0.5873429799362856
Energy: 0.2002437618305795
Energy: 0.587343665115985
Energy: 0.2002437618305795
Energy: 0.5873435912920938
Energy: 0.20024376183197326
Energy: 0.013305341910629905
Energy: 0.19919439891139906
Energy: 0.013305341910629905
Energy: 0.1991943989117328
Energy: 0.013305341910629905
Energy: 0.19919439891139906

minimum gb energy = 0.01170548154976757 eV
minimum distance =  2.83998505034636 Angstroms
sigma value = 1