Model name: model_name=EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_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=4.0499994456768045
cohesive_energy=3.299025747576126
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: -0.061233718112 eV

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

Energy: 0.010166670773180609
Energy: 0.29751933721006907
Energy: 0.010166670773180609
Energy: 0.2975193372103189
Energy: 0.01016667077293075
Energy: 0.29751933721006907
Energy: 0.2975193372103189
Energy: 0.46348760621057566
Energy: 0.29751933721006907
Energy: 0.4634876062103258
Energy: 0.2975193372103189
Energy: 0.4634876062108255
Energy: 0.010166670773180609
Energy: 0.29751933721006907
Energy: 0.010166670773180609
Energy: 0.29751933721006907
Energy: 0.010166670773180609
Energy: 0.29751933721006907
Energy: 0.29751933721006907
Energy: 0.46348760621057566
Energy: 0.2975193372103189
Energy: 0.4634876062098538
Energy: 0.2975193372103189
Energy: 0.4634876062103258
Energy: 0.010166670773180609
Energy: 0.2975193372103189
Energy: 0.010166670773180609
Energy: 0.2975193372103189
Energy: 0.010166670773180609
Energy: 0.29751933721006907
Energy: 0.29751933721006907
Energy: 0.46348760621057566
Energy: 0.29751933721006907
Energy: 0.4634876062091043
Energy: 0.2975193372103189
Energy: 0.4634876062108255

minimum gb energy = 0.01016667077293075 eV
minimum distance =  2.53743413327444 Angstroms
sigma value = 1


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

Energy: 0.49239500557597704
Energy: 0.45369803365473704
Energy: 0.49239500557597704
Energy: 0.4536980336553385
Energy: 0.4923950055753756
Energy: 0.4536980336553385
Energy: 0.5001593678376042
Energy: 0.43982086485833566
Energy: 0.5001593678370027
Energy: 0.43982086485833566
Energy: 0.5001593678370027
Energy: 0.43982086485833566
Energy: 0.47097319702009505
Energy: 0.48898552393319994
Energy: 0.47097319702009505
Energy: 0.48898552393319994
Energy: 0.47097319702009505
Energy: 0.48898552393380135
Energy: 0.5306636904056573
Energy: 0.445097106516494
Energy: 0.5306636904062587
Energy: 0.445097106516494
Energy: 0.5306636904062587
Energy: 0.4450971065170954
Energy: 0.46726725805106517
Energy: 0.5080489482538717
Energy: 0.4672672580516666
Energy: 0.5080489482538717
Energy: 0.46726725805106517
Energy: 0.5080489482544731
Energy: 0.4933775442013706
Energy: 0.4437233581707385
Energy: 0.4933775442013706
Energy: 0.4437233581707385
Energy: 0.493377544201972
Energy: 0.4437233581707385
Energy: 0.4474698374988718
Energy: 0.4899504121801477
Energy: 0.4474698374988718
Energy: 0.4899504121801477
Energy: 0.4474698374988718
Energy: 0.4899504121801477
Energy: 0.45628523200847154
Energy: 0.5147995174877733
Energy: 0.45628523200847154
Energy: 0.5147995174877733
Energy: 0.4562852320078701
Energy: 0.5147995174877733
Energy: 0.49598058311185866
Energy: 0.4862995182858931
Energy: 0.4959805831112573
Energy: 0.4862995182858931
Energy: 0.49598058311185866
Energy: 0.48629951828529155
Energy: 0.431106666946747
Energy: 0.5070827091397124
Energy: 0.43110666694794986
Energy: 0.5070827091397124
Energy: 0.4311066669473485
Energy: 0.5070827091397124
Energy: 0.4975781427401681
Energy: 0.43512100925491204
Energy: 0.4975781427401681
Energy: 0.43512100925491204
Energy: 0.49757814274076956
Energy: 0.43512100925491204
Energy: 0.42115137523266283
Energy: 0.5547761527555558
Energy: 0.42115137523266283
Energy: 0.5547761527555558
Energy: 0.42115137523266283
Energy: 0.5547761527561572
Energy: 0.5031851333440199
Energy: 0.42427077117437734
Energy: 0.503185133342817
Energy: 0.42427077117497886
Energy: 0.5031851333440199
Energy: 0.42427077117497886
Energy: 0.4456334538076595
Energy: 0.46219772182973035
Energy: 0.4456334538064566
Energy: 0.46219772183033175
Energy: 0.4456334538076595
Energy: 0.46219772183033175
Energy: 0.5287685865061776
Energy: 0.43057359048558225
Energy: 0.5287685865067792
Energy: 0.43057359048618365
Energy: 0.5287685865067792
Energy: 0.43057359048618365
Energy: 0.5220963929127098
Energy: 0.48723028555110004
Energy: 0.5220963929121085
Energy: 0.48723028555110004
Energy: 0.5220963929115069
Energy: 0.48723028555110004
Energy: 0.47382467894585273
Energy: 0.475305854646036
Energy: 0.4738246789464542
Energy: 0.475305854646036
Energy: 0.47382467894585273
Energy: 0.475305854646036
Energy: 0.4813815106422279
Energy: 0.4560061555933674
Energy: 0.48138151064343077
Energy: 0.4560061555933674
Energy: 0.48138151064282936
Energy: 0.4560061555933674
Energy: 0.4614045817993099
Energy: 0.45140245867280776
Energy: 0.4614045817993099
Energy: 0.4514024586734093
Energy: 0.4614045817993099
Energy: 0.4514024586734093
Energy: 0.4907369334386655
Energy: 0.4437315623181791
Energy: 0.49073693343926694
Energy: 0.4437315623181791
Energy: 0.4907369334386655
Energy: 0.4437315623187805
Energy: 0.4417147428449481
Energy: 0.5696410392814012
Energy: 0.44171474284374523
Energy: 0.5696410392814012
Energy: 0.44171474284434664
Energy: 0.5696410392814012
Energy: 0.4829564656472204
Energy: 0.4812520555539571
Energy: 0.48295646564661887
Energy: 0.4812520555539571
Energy: 0.4829564656472204
Energy: 0.4812520555539571
Energy: 0.43465004242238675
Energy: 0.49913158668035873
Energy: 0.43465004242238675
Energy: 0.49913158668096014
Energy: 0.43465004242238675
Energy: 0.49913158668035873

minimum gb energy = 0.42115137523266283 eV
minimum distance =  2.66050475779439 Angstroms
sigma value = 33


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

Energy: 0.49504955972771514
Energy: 0.5007427484013739
Energy: 0.4749785951761288
Energy: 0.500742748401716
Energy: 0.49504955972771514
Energy: 0.500742748401716
Energy: 0.4927229871245241
Energy: 0.44635860018571744
Energy: 0.4927229871234978
Energy: 0.44635860018571744
Energy: 0.4927229871245241
Energy: 0.4463586001816123
Energy: 0.4324251756965781
Energy: 0.44984204406215866
Energy: 0.43242517569349925
Energy: 0.44984204406284295
Energy: 0.4324251756965781
Energy: 0.44984204406215866
Energy: 0.5154119862374535
Energy: 0.485897325509536
Energy: 0.5154119862374535
Energy: 0.48589732550919396
Energy: 0.5154119862371115
Energy: 0.48589732550679926
Energy: 0.4729738116208683
Energy: 0.4739289403442264
Energy: 0.4729738116205262
Energy: 0.4739289403442264
Energy: 0.4729738116208683
Energy: 0.4739289403435422
Energy: 0.44714636975275884
Energy: 0.4296079810222093
Energy: 0.44714636975275884
Energy: 0.4296079810222093
Energy: 0.4471463697513905
Energy: 0.42960798102528813
Energy: 0.4987698326390122
Energy: 0.4849858694982619
Energy: 0.4987698326410648
Energy: 0.48498586949791983
Energy: 0.49876983263935426
Energy: 0.4849858694968936
Energy: 0.41563045003195925
Energy: 0.5211001245371859
Energy: 0.4156304500285382
Energy: 0.5211001245371859
Energy: 0.41563045003230137
Energy: 0.5211001245382121
Energy: 0.43513048388222886
Energy: 0.42902372308135134
Energy: 0.4351304838812025
Energy: 0.42902372308135134
Energy: 0.43513048388222886
Energy: 0.42902372308032505
Energy: 0.44355440528496215
Energy: 0.532066086073761
Energy: 0.4435542444411934
Energy: 0.532066086073761
Energy: 0.44355440528496215
Energy: 0.5320660860751293
Energy: 0.5154040248893477
Energy: 0.43649293270679834
Energy: 0.5154040248872951
Energy: 0.43649293270679834
Energy: 0.5154040248890056
Energy: 0.4364929327150087
Energy: 0.4275217800140022
Energy: 0.45718780586222235
Energy: 0.42752219465073327
Energy: 0.45718780586222235
Energy: 0.4275217800140022
Energy: 0.4571878058581172
Energy: 0.48466978748942485
Energy: 0.4325015095856043
Energy: 0.4846697874925037
Energy: 0.43250150958594635
Energy: 0.48466978748942485
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Energy: 0.48385345637074334
Energy: 0.5001311536737704
Energy: 0.483853456369717
Energy: 0.5001311536727442
Energy: 0.48385345637074334
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Energy: 0.4941337578006108
Energy: 0.465541491430242
Energy: 0.4941337577965056
Energy: 0.46554149143058404
Energy: 0.4941337578002687
Energy: 0.46554149143161033
Energy: 0.42950736259529154
Energy: 0.4510430995573001
Energy: 0.4295073625959758
Energy: 0.4510430995573001
Energy: 0.4295073625956337
Energy: 0.45104309955627375
Energy: 0.5222553455416666
Energy: 0.48517403311643675
Energy: 0.5222553455368772
Energy: 0.485174033117121
Energy: 0.5222553455416666
Energy: 0.4851740331181473
Energy: 0.4733045510741017
Energy: 0.42756197789439854
Energy: 0.4733045510734175
Energy: 0.42756197789439854
Energy: 0.47330455107444375
Energy: 0.42756197789439854
Energy: 0.4486601275024281
Energy: 0.46039493088294864
Energy: 0.4486601275007177
Energy: 0.46039493088294864
Energy: 0.44866012750208606
Energy: 0.46039493088705374
Energy: 0.5001077591466888
Energy: 0.4751230819702769
Energy: 0.5001077591460046
Energy: 0.475123081970619
Energy: 0.5001077591466888
Energy: 0.4751230819702769
Energy: 0.41622991955932476
Energy: 0.5039252818222784
Energy: 0.41622991956377203
Energy: 0.5039252818222784
Energy: 0.41622991955932476
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Energy: 0.48519803244921883
Energy: 0.4291467372806082
Energy: 0.4851980324475083
Energy: 0.4291467372809504
Energy: 0.48519803244887666
Energy: 0.42914673728026614
Energy: 0.43798433778908613
Energy: 0.5314837723954383
Energy: 0.4379659957816252
Energy: 0.5314837723954383
Energy: 0.43798433778942825
Energy: 0.5314837723933857
Energy: 0.5126099022636571
Energy: 0.47419310731993825
Energy: 0.5126099022612624
Energy: 0.4741931073202804
Energy: 0.5126099022639992
Energy: 0.4741931073206225
Energy: 0.43171657363066596
Energy: 0.44793172133231085
Energy: 0.4323133405018092
Energy: 0.4479317213302582
Energy: 0.431716573631008
Energy: 0.4479317213309424
Energy: 0.5245565723792002
Energy: 0.4975552430555855
Energy: 0.5010502694263599
Energy: 0.4975552430555855
Energy: 0.5245565723792002
Energy: 0.4975552430531908
Energy: 0.5188695863344025
Energy: 0.49485873095326655
Energy: 0.500862028836348
Energy: 0.49485873095121397
Energy: 0.5188695863344025
Energy: 0.49485873095360866
Energy: 0.42753814268429097
Energy: 0.44536361479517955
Energy: 0.427538142684633
Energy: 0.44536361479517955
Energy: 0.42753814268394885
Energy: 0.44536361479312697
Energy: 0.5308497274031581
Energy: 0.4508746298898653
Energy: 0.530849727402816
Energy: 0.4508746298902074
Energy: 0.530849727402816
Energy: 0.45087462988747057
Energy: 0.4378296707120401
Energy: 0.5134433269002975
Energy: 0.4378296707079349
Energy: 0.5134433268996131
Energy: 0.4378296707120401
Energy: 0.5134433269006395
Energy: 0.4726148810527782
Energy: 0.42901802887110985
Energy: 0.4726148810527782
Energy: 0.42901802887110985
Energy: 0.47261488105243615
Energy: 0.42901802887350454
Energy: 0.43222355236136534
Energy: 0.48387109736216277
Energy: 0.43222355236239157
Energy: 0.48387109736216277
Energy: 0.43222355236102317
Energy: 0.48387109736318906
Energy: 0.5016076280647056
Energy: 0.47508518554479284
Energy: 0.501607628062311
Energy: 0.47508518554479284
Energy: 0.5016076280647056
Energy: 0.4750851855430823
Energy: 0.4619309758098368
Energy: 0.4738438161950111
Energy: 0.4619309758132577
Energy: 0.4738438161950111
Energy: 0.4619309758098368
Energy: 0.473843816198432
Energy: 0.4502874018681316
Energy: 0.4296134172280889
Energy: 0.4502874018688157
Energy: 0.4296134172280889
Energy: 0.4502874018674474
Energy: 0.4296134172280889
Energy: 0.48534764503227856
Energy: 0.5154381636038271
Energy: 0.48534764503091016
Energy: 0.5154381636045113
Energy: 0.48534764503227856
Energy: 0.5154381636028009
Energy: 0.4278680324988152
Energy: 0.4743851830919112
Energy: 0.42786770767359594
Energy: 0.47438518309225325
Energy: 0.42786803249915734
Energy: 0.4743851830908848
Energy: 0.4617654794552229
Energy: 0.44727156841071614
Energy: 0.4617654794514598
Energy: 0.4472715684110582
Energy: 0.46176547945488083
Energy: 0.4472715684144791
Energy: 0.48359096926501155
Energy: 0.5009780289648038
Energy: 0.48359096926364326
Energy: 0.5009780289648038
Energy: 0.48359096926535367
Energy: 0.5009780289648038
Energy: 0.5188744945470636
Energy: 0.4168192000869764
Energy: 0.518874494545011
Energy: 0.4168192000873185
Energy: 0.5188744945470636
Energy: 0.41681920008800266
Energy: 0.42750109092731414
Energy: 0.4340089418058567
Energy: 0.4275010909259458
Energy: 0.4340089418055146
Energy: 0.42750109092731414
Energy: 0.43400894180106736

minimum gb energy = 0.4156304500285382 eV
minimum distance =  2.67401976577027 Angstroms
sigma value = 51


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

Energy: 0.4751794492099383
Energy: 0.4653291265156293
Energy: 0.4751794492099383
Energy: 0.4653291265156293
Energy: 0.4751794492099383
Energy: 0.4653291265156293
Energy: 0.4926348851660909
Energy: 0.44941250032060287
Energy: 0.49263488516688353
Energy: 0.44941250032060287
Energy: 0.4926348851660909
Energy: 0.44941250032060287
Energy: 0.4540758536229486
Energy: 0.5620631678277678
Energy: 0.4540758536229486
Energy: 0.5620631678277678
Energy: 0.4540758536229486
Energy: 0.5620631678277678
Energy: 0.47024568799841643
Energy: 0.41609991517419576
Energy: 0.47024568799841643
Energy: 0.41609991517340317
Energy: 0.47024568799841643
Energy: 0.41609991517419576
Energy: 0.4750756419909047
Energy: 0.4581677352500072
Energy: 0.4750756419916973
Energy: 0.45816773525079985
Energy: 0.4750756419916973
Energy: 0.45816773525079985
Energy: 0.4860878984230483
Energy: 0.45811808970911216
Energy: 0.48608789842148103
Energy: 0.45811808971149004
Energy: 0.4860878984222736
Energy: 0.45811808970911216
Energy: 0.4916707213382605
Energy: 0.46010145629701305
Energy: 0.4916707213382605
Energy: 0.46010145629701305
Energy: 0.4916707213382605
Energy: 0.46010145629701305
Energy: 0.4402435389217754
Energy: 0.4580397302261915
Energy: 0.44024353892098284
Energy: 0.4580397302254169
Energy: 0.4402435389225681
Energy: 0.4580397302246242
Energy: 0.5321573100520144
Energy: 0.4144500223679748
Energy: 0.5321573100520144
Energy: 0.41445002236718215
Energy: 0.5321573100512218
Energy: 0.41445002236718215
Energy: 0.42807776384506385
Energy: 0.5580564659404317
Energy: 0.42807776384506385
Energy: 0.5580564659404317
Energy: 0.42807776384506385
Energy: 0.5580564659396391
Energy: 0.5235141085697042
Energy: 0.42536436398142974
Energy: 0.5235141085697042
Energy: 0.4253643639822223
Energy: 0.5235141085697042
Energy: 0.4253643639822223
Energy: 0.4770744430413907
Energy: 0.46892025165504997
Energy: 0.47707444304218327
Energy: 0.46892025165504997
Energy: 0.4770744430413907
Energy: 0.46892025165584256
Energy: 0.5193195169856174
Energy: 0.4476399806884054
Energy: 0.5193195169856174
Energy: 0.4476399806884054
Energy: 0.5193195169856174
Energy: 0.4476399806884054
Energy: 0.45246237003172796
Energy: 0.44576492502382026
Energy: 0.45246237003172796
Energy: 0.44576492502461285
Energy: 0.45246237003172796
Energy: 0.44576492502382026
Energy: 0.4748267288726841
Energy: 0.47397760017149576
Energy: 0.4748267288726841
Energy: 0.47397760017149576
Energy: 0.4748267288726841
Energy: 0.47397760017149576
Energy: 0.49263385203640714
Energy: 0.4578397799483412
Energy: 0.49263385203719984
Energy: 0.4578397799483412
Energy: 0.49263385203640714
Energy: 0.45783977994754854
Energy: 0.4727199624524263
Energy: 0.5160568473483709
Energy: 0.47271996245321896
Energy: 0.5160568473483709
Energy: 0.4727199624524263
Energy: 0.5160568473483709
Energy: 0.465199612810489
Energy: 0.4580677402838405
Energy: 0.465199612810489
Energy: 0.4580677402838405
Energy: 0.465199612810489
Energy: 0.4580677402838405

minimum gb energy = 0.41445002236718215 eV
minimum distance =  2.54249770010346 Angstroms
sigma value = 19


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

Energy: 0.40685749827349416
Energy: 0.40643330705970476
Energy: 0.40685749827396434
Energy: 0.4064333070601535
Energy: 0.40685749827349416
Energy: 0.40643330706062375
Energy: 0.4390462724765682
Energy: 0.46249375242734714
Energy: 0.4390462724751577
Energy: 0.4624937524264068
Energy: 0.439046272476098
Energy: 0.46249375242593666
Energy: 0.38169455687546394
Energy: 0.46954271609106746
Energy: 0.3816945568749937
Energy: 0.46954271608824644
Energy: 0.3816945568740534
Energy: 0.46954271608824644
Energy: 0.4178680957764234
Energy: 0.3817245153610623
Energy: 0.4178680957759532
Energy: 0.38172451535918156
Energy: 0.4178680957754831
Energy: 0.38172451536012186
Energy: 0.3952367701573972
Energy: 0.40617620464816856
Energy: 0.3952367701583376
Energy: 0.4061762046486387
Energy: 0.3952367701564569
Energy: 0.40617620464910886
Energy: 0.3952041601429498
Energy: 0.40677723385519243
Energy: 0.3952041601420095
Energy: 0.40677723385613285
Energy: 0.3952041601415393
Energy: 0.40677723385613285
Energy: 0.4178737462453101
Energy: 0.38171334689609243
Energy: 0.41787374624483997
Energy: 0.38171334689703273
Energy: 0.4178737462453101
Energy: 0.3817133468942118
Energy: 0.3816789257250373
Energy: 0.4695191654129686
Energy: 0.38167892572691803
Energy: 0.46951916541108796
Energy: 0.38167892572691803
Energy: 0.46951916541249844
Energy: 0.43901442832527154
Energy: 0.46246925239076647
Energy: 0.4390144283248015
Energy: 0.46246925239029624
Energy: 0.4390144283266821
Energy: 0.46246925239029624
Energy: 0.40685749827349416
Energy: 0.40643330706062375
Energy: 0.406857498273024
Energy: 0.4064333070601535
Energy: 0.406857498273024
Energy: 0.4064333070601535
Energy: 0.4390462724779787
Energy: 0.46249375242734714
Energy: 0.4390462724770383
Energy: 0.46249375242593666
Energy: 0.4390462724770383
Energy: 0.46249375242734714
Energy: 0.3816945568749937
Energy: 0.46954271608824644
Energy: 0.3816945568740534
Energy: 0.4695427160896569
Energy: 0.38169455687452364
Energy: 0.46954271609106746
Energy: 0.41786809577689354
Energy: 0.38172451535918156
Energy: 0.41786809577783385
Energy: 0.38172451535965174
Energy: 0.4178680957764234
Energy: 0.38172451535824126
Energy: 0.3952367701573972
Energy: 0.4061762046476983
Energy: 0.3952367701564569
Energy: 0.4061762046486387
Energy: 0.3952367701597481
Energy: 0.4061762046486387
Energy: 0.39520416014341997
Energy: 0.40677723385472236
Energy: 0.39520416014341997
Energy: 0.40677723385613285
Energy: 0.3952041601415393
Energy: 0.40677723385613285
Energy: 0.4178737462457803
Energy: 0.38171334689515213
Energy: 0.4178737462453101
Energy: 0.38171334689515213
Energy: 0.4178737462457803
Energy: 0.38171334689515213
Energy: 0.38167892572644785
Energy: 0.46951916541249844
Energy: 0.38167892572550755
Energy: 0.46951916541202826
Energy: 0.3816789257250373
Energy: 0.46951916541155814
Energy: 0.4390144283266821
Energy: 0.46246925239076647
Energy: 0.43901442832856274
Energy: 0.46246925239076647
Energy: 0.43901442832809257
Energy: 0.46246925239029624
Energy: 0.40685749827349416
Energy: 0.4064333070601535
Energy: 0.40685749827349416
Energy: 0.4064333070601535
Energy: 0.406857498273024
Energy: 0.4064333070592346
Energy: 0.43904627247562783
Energy: 0.46249375242593666
Energy: 0.439046272476098
Energy: 0.46249375242593666
Energy: 0.4390462724775085
Energy: 0.4624937524264068
Energy: 0.38169455687546394
Energy: 0.4695427160887166
Energy: 0.3816945568735832
Energy: 0.4695427160887166
Energy: 0.3816945568740534
Energy: 0.46954271608824644
Energy: 0.41786809577783385
Energy: 0.3817245153610623
Energy: 0.4178680957764234
Energy: 0.3817245153587114
Energy: 0.41786809577689354
Energy: 0.38172451536012186
Energy: 0.3952367701573972
Energy: 0.4061762046495791
Energy: 0.3952367701555166
Energy: 0.4061762046486387
Energy: 0.3952367701555166
Energy: 0.40617620464910886
Energy: 0.39520416014436033
Energy: 0.40677723385660297
Energy: 0.3952041601457708
Energy: 0.40677723385660297
Energy: 0.39520416014389015
Energy: 0.40677723385707315
Energy: 0.4178737462457803
Energy: 0.38171334689609243
Energy: 0.4178737462457803
Energy: 0.38171334689327147
Energy: 0.4178737462453101
Energy: 0.38171334689515213
Energy: 0.38167892572550755
Energy: 0.4695191654129686
Energy: 0.3816789257250373
Energy: 0.46951916541108796
Energy: 0.38167892572550755
Energy: 0.4695191654106177
Energy: 0.4390144283257418
Energy: 0.46246925239076647
Energy: 0.4390144283299733
Energy: 0.46246925239029624
Energy: 0.43901442832339094
Energy: 0.46246925239076647
Energy: 0.4068574982725538
Energy: 0.40643330706062375
Energy: 0.40685749827396434
Energy: 0.40643330706062375
Energy: 0.4068574982725538
Energy: 0.4064333070601535
Energy: 0.4390462724751577
Energy: 0.4624937524278173
Energy: 0.439046272476098
Energy: 0.4624937524264068
Energy: 0.43904627247562783
Energy: 0.4624937524278173
Energy: 0.38169455687640425
Energy: 0.46954271608918674
Energy: 0.3816945568735832
Energy: 0.4695427160887166
Energy: 0.38169455687546394
Energy: 0.4695427160887166

minimum gb energy = 0.3816789257250373 eV
minimum distance =  2.55982970618433 Angstroms
sigma value = 27


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

Energy: 0.38467031713415173
Energy: 0.3717392484053338
Energy: 0.38467031713415173
Energy: 0.3717392484053338
Energy: 0.38467031713415173
Energy: 0.3717392484053338
Energy: 0.4736395984019142
Energy: 0.3961635854617175
Energy: 0.4736395984019142
Energy: 0.3961635854617175
Energy: 0.4736395984019142
Energy: 0.39616358546056585
Energy: 0.40191587324645645
Energy: 0.45061243701784753
Energy: 0.40191587324645645
Energy: 0.45061243701784753
Energy: 0.4019158732476081
Energy: 0.45061243701669584
Energy: 0.4511253251217041
Energy: 0.3736674273089805
Energy: 0.4511253251217041
Energy: 0.3736674273089805
Energy: 0.4511253251217041
Energy: 0.3736674273089805
Energy: 0.46557776902334314
Energy: 0.3694264588310816
Energy: 0.46557776902334314
Energy: 0.36942645882992997
Energy: 0.46557776902334314
Energy: 0.36942645882992997
Energy: 0.4475825360722051
Energy: 0.47671055412489854
Energy: 0.4475825360722051
Energy: 0.47671055412489854
Energy: 0.4475825360722051
Energy: 0.47671055412489854
Energy: 0.3762815630583227
Energy: 0.396229803574858
Energy: 0.3762815630571709
Energy: 0.396229803574858
Energy: 0.4253083676002107
Energy: 0.396229803574858
Energy: 0.38567604708665115
Energy: 0.37396960991993217
Energy: 0.38567604708665115
Energy: 0.37396960992105766
Energy: 0.38567604708665115
Energy: 0.37396960991993217
Energy: 0.4144022653993145
Energy: 0.4021753240037533
Energy: 0.4144022653993145
Energy: 0.4021753240037533
Energy: 0.41440226540046626
Energy: 0.4021753240037533
Energy: 0.4467589680021683
Energy: 0.44011471007708375
Energy: 0.44675896800101655
Energy: 0.44011471007708375
Energy: 0.4467589680021683
Energy: 0.44011471007708375
Energy: 0.4816873490534043
Energy: 0.36802399531271324
Energy: 0.48168734905455596
Energy: 0.36802399531271324
Energy: 0.5093378818676075
Energy: 0.36802399531271324
Energy: 0.46784277795842344
Energy: 0.41352705935934775
Energy: 0.46784277795842344
Energy: 0.4135270593604994
Energy: 0.46784277795842344
Energy: 0.4135270593604994

minimum gb energy = 0.36802399531271324 eV
minimum distance =  2.52094867335903 Angstroms
sigma value = 9


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

Energy: 0.39054025795283775
Energy: 0.3926495848897021
Energy: 0.3905402579538086
Energy: 0.39264958488937857
Energy: 0.3905402579538086
Energy: 0.3926495848900257
Energy: 0.5127195153859431
Energy: 0.3792500515664784
Energy: 0.5127195153852958
Energy: 0.3918348568769272
Energy: 0.5127195153852958
Energy: 0.37725824510013933
Energy: 0.3528419453299845
Energy: 0.5145134999654317
Energy: 0.35284194532966096
Energy: 0.5145134999654317
Energy: 0.3528419453290137
Energy: 0.5145134999657553
Energy: 0.3557182349000242
Energy: 0.34558707772948366
Energy: 0.35571823490067145
Energy: 0.34558707772948366
Energy: 0.3557182348993771
Energy: 0.34558707772948366
Energy: 0.4069450324295012
Energy: 0.38073277918144094
Energy: 0.4069450324275597
Energy: 0.3807327791817645
Energy: 0.4069450324285304
Energy: 0.3807327791820881
Energy: 0.39400292004208143
Energy: 0.38726570464468973
Energy: 0.3940029200401399
Energy: 0.38726570464436616
Energy: 0.3940029200411107
Energy: 0.38726570464468973
Energy: 0.35971595052320654
Energy: 0.425744456781208
Energy: 0.3597159505228829
Energy: 0.425744456781208
Energy: 0.35971595052320654
Energy: 0.4257444567815315
Energy: 0.33219755306205645
Energy: 0.4282284055780591
Energy: 0.33219755306302723
Energy: 0.4282284055780591
Energy: 0.33219755306270365
Energy: 0.4282284055780591
Energy: 0.48834306151294676
Energy: 0.3807312604836077
Energy: 0.4883430615142411
Energy: 0.3807312604839313
Energy: 0.4883430615139175
Energy: 0.3807312604836077
Energy: 0.4026397516371465
Energy: 0.45826208801844837
Energy: 0.4026397516368229
Energy: 0.4582620880194192
Energy: 0.40263975163779375
Energy: 0.4582620880178013
Energy: 0.35567561116903623
Energy: 0.3420254962491849
Energy: 0.3556756111696834
Energy: 0.3420254962491849
Energy: 0.35567561116903623
Energy: 0.3420254962491849
Energy: 0.37763599561435995
Energy: 0.36917719148764216
Energy: 0.3776359956140363
Energy: 0.3691771914873186
Energy: 0.37763599561435995
Energy: 0.3691771914879658
Energy: 0.37459608582915405
Energy: 0.37919614810879776
Energy: 0.3745960858285068
Energy: 0.37919614810879776
Energy: 0.3745960858285068
Energy: 0.37919614810879776
Energy: 0.39077914573656547
Energy: 0.39303812709229685
Energy: 0.3907791457359183
Energy: 0.39303812709229685
Energy: 0.3907791457359183
Energy: 0.3930381270919732
Energy: 0.3500140349437634
Energy: 0.4234356179036008
Energy: 0.35001403494279265
Energy: 0.4234356179036008
Energy: 0.3500140349437634
Energy: 0.4234356179036008
Energy: 0.35605647465234425
Energy: 0.3779096377038534
Energy: 0.35605647465234425
Energy: 0.3779096377038534
Energy: 0.35605647465234425
Energy: 0.37790963770450053
Energy: 0.44969050452155107
Energy: 0.43639313324615003
Energy: 0.4496905045205803
Energy: 0.43639313324744433
Energy: 0.4496905045205803
Energy: 0.43639313324776796
Energy: 0.3562732728215548
Energy: 0.3793795190864429
Energy: 0.35627327282058396
Energy: 0.3793795190864429
Energy: 0.3562732728218783
Energy: 0.3793795190864429
Energy: 0.3313942884569195
Energy: 0.4777679444570941
Energy: 0.3313942884585374
Energy: 0.47776794445741766
Energy: 0.33139428845594865
Energy: 0.4777679444570941
Energy: 0.5049942069276714
Energy: 0.38900987629191697
Energy: 0.5049942069283185
Energy: 0.3890098762928877
Energy: 0.5049942069273478
Energy: 0.38900987629224054
Energy: 0.3314178137108882
Energy: 0.4778124108170899
Energy: 0.3314178137131239
Energy: 0.4778124108170899
Energy: 0.33141781371118234
Energy: 0.4778124108174135
Energy: 0.3562737020892532
Energy: 0.37937614392798646
Energy: 0.3562737020892532
Energy: 0.37937614392766295
Energy: 0.3562737020892532
Energy: 0.37937614392798646
Energy: 0.44976711042766476
Energy: 0.43652817371769587
Energy: 0.44976711042734124
Energy: 0.4365281737170487
Energy: 0.44976711042798834
Energy: 0.4365281737170487
Energy: 0.35605925313726877
Energy: 0.35901560153030576
Energy: 0.35605925313888676
Energy: 0.35901560153030576
Energy: 0.35605925313726877
Energy: 0.35901560153030576
Energy: 0.350015783253501
Energy: 0.4233876181037952
Energy: 0.35001578325317745
Energy: 0.4233876181037952
Energy: 0.35001578325317745
Energy: 0.4233876181034717
Energy: 0.39079506866438424
Energy: 0.39300448554989215
Energy: 0.39079506866276625
Energy: 0.3930044855489213
Energy: 0.3907950686637371
Energy: 0.39300448554924494
Energy: 0.37456214433242413
Energy: 0.3790868922627084
Energy: 0.3745621443337185
Energy: 0.379086892263032
Energy: 0.37456214433339485
Energy: 0.379086892263032
Energy: 0.3778319758317976
Energy: 0.34843332075949407
Energy: 0.37783197583082684
Energy: 0.3484333207601412
Energy: 0.37783197583082684
Energy: 0.34843332075949407
Energy: 0.35565020676625314
Energy: 0.3419733708193656
Energy: 0.3556502067665767
Energy: 0.3419733708193656
Energy: 0.3556502067665767
Energy: 0.3419733708193656
Energy: 0.4026539256147817
Energy: 0.5400740555009966
Energy: 0.4026539256144581
Energy: 0.5400740555009966
Energy: 0.4026539256147817
Energy: 0.5400740555013201
Energy: 0.48846668871994264
Energy: 0.3805399464609575
Energy: 0.48846668871961907
Energy: 0.3805399464619283
Energy: 0.48846668872091337
Energy: 0.38053994646128114
Energy: 0.33219290594100426
Energy: 0.4280877845760709
Energy: 0.3321929059416514
Energy: 0.4280877845760709
Energy: 0.33219290594100426
Energy: 0.4280877845760709
Energy: 0.35975956345663535
Energy: 0.42923449262288454
Energy: 0.3597595634579297
Energy: 0.42923449262288454
Energy: 0.3597595634579297
Energy: 0.429234492622561
Energy: 0.3939506493716669
Energy: 0.4534658449731374
Energy: 0.3939506493723141
Energy: 0.4534658449728139
Energy: 0.39395064937101976
Energy: 0.45346584497346104
Energy: 0.40689422951326715
Energy: 0.3807043984046007
Energy: 0.4068942295135907
Energy: 0.38070439840524783
Energy: 0.40689422951262
Energy: 0.38070439840427706
Energy: 0.35574347866191447
Energy: 0.3455908076507746
Energy: 0.35574347866191447
Energy: 0.3455908076507746
Energy: 0.3557434786625617
Energy: 0.3455908076507746
Energy: 0.3528099690605869
Energy: 0.514037354436511
Energy: 0.35280996906252843
Energy: 0.5140373544358638
Energy: 0.3528099690609105
Energy: 0.514037354436511
Energy: 0.5119084988863805
Energy: 0.4094964109941797
Energy: 0.5119084988857333
Energy: 0.4094964109941797
Energy: 0.5119084988863805
Energy: 0.4094964109938561
Energy: 0.3905402579512198
Energy: 0.3926495848897021
Energy: 0.3905402579518671
Energy: 0.3926495848897021
Energy: 0.3905402579518671
Energy: 0.39264958488937857
Energy: 0.5127195153833543
Energy: 0.3775029313812518
Energy: 0.5127195153804713
Energy: 0.3775029313809282
Energy: 0.5127195153817659
Energy: 0.37750293138157537
Energy: 0.3528419453283665
Energy: 0.514513499966079
Energy: 0.3528419453286901
Energy: 0.5145134999657553
Energy: 0.35284194532771934
Energy: 0.5145134999664026
Energy: 0.35571823489840626
Energy: 0.34558707772883646
Energy: 0.3557182348987299
Energy: 0.34558707772883646
Energy: 0.3557182348990535
Energy: 0.34558707772883646
Energy: 0.40694503242917757
Energy: 0.3807327791788522
Energy: 0.4069450324278832
Energy: 0.3807327791788522
Energy: 0.4069450324285304
Energy: 0.3807327791791758

minimum gb energy = 0.33139428845594865 eV
minimum distance =  2.60050284812286 Angstroms
sigma value = 57


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

Energy: 0.1620494243348551
Energy: 0.16725983612402626
Energy: 0.1620494243341185
Energy: 0.16725983612476286
Energy: 0.1620494243348551
Energy: 0.16725983612402626
Energy: 0.23680161586142653
Energy: 0.24531310567895762
Energy: 0.23680161586142653
Energy: 0.24531310567453793
Energy: 0.23680161586142653
Energy: 0.24531310567674777
Energy: 0.19176417752565897
Energy: 0.217828484150126
Energy: 0.19176417752492236
Energy: 0.21782848414791614
Energy: 0.1917641775263956
Energy: 0.217828484150126
Energy: 0.16871595860853703
Energy: 0.16215844678841437
Energy: 0.16871595860927363
Energy: 0.16215844678841437
Energy: 0.16871595860927363
Energy: 0.1621584467906242
Energy: 0.23790025958476113
Energy: 0.2360604280368873
Energy: 0.23790025958623434
Energy: 0.2360604280368873
Energy: 0.23790025958844416
Energy: 0.2360604280361507
Energy: 0.16220885895506834
Energy: 0.19567420566027882
Energy: 0.16220885896243445
Energy: 0.19567420566027882
Energy: 0.16220885895875137
Energy: 0.19567420566027882
Energy: 0.1622072156233896
Energy: 0.1956307758942336
Energy: 0.16220721562707266
Energy: 0.1956307758942336
Energy: 0.16220721562780926
Energy: 0.1956307758942336
Energy: 0.2391016048815358
Energy: 0.23607480765950253
Energy: 0.23910160488227242
Energy: 0.23607480765950253
Energy: 0.23910160488227242
Energy: 0.23607480765950253
Energy: 0.1687125090056653
Energy: 0.16215646265910133
Energy: 0.16871250900492873
Energy: 0.16215646265910133
Energy: 0.16871250900492873
Energy: 0.1621564626568915
Energy: 0.1917860912195868
Energy: 0.21774333909821908
Energy: 0.1917860912195868
Energy: 0.21774333909748247
Energy: 0.19178609122106002
Energy: 0.21774333909821908
Energy: 0.23804030327516698
Energy: 0.24524413018866398
Energy: 0.23804030327516698
Energy: 0.24524413018940058
Energy: 0.23804030327590356
Energy: 0.24524413018866398
Energy: 0.1620494243348551
Energy: 0.16725983612476286
Energy: 0.1620494243348551
Energy: 0.16725983612402626
Energy: 0.1620494243348551
Energy: 0.16725983612476286
Energy: 0.23680161586068996
Energy: 0.24531310567674777
Energy: 0.23680161586142653
Energy: 0.24531310568116743
Energy: 0.23680161586142653
Energy: 0.2453131056774844
Energy: 0.19176417752565897
Energy: 0.2178284841508626
Energy: 0.19176417752565897
Energy: 0.21782848415307243
Energy: 0.19176417752492236
Energy: 0.2178284841493894
Energy: 0.16871595861516653
Energy: 0.16215844679504388
Energy: 0.16871595861884955
Energy: 0.16215844678988758
Energy: 0.16871595861222005
Energy: 0.1621584467906242
Energy: 0.23790025958770758
Energy: 0.2360604280361507
Energy: 0.23790025958770758
Energy: 0.2360604280361507
Energy: 0.23790025958918076
Energy: 0.2360604280361507
Energy: 0.16220885896096124
Energy: 0.19567420566027882
Energy: 0.16220885896390766
Energy: 0.19567420566027882
Energy: 0.16220885895654155
Energy: 0.19567420566027882
Energy: 0.16220721563149232
Energy: 0.1956307758942336
Energy: 0.16220721562633605
Energy: 0.1956307758942336
Energy: 0.16220721562854587
Energy: 0.1956307758942336
Energy: 0.2391016048815358
Energy: 0.23607480765950253
Energy: 0.2391016048815358
Energy: 0.23607480765950253
Energy: 0.2391016048815358
Energy: 0.23607480765950253

minimum gb energy = 0.1620494243341185 eV
minimum distance =  2.79663338543717 Angstroms
sigma value = 11


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

Energy: 0.35883972409926995
Energy: 0.38221142349320564
Energy: 0.3588397240998095
Energy: 0.3822114234937452
Energy: 0.35883972409926995
Energy: 0.3822114234937452
Energy: 0.4179387800004566
Energy: 0.36906468073833165
Energy: 0.4179387800009962
Energy: 0.36906468073833165
Energy: 0.4179387800004566
Energy: 0.36906468073833165
Energy: 0.4117951491976471
Energy: 0.5019491175294994
Energy: 0.4117951491971076
Energy: 0.5019491175294994
Energy: 0.41179514919926585
Energy: 0.5019491175294994
Energy: 0.4419242761429581
Energy: 0.3492253729729659
Energy: 0.4419242761429581
Energy: 0.34922537297242634
Energy: 0.4419242761424185
Energy: 0.3492253729729659
Energy: 0.37356890387096153
Energy: 0.32077579679513424
Energy: 0.37356890387204067
Energy: 0.32077579679567386
Energy: 0.3735689038704219
Energy: 0.32077579679567386
Energy: 0.38226984405125736
Energy: 0.3975781461026888
Energy: 0.3822698440501783
Energy: 0.3975781461021493
Energy: 0.3822698440501783
Energy: 0.3975781461021493
Energy: 0.3310084631255362
Energy: 0.4358754245850759
Energy: 0.3310084631255362
Energy: 0.4358754245807592
Energy: 0.3310084631260758
Energy: 0.43587542458183837
Energy: 0.4150458943832432
Energy: 0.31004501767569015
Energy: 0.4150458943843223
Energy: 0.31004501767569015
Energy: 0.41504589438270356
Energy: 0.31004501767569015
Energy: 0.38137727255551046
Energy: 0.30880536327051195
Energy: 0.3813772725549709
Energy: 0.3088053632710515
Energy: 0.38137727255551046
Energy: 0.30880536327051195
Energy: 0.3171346427548478
Energy: 0.44893515419645447
Energy: 0.3171346427532291
Energy: 0.44893515419645447
Energy: 0.3171346427543082
Energy: 0.448935154196994
Energy: 0.47470463597294926
Energy: 0.4591341567797054
Energy: 0.47470463597187007
Energy: 0.4591341567797054
Energy: 0.47470463597187007
Energy: 0.4591341567797054
Energy: 0.36835010965299714
Energy: 0.33037688128252735
Energy: 0.3683501096524576
Energy: 0.33037688128252735
Energy: 0.3683501096540764
Energy: 0.33037688128252735
Energy: 0.3899632812263308
Energy: 0.34747685866474426
Energy: 0.3899632812252516
Energy: 0.34747685866474426
Energy: 0.38996328122579116
Energy: 0.34747685866474426
Energy: 0.4283274916275367
Energy: 0.4880813019322711
Energy: 0.4283274916269971
Energy: 0.4880813019322711
Energy: 0.4283274916275367
Energy: 0.4880813019322711
Energy: 0.46940757446539544
Energy: 0.371526595512447
Energy: 0.46940757446539544
Energy: 0.3715265955129866
Energy: 0.46940757446539544
Energy: 0.371526595512447
Energy: 0.35918641256835115
Energy: 0.3827830309826331
Energy: 0.35918641256835115
Energy: 0.3827830309826331
Energy: 0.35918641256835115
Energy: 0.3827830309826331
Energy: 0.33985396495205356
Energy: 0.3678634682094443
Energy: 0.339853964951514
Energy: 0.3678634682094443
Energy: 0.339853964951514
Energy: 0.3678634682094443
Energy: 0.4637458201574623
Energy: 0.500036924255679
Energy: 0.4637458201574623
Energy: 0.500036924255679
Energy: 0.4637458201574623
Energy: 0.500036924255679
Energy: 0.44119456748352187
Energy: 0.34824520123273867
Energy: 0.4411945674824428
Energy: 0.34824520123327823
Energy: 0.44119456748406155
Energy: 0.34824520123273867
Energy: 0.3743013589496624
Energy: 0.3526028834584895
Energy: 0.3743013589512811
Energy: 0.3526028834590291
Energy: 0.3743013589502019
Energy: 0.3526028834584895
Energy: 0.31795729365469183
Energy: 0.3975316571610292
Energy: 0.31795729365577097
Energy: 0.3975316571610292
Energy: 0.31795729365469183
Energy: 0.3975316571610292
Energy: 0.3842890225116137
Energy: 0.4225886657152383
Energy: 0.38428902250837615
Energy: 0.4225886657152383
Energy: 0.3842890225094553
Energy: 0.4225886657146987
Energy: 0.4094608614316167
Energy: 0.3695727279254328
Energy: 0.40946086143107707
Energy: 0.3695727279254328
Energy: 0.4094608614316167
Energy: 0.3695727279248932
Energy: 0.38142590832697565
Energy: 0.3450715688367587
Energy: 0.3814259083275152
Energy: 0.3450715688367587
Energy: 0.3814259083275152
Energy: 0.3450715688367587
Energy: 0.3178290176649553
Energy: 0.446512722321994
Energy: 0.31782901766387617
Energy: 0.4465127223214545
Energy: 0.3178290176649553
Energy: 0.4465127223214545
Energy: 0.514134085774356
Energy: 0.4615110277376738
Energy: 0.5141340857721978
Energy: 0.4615110277376738
Energy: 0.5141340857732769
Energy: 0.4615110277376738

minimum gb energy = 0.30880536327051195 eV
minimum distance =  2.62613124419515 Angstroms
sigma value = 41


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

Energy: 0.4314827892905793
Energy: 0.37237100506464427
Energy: 0.39623224507193694
Energy: 0.37237100506379367
Energy: 0.43148278928717704
Energy: 0.372371005064219
Energy: 0.44906989438278994
Energy: 0.44692123214521284
Energy: 0.4490698943810888
Energy: 0.4469212321473393
Energy: 0.4490698943806636
Energy: 0.4469212321473393
Energy: 0.5064486790123052
Energy: 0.5573154665123508
Energy: 0.50644867901188
Energy: 0.5573154665136265
Energy: 0.506448679013581
Energy: 0.5573154665132013
Energy: 0.4486515296240976
Energy: 0.3686988815702859
Energy: 0.4486515296249482
Energy: 0.3686988815736882
Energy: 0.44865152962324695
Energy: 0.3686988815736882
Energy: 0.35682969578554685
Energy: 0.39568459172306114
Energy: 0.35683244396755015
Energy: 0.3956845917243369
Energy: 0.3568296957859721
Energy: 0.3956845917243369
Energy: 0.44588043122047893
Energy: 0.4814849800015033
Energy: 0.4458804312196284
Energy: 0.4814849799998022
Energy: 0.4458804312192031
Energy: 0.4814849799998022
Energy: 0.38641453542265675
Energy: 0.4738184381727422
Energy: 0.3864145354213809
Energy: 0.473818438172317
Energy: 0.38641453542180615
Energy: 0.473818438172317
Energy: 0.3961687067757524
Energy: 0.3687445829934303
Energy: 0.39616402437647164
Energy: 0.368744582993005
Energy: 0.3961687067753271
Energy: 0.368744582993005
Energy: 0.34766247492110447
Energy: 0.38970923602046004
Energy: 0.3476624749223804
Energy: 0.3897092360213106
Energy: 0.34766247492110447
Energy: 0.3897092360213106
Energy: 0.40046244954275884
Energy: 0.516443799600278
Energy: 0.40046244954275884
Energy: 0.5164437995973009
Energy: 0.40046244954233357
Energy: 0.5164437995973009
Energy: 0.4012803299161747
Energy: 0.48984645728095677
Energy: 0.4012803299153241
Energy: 0.48984645728223253
Energy: 0.40128032991447354
Energy: 0.48984645728223253
Energy: 0.3641074768642865
Energy: 0.39402733432377185
Energy: 0.36410747686301065
Energy: 0.3940273343233465
Energy: 0.3641074768625853
Energy: 0.3940273343233465
Energy: 0.3699783433065972
Energy: 0.36952917144778563
Energy: 0.36997834330702256
Energy: 0.36952917144906144
Energy: 0.36997834330702256
Energy: 0.36952917144906144
Energy: 0.35348901244138364
Energy: 0.4910768500327061
Energy: 0.35334704356055907
Energy: 0.49107685003313134
Energy: 0.353489012438832
Energy: 0.4910768500327061
Energy: 0.4814759021652841
Energy: 0.4916726174831138
Energy: 0.4814759021648588
Energy: 0.4916726174831138
Energy: 0.48147590216443353
Energy: 0.4916726174826886
Energy: 0.352968818066068
Energy: 0.42669820322020213
Energy: 0.35296881806904495
Energy: 0.42669820322060814
Energy: 0.35296881806691854
Energy: 0.38568733670052485
Energy: 0.40145886974697015
Energy: 0.3694821344783537
Energy: 0.40193865522398414
Energy: 0.36948213447707784
Energy: 0.401458869751629
Energy: 0.36948213447707784
Energy: 0.45623340279900315
Energy: 0.5585279657730576
Energy: 0.4424881521269325
Energy: 0.5585279657747587
Energy: 0.4562334027985778
Energy: 0.5585279657747587
Energy: 0.4624106550995218
Energy: 0.44593314466399314
Energy: 0.4624106551003724
Energy: 0.4459331446648437
Energy: 0.46241065510164825
Energy: 0.445933144665269
Energy: 0.4323494215773319
Energy: 0.46264334158470344
Energy: 0.39719133063940404
Energy: 0.41528242949560734
Energy: 0.4323494215773319
Energy: 0.41528242949560734
Energy: 0.3681826644045703
Energy: 0.4484300736614992
Energy: 0.3681826644037198
Energy: 0.44843007366064863
Energy: 0.3681826644045703
Energy: 0.44843007366064863
Energy: 0.5047676545287476
Energy: 0.5672981860215452
Energy: 0.5047676545274717
Energy: 0.5672981860262234
Energy: 0.5047676545278971
Energy: 0.5672981860262234
Energy: 0.45130301009821255
Energy: 0.3697494342144035
Energy: 0.4513030100986379
Energy: 0.3697494342131276
Energy: 0.4513030100986379
Energy: 0.36974943421355294
Energy: 0.35287804508709875
Energy: 0.446397788484582
Energy: 0.3528800981150389
Energy: 0.4463977884841567
Energy: 0.3528780450879493
Energy: 0.4463977884841567
Energy: 0.35452482640892385
Energy: 0.47983012406225445
Energy: 0.3545248264101997
Energy: 0.4798301240639556
Energy: 0.3545248264093492
Energy: 0.4798301240639556
Energy: 0.38646758303329865
Energy: 0.4663462092111151
Energy: 0.38646758303542506
Energy: 0.4663462092102645
Energy: 0.3864675830337239
Energy: 0.4663462092102645
Energy: 0.3971082765658923
Energy: 0.36970015613782314
Energy: 0.3969160608787306
Energy: 0.3697001561369726
Energy: 0.39710827656546704
Energy: 0.3697001561369726
Energy: 0.3490071073161944
Energy: 0.43853644703126726
Energy: 0.34900710731661966
Energy: 0.43853644703041667
Energy: 0.3490071073200026
Energy: 0.43853644703041667
Energy: 0.3986402018543686
Energy: 0.4567124668491368
Energy: 0.3986402018552192
Energy: 0.4567124668470104
Energy: 0.39864020185692034
Energy: 0.4567124668470104
Energy: 0.5304304084266429
Energy: 0.4356424376054118
Energy: 0.5304304084279188
Energy: 0.4356424376066877
Energy: 0.530430408430026
Energy: 0.4356424376071131
Energy: 0.36501032933401345
Energy: 0.39232108403714605
Energy: 0.3650103293352892
Energy: 0.3923210840392725
Energy: 0.3650103293361398
Energy: 0.3923210840392725
Energy: 0.3761090240976636
Energy: 0.36900626020755695
Energy: 0.3761090240976636
Energy: 0.36900626020755695
Energy: 0.3761090240976636
Energy: 0.36900626020755695
Energy: 0.35437660779012414
Energy: 0.4111092251887854
Energy: 0.3543771832212747
Energy: 0.41110922518710347
Energy: 0.35437660778842306
Energy: 0.41110922518667825

minimum gb energy = 0.34766247492110447 eV
minimum distance =  2.61550460786441 Angstroms
sigma value = 33


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

Energy: 0.37753974671890594
Energy: 0.3578831961738956
Energy: 0.37753974671890594
Energy: 0.3578831961735971
Energy: 0.37753974671771207
Energy: 0.3578831961738956
Energy: 0.438378462073237
Energy: 0.35460662323337094
Energy: 0.43837846207234155
Energy: 0.3546066232330725
Energy: 0.4383784620747293
Energy: 0.3546066232330725
Energy: 0.41664168542575364
Energy: 0.5554035470460974
Energy: 0.41664168542426133
Energy: 0.5554035470463958
Energy: 0.41664168542485824
Energy: 0.5554035470466944
Energy: 0.40385755789448463
Energy: 0.35490444592667386
Energy: 0.40385755789478306
Energy: 0.35490444592667386
Energy: 0.40385755789746924
Energy: 0.35490444592667386
Energy: 0.3564162742439602
Energy: 0.5464604808259221
Energy: 0.35641627424425865
Energy: 0.5464604808256237
Energy: 0.3564162742439602
Energy: 0.5464604808259221
Energy: 0.4906723295763147
Energy: 0.35509810413801235
Energy: 0.4906723295781055
Energy: 0.3550981041377139
Energy: 0.49067232957721013
Energy: 0.35509810413801235
Energy: 0.39321685394180217
Energy: 0.4493662193253757
Energy: 0.3932168539415037
Energy: 0.44936621932597265
Energy: 0.39321685394299605
Energy: 0.44936621932597265
Energy: 0.404051767265744
Energy: 0.4356767962498368
Energy: 0.40405176726663944
Energy: 0.4356767962501352
Energy: 0.40405176726693787
Energy: 0.4356767962501352
Energy: 0.5469120891512327
Energy: 0.3806247909147015
Energy: 0.5469120891515311
Energy: 0.3806247909147015
Energy: 0.5469120891515311
Energy: 0.38062479091499996
Energy: 0.5173380226455276
Energy: 0.3600186310361957
Energy: 0.5173380226449306
Energy: 0.3600186310355988
Energy: 0.5173380226443337
Energy: 0.3600186310361957
Energy: 0.40461543951017515
Energy: 0.40413918066717075
Energy: 0.4046154395095783
Energy: 0.4041391806677676
Energy: 0.4046154395098767
Energy: 0.4041391806677676
Energy: 0.5472566329567417
Energy: 0.3550164813285678
Energy: 0.5472566329585324
Energy: 0.35501648132826935
Energy: 0.5472566329585324
Energy: 0.3550164813285678
Energy: 0.3817860644256036
Energy: 0.5465934530944944
Energy: 0.38178606442470825
Energy: 0.5465934530944944
Energy: 0.3817860644259021
Energy: 0.5465934530944944
Energy: 0.4348833391089908
Energy: 0.4032370958661552
Energy: 0.4348833391107816
Energy: 0.40323709586585677
Energy: 0.4348833391092892
Energy: 0.40323709586585677
Energy: 0.43406219813326236
Energy: 0.3948674479848482
Energy: 0.4340621981353517
Energy: 0.3948674479848482
Energy: 0.43406219813445623
Energy: 0.39486744798514667
Energy: 0.3550772797343237
Energy: 0.49090224609539723
Energy: 0.355077279735219
Energy: 0.49090224609539723
Energy: 0.3550772797343237
Energy: 0.49090224609509875
Energy: 0.5459396430932734
Energy: 0.3574328336170499
Energy: 0.5459396430944673
Energy: 0.3574328336167515
Energy: 0.5459396430935718
Energy: 0.3574328336170499
Energy: 0.3576884069274417
Energy: 0.4101370326530425
Energy: 0.3576884069268448
Energy: 0.4101370326527441
Energy: 0.35768840692624787
Energy: 0.41013703265334106
Energy: 0.5550050529477641
Energy: 0.4172787946710999
Energy: 0.5550050529468686
Energy: 0.41727879467020446
Energy: 0.5550050529465703
Energy: 0.41727879467139833
Energy: 0.46301658006650387
Energy: 0.3840781986225066
Energy: 0.46301658006531
Energy: 0.3840781986225066
Energy: 0.46301658006680235
Energy: 0.3840781986225066
Energy: 0.35587884679807436
Energy: 0.3786705346980409
Energy: 0.3558788467986441
Energy: 0.37867053469744394
Energy: 0.35587884679717896
Energy: 0.37867053469833933
Energy: 0.3607397516027359
Energy: 0.4355230235309652
Energy: 0.3607397516018406
Energy: 0.4355230235309652
Energy: 0.3607397516024375
Energy: 0.4355230235306668
Energy: 0.533239225457294
Energy: 0.46357607598279105
Energy: 0.5332392254581892
Energy: 0.46357607598279105
Energy: 0.5332392254578908
Energy: 0.46357607598279105
Energy: 0.3544022627961168
Energy: 0.49175410712210166
Energy: 0.35440226279641535
Energy: 0.49175410712210166
Energy: 0.3544022627961168
Energy: 0.49175410712210166
Energy: 0.5475619541746907
Energy: 0.35738201955114207
Energy: 0.5475619541743922
Energy: 0.35738201955114207
Energy: 0.5475619541746907
Energy: 0.3573820195514406
Energy: 0.3564942436147061
Energy: 0.5331506399808658
Energy: 0.3564942436141092
Energy: 0.5331506399808658
Energy: 0.3564942436141092
Energy: 0.5331506399808658
Energy: 0.431926393136759
Energy: 0.39181626170143363
Energy: 0.4319263931379529
Energy: 0.39181626170143363
Energy: 0.4319263931379529
Energy: 0.39181626170113515
Energy: 0.3788026665060243
Energy: 0.3549428595557354
Energy: 0.3788026665069197
Energy: 0.354942859555437
Energy: 0.3788026665063227
Energy: 0.354942859555437
Energy: 0.3812646315301266
Energy: 0.5468123582443949
Energy: 0.381264631530425
Energy: 0.5468123582440964
Energy: 0.38126463152952955
Energy: 0.5468123582440964
Energy: 0.36206538979546554
Energy: 0.5564069247281253
Energy: 0.362065389795764
Energy: 0.5564069247281253
Energy: 0.3620653897951671
Energy: 0.5564069247284236
Energy: 0.40646497950207056
Energy: 0.35505151783189987
Energy: 0.4064649795032645
Energy: 0.3550515178321983
Energy: 0.40646497950207056
Energy: 0.35505151783398914
Energy: 0.3543474456219117
Energy: 0.5460172526990605
Energy: 0.35434744562221016
Energy: 0.5460172526993591
Energy: 0.35434744562221016
Energy: 0.5460172526993591
Energy: 0.5474133686410332
Energy: 0.3845268906626382
Energy: 0.5474133686419286
Energy: 0.3845268906620412
Energy: 0.54741336864163
Energy: 0.3845268906620412
Energy: 0.4032209207736
Energy: 0.4336639116906103
Energy: 0.40322092077509236
Energy: 0.4336639116906103
Energy: 0.40322092077449545
Energy: 0.4336639116906103
Energy: 0.40333664065203034
Energy: 0.433793272374182
Energy: 0.4033366406526273
Energy: 0.433793272374182
Energy: 0.40333664065292574
Energy: 0.433793272374182
Energy: 0.5473427015094475
Energy: 0.384523973646811
Energy: 0.5473427015103428
Energy: 0.3845239736465125
Energy: 0.547342701509746
Energy: 0.384523973646811
Energy: 0.3543810160421743
Energy: 0.5460422810217316
Energy: 0.3543810160430697
Energy: 0.5460422810217316
Energy: 0.3543810160421743
Energy: 0.5460422810217316
Energy: 0.4064757863197677
Energy: 0.35512348448803854
Energy: 0.40647578632006615
Energy: 0.35512348449729103
Energy: 0.4064757863197677
Energy: 0.35512348449132164
Energy: 0.3621143678007418
Energy: 0.5563273999113642
Energy: 0.36211436780104034
Energy: 0.5563273999116627
Energy: 0.36211436780163725
Energy: 0.5563273999113642
Energy: 0.3812487513004226
Energy: 0.546790204536084
Energy: 0.3812487512998256
Energy: 0.546790204536084
Energy: 0.38124875130012414
Energy: 0.546790204536084
Energy: 0.37880382913751853
Energy: 0.3549082624190683
Energy: 0.37880382913632465
Energy: 0.35490826241936674
Energy: 0.37880382913781696
Energy: 0.3549082624187698
Energy: 0.4321117024028983
Energy: 0.3919151019567329
Energy: 0.43211170240259983
Energy: 0.39191510195703144
Energy: 0.43211170240200286
Energy: 0.3919151019564344
Energy: 0.3564575932406717
Energy: 0.5332953999631832
Energy: 0.3564575932412687
Energy: 0.5332953999634816
Energy: 0.35645759324097015
Energy: 0.5332953999634816
Energy: 0.5475683892418441
Energy: 0.3573663269982027
Energy: 0.5475683892430381
Energy: 0.35736632699790427
Energy: 0.5475683892427395
Energy: 0.3573663269982027
Energy: 0.35439888474049885
Energy: 0.4918112673848242
Energy: 0.35439888473990183
Energy: 0.4918112673845258
Energy: 0.35439888474020026
Energy: 0.49181126738422737
Energy: 0.5329349645712328
Energy: 0.4637512469700913
Energy: 0.5329349645706359
Energy: 0.46375124696979286
Energy: 0.5329349645703375
Energy: 0.46375124696949444
Energy: 0.3610657623907396
Energy: 0.429976640994925
Energy: 0.3610657623907396
Energy: 0.429976640995522
Energy: 0.36106576239103816
Energy: 0.429976640994925

minimum gb energy = 0.3543474456219117 eV
minimum distance =  2.63318950460113 Angstroms
sigma value = 67


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

Energy: 0.3683377620944704
Energy: 0.3717301685360232
Energy: 0.36833776209426644
Energy: 0.3717301685360232
Energy: 0.36833776209426644
Energy: 0.37173016853584184
Energy: 0.357771300373988
Energy: 0.3650428812296936
Energy: 0.35777130037378396
Energy: 0.36504288122989764
Energy: 0.35777130037378396
Energy: 0.3650428812296936
Energy: 0.5130381913386854
Energy: 0.5041774621514377
Energy: 0.5130381913386854
Energy: 0.5041774621540218
Energy: 0.5611024466883782
Energy: 0.5041774621524351
Energy: 0.357768033236901
Energy: 0.36528944535691565
Energy: 0.35776803323710493
Energy: 0.36528944535691565
Energy: 0.3577680332366969
Energy: 0.36528944535730107
Energy: 0.36833776209526387
Energy: 0.3717301685336431
Energy: 0.36833776209505975
Energy: 0.3717301685338471
Energy: 0.36833776209505975
Energy: 0.3717301685334391
Energy: 0.3577713003735799
Energy: 0.3650428812289003
Energy: 0.3577713003735799
Energy: 0.3650428812289003
Energy: 0.35777130037339866
Energy: 0.3650428812289003
Energy: 0.3649673473183276
Energy: 0.5041774621548152
Energy: 0.36496734731612884
Energy: 0.5041774621550192
Energy: 0.36496734731592484
Energy: 0.5041774621538179

minimum gb energy = 0.3577680332366969 eV
minimum distance =  2.69128495470855 Angstroms
sigma value = 3


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

Energy: 0.5350019593185172
Energy: 0.4408413391669771
Energy: 0.5205770409456155
Energy: 0.44084133917132035
Energy: 0.535001959315556
Energy: 0.4408413391718632
Energy: 0.4920117950690323
Energy: 0.46706217899503943
Energy: 0.49201179506927906
Energy: 0.4670621789939536
Energy: 0.4920117950717468
Energy: 0.46706217899449654
Energy: 0.4820737669054512
Energy: 0.580730604350282
Energy: 0.47061084630092187
Energy: 0.5807306043586724
Energy: 0.48207376691142306
Energy: 0.5807306043589685
Energy: 0.5112569994064985
Energy: 0.4633879268194908
Energy: 0.5112569994062517
Energy: 0.4532567693626597
Energy: 0.5112569994059557
Energy: 0.45325676936537423
Energy: 0.4767208186101832
Energy: 0.47600656175240513
Energy: 0.47672081861047927
Energy: 0.4760065617504803
Energy: 0.4767208186128976
Energy: 0.4760065617504803
Energy: 0.4678529331187709
Energy: 0.497022374862751
Energy: 0.46785293311931375
Energy: 0.4970223748657617
Energy: 0.4678529331163031
Energy: 0.49702237486521883
Energy: 0.5318917803575715
Energy: 0.5264640671341726
Energy: 0.5320179260701055
Energy: 0.5264640671330868
Energy: 0.5318917803581144
Energy: 0.5264640671325438
Energy: 0.5187337211841163
Energy: 0.4770045663138327
Energy: 0.5187337211835733
Energy: 0.4701255288697825
Energy: 0.5187337211808589
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Energy: 0.4478033936305493
Energy: 0.4645661362362237
Energy: 0.4478033936310922
Energy: 0.46456613623839527
Energy: 0.44780339363272087
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Energy: 0.4575177612038479
Energy: 0.5142627840191885
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Energy: 0.5142627840159312
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Energy: 0.514262784016474
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Energy: 0.4946686763391504
Energy: 0.48394704995593907
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Energy: 0.4746529120256104
Energy: 0.48092779043271067
Energy: 0.48147668251546805
Energy: 0.48092771357313474
Energy: 0.48080707768251585
Energy: 0.4467770876013056
Energy: 0.4568064701746942
Energy: 0.4467770875991339
Energy: 0.4568064701741513
Energy: 0.4467770875972584
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Energy: 0.4566136255738664
Energy: 0.5190379131497032
Energy: 0.4566136255754952
Energy: 0.5190379131567608
Energy: 0.45661362557712387
Energy: 0.5190379131562181
Energy: 0.5191210271699359
Energy: 0.46790079631325376
Energy: 0.5191210271617923
Energy: 0.46790079631433956
Energy: 0.5191210271636678
Energy: 0.4679007963129576
Energy: 0.5221928465790778
Energy: 0.4372643354097359
Energy: 0.5221928465769061
Energy: 0.4372643354145727
Energy: 0.5221928465831742
Energy: 0.43726433541432586
Energy: 0.47853352151748185
Energy: 0.47341811928964006
Energy: 0.4785335215163961
Energy: 0.4734181192972407
Energy: 0.47853352151802475
Energy: 0.4734181192972407
Energy: 0.44620118469533315
Energy: 0.5411021633103759
Energy: 0.4462011846880287
Energy: 0.5411021633082043
Energy: 0.4462011846891145
Energy: 0.5411021633082043
Energy: 0.4915181037153124
Energy: 0.5199792415652627
Energy: 0.49151810371664495
Energy: 0.5199792415552437
Energy: 0.4915181037182737
Energy: 0.5199792415547007
Energy: 0.48109079228417445
Energy: 0.47228850327477023
Energy: 0.4810907922825457
Energy: 0.4722885032712167
Energy: 0.4810907922803741
Energy: 0.4618928946187896
Energy: 0.4725432095166681
Energy: 0.524862222303188
Energy: 0.4725465520445133
Energy: 0.5248622222996344
Energy: 0.47254320952342965
Energy: 0.5248622222996344
Energy: 0.45328618440919877
Energy: 0.5402445383388144
Energy: 0.4532483210246498
Energy: 0.5402445383396041
Energy: 0.453286184408952
Energy: 0.5402445383399003
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Energy: 0.4679509488937864
Energy: 0.527969103782477
Energy: 0.4679509488929968
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Energy: 0.46795094889324357
Energy: 0.44950181465438427
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Energy: 0.45679514691824524
Energy: 0.4495018146549271
Energy: 0.45679514691794904
Energy: 0.45156511523438125
Energy: 0.5249098867047906
Energy: 0.4515651152352202
Energy: 0.5249098867091339
Energy: 0.4515651152352202
Energy: 0.5249098867091339
Energy: 0.47095181910483147
Energy: 0.5212539838770992
Energy: 0.48452880786963803
Energy: 0.5212539838817386
Energy: 0.4709518191102605
Energy: 0.5212539838817386
Energy: 0.5067496693021497
Energy: 0.49063799094737165
Energy: 0.5067496693037784
Energy: 0.49063799094574295
Energy: 0.5067496693037784
Energy: 0.49063799094603905
Energy: 0.4499082765993739
Energy: 0.4429499415759322
Energy: 0.44990827659858423
Energy: 0.442949941571589
Energy: 0.4499082765953268
Energy: 0.442949941571589
Energy: 0.45206186298034157
Energy: 0.47337134277361087
Energy: 0.45206186297979867
Energy: 0.4733713427717355
Energy: 0.452061862977331
Energy: 0.4733713427714887
Energy: 0.5113436204178154
Energy: 0.46955536311992047
Energy: 0.49455269214747166
Energy: 0.469555363112616
Energy: 0.5113436204210728
Energy: 0.469555363112616
Energy: 0.501346440767547
Energy: 0.4594359715863812
Energy: 0.4817858528186826
Energy: 0.45943597159047767
Energy: 0.50134644076809
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Energy: 0.47630522021013516
Energy: 0.4758368200996183
Energy: 0.47630522020638427
Energy: 0.4758368200985325
Energy: 0.47630522021013516
Energy: 0.47583682009907546
Energy: 0.440700045413089
Energy: 0.4705004174444402
Energy: 0.4407000454158035
Energy: 0.4705004174376786
Energy: 0.4407000454127929
Energy: 0.4705004174376786
Energy: 0.5315236604468512
Energy: 0.4734168082229768
Energy: 0.5315236604481839
Energy: 0.47341680822539517
Energy: 0.5315236604465552
Energy: 0.4734168082251484
Energy: 0.4975073934240667
Energy: 0.49156833858814625
Energy: 0.49750739342189504
Energy: 0.4915683385892321
Energy: 0.4975073934199702
Energy: 0.4915683385892321
Energy: 0.4729783412469733
Energy: 0.5271594722815327
Energy: 0.47301470773688203
Energy: 0.5271594722782753
Energy: 0.47297834124455485
Energy: 0.5271594722782753
Energy: 0.4480881759236879
Energy: 0.4721977865174101
Energy: 0.4481008040587004
Energy: 0.4721977865220001
Energy: 0.4480881759196408
Energy: 0.47219778652175337
Energy: 0.56005682126343
Energy: 0.4399842426729125
Energy: 0.5600568212610118
Energy: 0.43998424267508396
Energy: 0.5600568212626404
Energy: 0.43998424267508396
Energy: 0.47811990232806373
Energy: 0.5433686077060133
Energy: 0.47811990232890267
Energy: 0.5433686077095174
Energy: 0.478119902327274
Energy: 0.5433686077098137
Energy: 0.4552753496081282
Energy: 0.5271097284752381
Energy: 0.4552753496062034
Energy: 0.527109728475781
Energy: 0.45527534960324206
Energy: 0.527109728475781
Energy: 0.47790098386495733
Energy: 0.49829303383721946
Energy: 0.47790081702780374
Energy: 0.4982930338388481
Energy: 0.47790098386387153
Energy: 0.49829303383993395
Energy: 0.5935056446966759
Energy: 0.4582824399564764
Energy: 0.5935056446937145
Energy: 0.45828243995593354
Energy: 0.5935056446871997
Energy: 0.45828243995593354
Energy: 0.4800197382256694
Energy: 0.5220091273499564
Energy: 0.48001973822458366
Energy: 0.5220091273570142
Energy: 0.4800197382253733
Energy: 0.522009127357261
Energy: 0.46525565711386413
Energy: 0.4759681447474651
Energy: 0.46525565711386413
Energy: 0.47596814474909377
Energy: 0.4652556571165786
Energy: 0.47596814474909377
Energy: 0.5203965764618147
Energy: 0.44008715538815496
Energy: 0.5203965764661579
Energy: 0.4400871553862795
Energy: 0.5203965764677866
Energy: 0.4400871553873653
Energy: 0.5590266042663938
Energy: 0.45784882594304205
Energy: 0.5590266042634325
Energy: 0.4578488259465955
Energy: 0.5590266042590891
Energy: 0.45784882594629933
Energy: 0.4659526717373303
Energy: 0.5237853582012651
Energy: 0.46595203330359686
Energy: 0.5237853581996366
Energy: 0.46595267173678734
Energy: 0.5237853581996366
Energy: 0.43528855232980557
Energy: 0.47483697963734983
Energy: 0.43528855232679486
Energy: 0.4748369796411501
Energy: 0.4352885523278807
Energy: 0.4748369796411501
Energy: 0.4778876938323168
Energy: 0.472396862305381
Energy: 0.4778876938323168
Energy: 0.4723968623083917
Energy: 0.4778876938288127
Energy: 0.4723968623083917
Energy: 0.5048604133537246
Energy: 0.5116976267383292
Energy: 0.5048604133613251
Energy: 0.5116976267320611
Energy: 0.5048604133618679
Energy: 0.5116976267323572
Energy: 0.4594011873788458
Energy: 0.5039647114483515
Energy: 0.4594125120294188
Energy: 0.5039647114537804
Energy: 0.45940118737015934
Energy: 0.5039647114543234

minimum gb energy = 0.43528855232679486 eV
minimum distance =  2.54945987951507 Angstroms
sigma value = 81


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

Energy: 0.5408106822948223
Energy: 0.45442938413960376
Energy: 0.5408106822944496
Energy: 0.45442938413960376
Energy: 0.5408106822944496
Energy: 0.45442938413997636
Energy: 0.4230820891154425
Energy: 0.4505642164928946
Energy: 0.4230820891158151
Energy: 0.4505642164928946
Energy: 0.42308208911469736
Energy: 0.4505642164928946
Energy: 0.4253567782658656
Energy: 0.48018927394828487
Energy: 0.4253567782647479
Energy: 0.48018927394828487
Energy: 0.4253567782647479
Energy: 0.48018927394865746
Energy: 0.43186187201025006
Energy: 0.4213492061423374
Energy: 0.43186187201062265
Energy: 0.421349206140102
Energy: 0.43186187201062265
Energy: 0.4213492061423374
Energy: 0.4493710276050642
Energy: 0.41889858282555054
Energy: 0.4493710276046916
Energy: 0.41889858282555054
Energy: 0.4493710276046916
Energy: 0.41889858282555054
Energy: 0.4478094928845119
Energy: 0.4369507277236755
Energy: 0.4478094928848844
Energy: 0.43695072772330296
Energy: 0.4478094928841393
Energy: 0.4369507277236755
Energy: 0.48830356016303067
Energy: 0.4813285400480298
Energy: 0.48830356016265797
Energy: 0.4813285400480298
Energy: 0.48830356016265797
Energy: 0.4813285400480298
Energy: 0.4484009937567256
Energy: 0.4228332473585296
Energy: 0.4484009937559804
Energy: 0.4228332473585296
Energy: 0.44840099375709813
Energy: 0.4228332473585296
Energy: 0.46612840096726593
Energy: 0.4506225869607503
Energy: 0.4661284009661483
Energy: 0.4506225869607503
Energy: 0.46612840096652086
Energy: 0.4506225869603777
Energy: 0.4477752947330692
Energy: 0.5345785834651725
Energy: 0.44777529473195155
Energy: 0.5345785834659176
Energy: 0.44777529473269667
Energy: 0.5345785834651725
Energy: 0.4482284359593132
Energy: 0.47405386902039653
Energy: 0.4482284359593132
Energy: 0.4740538690177886
Energy: 0.4482284359600583
Energy: 0.4740538690170435
Energy: 0.4856692758590586
Energy: 0.45897586031624
Energy: 0.4856692758616666
Energy: 0.45897586031624
Energy: 0.4856692758620391
Energy: 0.45897586031624
Energy: 0.42168272657053385
Energy: 0.4498012980239119
Energy: 0.42168272657090644
Energy: 0.4498012980242845
Energy: 0.42168272657053385
Energy: 0.4498012980242845
Energy: 0.45098384641962097
Energy: 0.45243954171284106
Energy: 0.45098384641962097
Energy: 0.45243954171284106
Energy: 0.4509838464192484
Energy: 0.45243954171246853
Energy: 0.5255009550252905
Energy: 0.43971460887604535
Energy: 0.5255009550252905
Energy: 0.4397146088756728
Energy: 0.525500955025663
Energy: 0.4397146088756728
Energy: 0.44832019847399834
Energy: 0.4198197199449623
Energy: 0.4483201984732533
Energy: 0.4198197199449623
Energy: 0.44832019847399834
Energy: 0.4198197199445898
Energy: 0.46923318969816274
Energy: 0.5141431915758874
Energy: 0.4692331896985352
Energy: 0.5141431915755147
Energy: 0.46923318969928035
Energy: 0.5141431915755147
Energy: 0.47603655747915685
Energy: 0.5508728551157277
Energy: 0.47603655747915685
Energy: 0.5508728551157277
Energy: 0.47603655747952933
Energy: 0.5508728551157277
Energy: 0.4515761557470848
Energy: 0.44813182281802055
Energy: 0.4515761557474573
Energy: 0.44813182281802055
Energy: 0.4515761557474573
Energy: 0.44813182281764796
Energy: 0.4318229567753985
Energy: 0.47869190934749206
Energy: 0.43182295677614363
Energy: 0.47869190934749206
Energy: 0.4318229567746534
Energy: 0.47869190934711947
Energy: 0.42057182793238773
Energy: 0.4497907255433479
Energy: 0.4205718279320152
Energy: 0.44979072554297544
Energy: 0.42057182793238773
Energy: 0.4497907255433479
Energy: 0.4457450648887729
Energy: 0.5287591319256554
Energy: 0.4457450648891455
Energy: 0.5287591319256554
Energy: 0.4457450648887729
Energy: 0.5287591319252829
Energy: 0.5312923005183463
Energy: 0.5131198318454401
Energy: 0.5312923005194639
Energy: 0.5131198318458128
Energy: 0.5312923005213267
Energy: 0.5131198318458128
Energy: 0.4220353089008223
Energy: 0.44973554521666903
Energy: 0.42203530890116103
Energy: 0.44973554521666903
Energy: 0.42203530890116103
Energy: 0.44973554521666903
Energy: 0.451684514793658
Energy: 0.46175064012200295
Energy: 0.451684514793658
Energy: 0.46175064012200295
Energy: 0.45168451479403054
Energy: 0.46175064012200295
Energy: 0.5261363801067797
Energy: 0.49515008643874364
Energy: 0.5261363801049168
Energy: 0.49515008643874364
Energy: 0.5261363801067797
Energy: 0.4951500864383711
Energy: 0.5167882264091136
Energy: 0.4322353353457491
Energy: 0.5167882264083684
Energy: 0.4322353353453766
Energy: 0.5167882264091136
Energy: 0.4322353353457491
Energy: 0.4612747091239526
Energy: 0.5225313727585453
Energy: 0.4612747091246977
Energy: 0.522531372758918
Energy: 0.46127470912507024
Energy: 0.5225313727585453
Energy: 0.4518026699399558
Energy: 0.4214721491446679
Energy: 0.4518026699407009
Energy: 0.42147214914504044
Energy: 0.4518026699407009
Energy: 0.42147214914504044
Energy: 0.45172984863827387
Energy: 0.4151636263366618
Energy: 0.45172984863827387
Energy: 0.4151636263370343
Energy: 0.451729848636411
Energy: 0.4151636263366618
Energy: 0.4325411332899909
Energy: 0.5235915837194883
Energy: 0.43254113328924576
Energy: 0.5235915837198609
Energy: 0.43254113329073596
Energy: 0.5235915837194883
Energy: 0.4185850095289416
Energy: 0.4497115700575463
Energy: 0.41858500952931416
Energy: 0.4497115700575463
Energy: 0.4185850095300593
Energy: 0.4497115700579189
Energy: 0.505273659915219
Energy: 0.47989782244503604
Energy: 0.5052736599163365
Energy: 0.4798978224446634
Energy: 0.5052736599155915
Energy: 0.4798978224446634
Energy: 0.4834209132972133
Energy: 0.49636336915643303
Energy: 0.4834209132975858
Energy: 0.49636336915643303
Energy: 0.4834209132972133
Energy: 0.4963633691560605
Energy: 0.4330211589377779
Energy: 0.5762328082454646
Energy: 0.4330211589374053
Energy: 0.5762328082473276
Energy: 0.433021158938523
Energy: 0.5762328082462098
Energy: 0.45010543085179544
Energy: 0.46621598247120555
Energy: 0.4501054308510503
Energy: 0.4662159824715781
Energy: 0.4501054308510503
Energy: 0.46621598247120555
Energy: 0.45169972551223875
Energy: 0.41979827875059483
Energy: 0.45169972551186627
Energy: 0.41979827875059483
Energy: 0.45169972551223875
Energy: 0.41979827875059483
Energy: 0.496532923023441
Energy: 0.4385647745071915
Energy: 0.4965329230238136
Energy: 0.43856477450756415
Energy: 0.4965329230245587
Energy: 0.43856477450756415

minimum gb energy = 0.4151636263366618 eV
minimum distance =  2.66477868551294 Angstroms
sigma value = 43


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

Energy: 0.5210411913368823
Energy: 0.42125448943044413
Energy: 0.5210411913373398
Energy: 0.42125448943090177
Energy: 0.5210411913368823
Energy: 0.42125448943044413
Energy: 0.4925221352973027
Energy: 0.45620266092054246
Energy: 0.4925221352973027
Energy: 0.45620266092054246
Energy: 0.4925221352973027
Energy: 0.45620266092054246
Energy: 0.4689871834238607
Energy: 0.5085287593882715
Energy: 0.4689871834243184
Energy: 0.5085287593882715
Energy: 0.49638201413679905
Energy: 0.5085287593882715
Energy: 0.49234296927996
Energy: 0.4413337980969574
Energy: 0.49234296928041765
Energy: 0.441333798097415
Energy: 0.49234296927996
Energy: 0.4413337980969574
Energy: 0.4471623760429077
Energy: 0.45065464772218344
Energy: 0.4471623760429077
Energy: 0.45065464772218344
Energy: 0.4471623760429077
Energy: 0.4506546477217258
Energy: 0.43631036881134205
Energy: 0.4355207780224481
Energy: 0.43631036881134205
Energy: 0.4355207780233633
Energy: 0.43631036881134205
Energy: 0.4355207780229057
Energy: 0.4565057175972772
Energy: 0.5329689216265172
Energy: 0.4565057175972772
Energy: 0.5329689216260596
Energy: 0.456505717596362
Energy: 0.5329689216265172
Energy: 0.46910852956001037
Energy: 0.43689828715073314
Energy: 0.46910852956001037
Energy: 0.43689828715027557
Energy: 0.46910852956001037
Energy: 0.43689828715027557
Energy: 0.4530980320906824
Energy: 0.44264141270430146
Energy: 0.4530980320906824
Energy: 0.44264141270430146
Energy: 0.4530980320906824
Energy: 0.4426414127047591
Energy: 0.4472314796425199
Energy: 0.500736696022774
Energy: 0.4472314796429776
Energy: 0.5007366960223163
Energy: 0.4472314796425199
Energy: 0.5007366960236893
Energy: 0.48631557516173474
Energy: 0.4758108791678347
Energy: 0.48631557516173474
Energy: 0.475810879167377
Energy: 0.48631557516173474
Energy: 0.4758108791678347
Energy: 0.4691414642767663
Energy: 0.43342703641621527
Energy: 0.4691414642763087
Energy: 0.43342703641621527
Energy: 0.4691414642772239
Energy: 0.43342703641621527
Energy: 0.4397617985284959
Energy: 0.5027602372755683
Energy: 0.4397617985284959
Energy: 0.5027602372760258
Energy: 0.43976179852803826
Energy: 0.5027602372755683
Energy: 0.4047979076034677
Energy: 0.5344077692458267
Energy: 0.4047979076034677
Energy: 0.5344077692458267
Energy: 0.4047979076030101
Energy: 0.5344077692458267
Energy: 0.45349980495832853
Energy: 0.44647672069724414
Energy: 0.4534998049587861
Energy: 0.44647672069724414
Energy: 0.45349980495832853
Energy: 0.44647672069724414
Energy: 0.45120660826125447
Energy: 0.4472775577047553
Energy: 0.45120660826171205
Energy: 0.4472775577047553
Energy: 0.45120660826125447
Energy: 0.4472775577047553
Energy: 0.4594349803874992
Energy: 0.4619362637643428
Energy: 0.4594349803879568
Energy: 0.4619362637648004
Energy: 0.4594349803879568
Energy: 0.4619362637648004
Energy: 0.4906388122452543
Energy: 0.45810421617665764
Energy: 0.49063881224479666
Energy: 0.45810421617665764
Energy: 0.4906388122452543
Energy: 0.45810421617665764
Energy: 0.5009445564830315
Energy: 0.43282733693560577
Energy: 0.5009445564802857
Energy: 0.43282733693560577
Energy: 0.5009445564807433
Energy: 0.43282733693560577
Energy: 0.4610205415191867
Energy: 0.4655416889537836
Energy: 0.4610205415187291
Energy: 0.4655416889537836
Energy: 0.4610205415191867
Energy: 0.4655416889537836
Energy: 0.4527159232573227
Energy: 0.4573249738421675
Energy: 0.45271592325640747
Energy: 0.4573249738421675
Energy: 0.4527159232573227
Energy: 0.4573249738421675
Energy: 0.4975448614863201
Energy: 0.4497976430567434
Energy: 0.49754486148677773
Energy: 0.4497976430567434
Energy: 0.4975448614863201
Energy: 0.4497976430567434
Energy: 0.46241413606597825
Energy: 0.47857744210404024
Energy: 0.46241413606597825
Energy: 0.47857744210404024
Energy: 0.4624141360664359
Energy: 0.47857744210404024
Energy: 0.43943151938651176
Energy: 0.5068613693905778
Energy: 0.43943151938651176
Energy: 0.5068613693910354
Energy: 0.4394315193860541
Energy: 0.5068613693910354
Energy: 0.4696121700887732
Energy: 0.4401330444514152
Energy: 0.46961217008923095
Energy: 0.4401330444514152
Energy: 0.4696121700887732
Energy: 0.4401330444514152
Energy: 0.4963769927813209
Energy: 0.4660061827242628
Energy: 0.4963769927813209
Energy: 0.4660061827242628
Energy: 0.4963769927813209
Energy: 0.46600618272472044
Energy: 0.4596313542642461
Energy: 0.47921801815241455
Energy: 0.45963135426516133
Energy: 0.47921801815241455
Energy: 0.4596313542642461
Energy: 0.47921801815241455
Energy: 0.45381126928148674
Energy: 0.44370428160723546
Energy: 0.4538112692805715
Energy: 0.44370428160723546
Energy: 0.45381126928148674
Energy: 0.44370428160723546
Energy: 0.46956606403747686
Energy: 0.43579145693278776
Energy: 0.4695660640370192
Energy: 0.43579145693278776
Energy: 0.4695660640370192
Energy: 0.43579145693278776
Energy: 0.4734435933332973
Energy: 0.5316105336604964
Energy: 0.4734435933332973
Energy: 0.5316105336600387
Energy: 0.4734435933332973
Energy: 0.5316105336600387
Energy: 0.43564256798480805
Energy: 0.435194630032229
Energy: 0.43564256798435047
Energy: 0.43519463003314424
Energy: 0.43564256798480805
Energy: 0.4351946300326866

minimum gb energy = 0.4047979076030101 eV
minimum distance =  2.65794701759361 Angstroms
sigma value = 57


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

Energy: 0.444713032697657
Energy: 0.40145361669428253
Energy: 0.44471303269647194
Energy: 0.40145361669428253
Energy: 0.4447130326970644
Energy: 0.40145361669428253
Energy: 0.4226429053447596
Energy: 0.42755198042692977
Energy: 0.42264290534357457
Energy: 0.42755198042692977
Energy: 0.4226429053447596
Energy: 0.42755198042692977
Energy: 0.4439384466026158
Energy: 0.46840386328696565
Energy: 0.44393844660202325
Energy: 0.46840386328696565
Energy: 0.4439384466026158
Energy: 0.46840386328696565
Energy: 0.5460571947378164
Energy: 0.4338824884200511
Energy: 0.5460571947372239
Energy: 0.4338824884206437
Energy: 0.5460571947372239
Energy: 0.4338824884200511
Energy: 0.4636495548764098
Energy: 0.44251416583489817
Energy: 0.4636495548758172
Energy: 0.44251416583489817
Energy: 0.4636495548764098
Energy: 0.44251416583489817
Energy: 0.44439907829838415
Energy: 0.46135780023273393
Energy: 0.4443990782977917
Energy: 0.46135780023273393
Energy: 0.4443990782977917
Energy: 0.4613578002333265
Energy: 0.5047992071675065
Energy: 0.4832862124243232
Energy: 0.5047992071675065
Energy: 0.4832862124243232
Energy: 0.5047992071675065
Energy: 0.4832862124243232
Energy: 0.4477421312856798
Energy: 0.4046543502574717
Energy: 0.4477421312862723
Energy: 0.4046543502574717
Energy: 0.4477421312862723
Energy: 0.4046543502574717
Energy: 0.43659824547140724
Energy: 0.4239203363524016
Energy: 0.43659824547140724
Energy: 0.4239203363524016
Energy: 0.4365982454708146
Energy: 0.4239203363529941
Energy: 0.4774176286142289
Energy: 0.49082138044229756
Energy: 0.47741762861363635
Energy: 0.49082138044229756
Energy: 0.47741762861363635
Energy: 0.49082138044229756
Energy: 0.4433745067589427
Energy: 0.4890493128357557
Energy: 0.44337450675953527
Energy: 0.4890493128357557
Energy: 0.44337450675835016
Energy: 0.4890493128357557
Energy: 0.4679751548579123
Energy: 0.435237520741069
Energy: 0.4679751548585048
Energy: 0.435237520741069
Energy: 0.4679751548579123
Energy: 0.435237520741069
Energy: 0.4192061554359646
Energy: 0.42377052169724533
Energy: 0.41920615543655715
Energy: 0.42377052169724533
Energy: 0.4192061554353721
Energy: 0.42377052169724533
Energy: 0.506830012475229
Energy: 0.40209200723337474
Energy: 0.506830012475229
Energy: 0.40209200723337474
Energy: 0.506830012475229
Energy: 0.40209200723337474
Energy: 0.5051995714409759
Energy: 0.40238852641723943
Energy: 0.5051995714403834
Energy: 0.40238852641723943
Energy: 0.5051995714397908
Energy: 0.40238852641723943
Energy: 0.43681528538643566
Energy: 0.4190656329448976
Energy: 0.4368152853870282
Energy: 0.4190656329448976
Energy: 0.43681528538584313
Energy: 0.41906563294549015
Energy: 0.39149458335097614
Energy: 0.4221142911229092
Energy: 0.3914945833515687
Energy: 0.4221142911223167
Energy: 0.39149458335097614
Energy: 0.4221142911229092
Energy: 0.4414966118242099
Energy: 0.4195963824686183
Energy: 0.44149661182480243
Energy: 0.4195963824686183
Energy: 0.4414966118242099
Energy: 0.4195963824686183
Energy: 0.3914356043059646
Energy: 0.42210976648063414
Energy: 0.3914356043059646
Energy: 0.42210976648122667
Energy: 0.3914356043059646
Energy: 0.42210976648063414
Energy: 0.4367849163806599
Energy: 0.4190175189534952
Energy: 0.43678491638006745
Energy: 0.4190175189534952
Energy: 0.4367849163812525
Energy: 0.4190175189534952
Energy: 0.5056267873793473
Energy: 0.40225802357837603
Energy: 0.5056267873781622
Energy: 0.40225802357837603
Energy: 0.5056267873793473
Energy: 0.40225802357896856
Energy: 0.5068184746078752
Energy: 0.4290553608084274
Energy: 0.5068184746078752
Energy: 0.4290553608090199
Energy: 0.5068184746078752
Energy: 0.4290553608084274
Energy: 0.4192489726725505
Energy: 0.42379091594215235
Energy: 0.4192489726725505
Energy: 0.42379091594215235
Energy: 0.4192489726725505
Energy: 0.42379091594215235
Energy: 0.468014133549342
Energy: 0.4352083840250019
Energy: 0.468014133549342
Energy: 0.4352083840250019
Energy: 0.4680141335499346
Energy: 0.4352083840250019

minimum gb energy = 0.3914356043059646 eV
minimum distance =  2.66268573985646 Angstroms
sigma value = 17


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

Energy: 0.44666165200964913
Energy: 0.38045697964226016
Energy: 0.44666165200964913
Energy: 0.38045697964226016
Energy: 0.44666165200964913
Energy: 0.38045697964226016
Energy: 0.4146347279307594
Energy: 0.4350698752244092
Energy: 0.4146347279307594
Energy: 0.4350698752244092
Energy: 0.4146347279307594
Energy: 0.4350698752244092
Energy: 0.4010157821506983
Energy: 0.419389977596797
Energy: 0.4010157821506983
Energy: 0.419389977597635
Energy: 0.4010157821506983
Energy: 0.419389977596797
Energy: 0.40227582083514546
Energy: 0.46456094910597956
Energy: 0.40227582083514546
Energy: 0.46456094910597956
Energy: 0.4022758208343075
Energy: 0.4645609491068175
Energy: 0.4128817710188428
Energy: 0.4317623000254619
Energy: 0.4128817710188428
Energy: 0.4317623000254619
Energy: 0.4128817710188428
Energy: 0.4317623000254619
Energy: 0.4327180023583742
Energy: 0.41616101253251403
Energy: 0.4327180023583742
Energy: 0.41616101253167603
Energy: 0.4327180023583742
Energy: 0.41616101253167603
Energy: 0.4288447396141256
Energy: 0.4463696716247747
Energy: 0.4288447396141256
Energy: 0.44636967162561264
Energy: 0.4288447396132876
Energy: 0.44636967162561264
Energy: 0.40243222913060844
Energy: 0.4541233953892214
Energy: 0.40243222912977045
Energy: 0.4541233953892214
Energy: 0.40243222912977045
Energy: 0.4541233953892214
Energy: 0.38150383314871317
Energy: 0.42026019471905673
Energy: 0.38150383314871317
Energy: 0.42026019471905673
Energy: 0.38150383314955105
Energy: 0.42026019471905673
Energy: 0.4423071234294715
Energy: 0.43647515013398036
Energy: 0.4423071234294715
Energy: 0.43647515013398036
Energy: 0.4423071234294715
Energy: 0.4364751501348184
Energy: 0.4421515659897899
Energy: 0.4228470345447961
Energy: 0.4421515659897899
Energy: 0.4228470345447961
Energy: 0.4421515659897899
Energy: 0.4228470345447961
Energy: 0.38252949642626954
Energy: 0.4163226171293703
Energy: 0.38252949642626954
Energy: 0.4163226171293703
Energy: 0.38252949642626954
Energy: 0.4163226171293703
Energy: 0.4184189166807356
Energy: 0.4223548685681681
Energy: 0.4184189166807356
Energy: 0.4223548685681681
Energy: 0.4184189166807356
Energy: 0.4223548685690061
Energy: 0.39211656052919197
Energy: 0.386257403789243
Energy: 0.39211656052919197
Energy: 0.386257403789243
Energy: 0.39211656052919197
Energy: 0.386257403789243
Energy: 0.42784186442560285
Energy: 0.46510941497363995
Energy: 0.42784186442560285
Energy: 0.46510941497363995
Energy: 0.4278418644247649
Energy: 0.46510941497363995
Energy: 0.4329495128177747
Energy: 0.42152809104195677
Energy: 0.4329495128177747
Energy: 0.42152809104279465
Energy: 0.4329495128177747
Energy: 0.42152809104111877
Energy: 0.3913073700974003
Energy: 0.38596621175202284
Energy: 0.3913073700974003
Energy: 0.38596621175202284
Energy: 0.3913073700965623
Energy: 0.38596621175202284

minimum gb energy = 0.38045697964226016 eV
minimum distance =  2.65971964977802 Angstroms
sigma value = 17


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

Energy: 0.39949624940690404
Energy: 0.36122535900988023
Energy: 0.399496249408522
Energy: 0.3612253590102038
Energy: 0.39949624940658046
Energy: 0.36122535900988023
Energy: 0.41159521895246215
Energy: 0.39683975315766373
Energy: 0.41159521895181495
Energy: 0.39683975315766373
Energy: 0.4115952189527858
Energy: 0.39683975315766373
Energy: 0.37394375441560557
Energy: 0.3966114634279027
Energy: 0.37394375441625277
Energy: 0.39661146342822634
Energy: 0.37394375441592914
Energy: 0.3966114634279027
Energy: 0.3777875198134263
Energy: 0.34943296173840654
Energy: 0.3777875198121319
Energy: 0.34943296173808297
Energy: 0.3777875198140735
Energy: 0.34943296173808297
Energy: 0.410467761778131
Energy: 0.4021907968090395
Energy: 0.41046776177780747
Energy: 0.4021907968087159
Energy: 0.41046776177845457
Energy: 0.4021907968087159
Energy: 0.35462626631762734
Energy: 0.34914557127148105
Energy: 0.35462626632021604
Energy: 0.3491455712711575
Energy: 0.35462626631762734
Energy: 0.34914557127148105
Energy: 0.3659404452776351
Energy: 0.39423181851441724
Energy: 0.365940445279253
Energy: 0.39423181851441724
Energy: 0.36594044527828223
Energy: 0.3942318185140937
Energy: 0.40966004402426676
Energy: 0.4199948032403593
Energy: 0.4096600440226488
Energy: 0.41999480324003574
Energy: 0.4096600440232959
Energy: 0.41999480324003574
Energy: 0.4108656718477021
Energy: 0.37628471204764913
Energy: 0.41086567184673134
Energy: 0.376284712047002
Energy: 0.4108656718477021
Energy: 0.3762847120473255
Energy: 0.3647044345439997
Energy: 0.37847417267041356
Energy: 0.3647044345420581
Energy: 0.37847417267041356
Energy: 0.36470443454367607
Energy: 0.37847417267041356
Energy: 0.3985332063918736
Energy: 0.43252323248124824
Energy: 0.39853320639155
Energy: 0.43252323248124824
Energy: 0.3985332063918736
Energy: 0.43252323248124824
Energy: 0.36887232884716475
Energy: 0.4088220587562086
Energy: 0.3688723288491063
Energy: 0.4088220587562086
Energy: 0.36887232884781196
Energy: 0.4088220587565322
Energy: 0.40810838740933625
Energy: 0.4031210186132571
Energy: 0.40810838740804184
Energy: 0.40312101861358074
Energy: 0.4081083874086891
Energy: 0.40312101861390437
Energy: 0.40832829090790873
Energy: 0.3904813954033939
Energy: 0.4083282909072616
Energy: 0.3904813954033939
Energy: 0.4083282909072616
Energy: 0.3904813954033939
Energy: 0.38831841728861716
Energy: 0.4110033663403148
Energy: 0.38831841728797
Energy: 0.41100336633740253
Energy: 0.3883184172876464
Energy: 0.41100336633837325
Energy: 0.38294689740304405
Energy: 0.3959232495757298
Energy: 0.3829468974023969
Energy: 0.3959232495757298
Energy: 0.3829468974027204
Energy: 0.3983417461356737
Energy: 0.3620652347552717
Energy: 0.3498883811281395
Energy: 0.3620652347559189
Energy: 0.3498883811281395
Energy: 0.3620652347539774
Energy: 0.3498883811281395
Energy: 0.4133361927842606
Energy: 0.43392543296657987
Energy: 0.4133361927855549
Energy: 0.43392543296657987
Energy: 0.4133361927832898
Energy: 0.4339254329662563
Energy: 0.4073832319094768
Energy: 0.41355508814271247
Energy: 0.4073832319094768
Energy: 0.41355508814530123
Energy: 0.40738323190882963
Energy: 0.41355508814465397
Energy: 0.3619866435454574
Energy: 0.34731332244423335
Energy: 0.3619866435454574
Energy: 0.34731332244423335
Energy: 0.36198664354513377
Energy: 0.34731332244423335
Energy: 0.40737174043397195
Energy: 0.4132015469183442
Energy: 0.40737174043558994
Energy: 0.4132015469180206
Energy: 0.40737174043397195
Energy: 0.4132015469183442
Energy: 0.4134510796441217
Energy: 0.43391228658169667
Energy: 0.41345107964347455
Energy: 0.43391228658169667
Energy: 0.41345107964347455
Energy: 0.43391228658169667
Energy: 0.3620310504276687
Energy: 0.349786277515608
Energy: 0.36203105042702144
Energy: 0.34978627751528435
Energy: 0.3620310504279923
Energy: 0.3497862775159316
Energy: 0.38294375229737043
Energy: 0.44551027792190084
Energy: 0.3829437522967233
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Energy: 0.3829437522960761
Energy: 0.44551027792190084
Energy: 0.388260282656771
Energy: 0.410945184129018
Energy: 0.3882602826564474
Energy: 0.410945184129018
Energy: 0.3882602826570946
Energy: 0.410945184129018
Energy: 0.40834457260288665
Energy: 0.3905026960205165
Energy: 0.408344572602563
Energy: 0.3905026960201929
Energy: 0.4083445726032103
Energy: 0.3905026960201929
Energy: 0.4081561993051537
Energy: 0.4030356147342842
Energy: 0.40815619930450653
Energy: 0.4030356147342842
Energy: 0.4081561993048301
Energy: 0.40303561473460775
Energy: 0.3736508112387926
Energy: 0.4089685630297325
Energy: 0.37365081124070476
Energy: 0.40896856302908535
Energy: 0.3736508112387926
Energy: 0.408968563029409
Energy: 0.39830848716868644
Energy: 0.4325462297839138
Energy: 0.39830848716998085
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Energy: 0.39830848716836287
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Energy: 0.36484004366592493
Energy: 0.36480509453946613
Energy: 0.36484004366786643
Energy: 0.36480509453946613
Energy: 0.36484004366592493
Energy: 0.3648050945391425
Energy: 0.4109287066644009
Energy: 0.3763174929331336
Energy: 0.4109287066647245
Energy: 0.37631749293281
Energy: 0.4109287066644009
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Energy: 0.41994859442145055
Energy: 0.4098437989327649
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Energy: 0.41994859442145055
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Energy: 0.3943373613302984
Energy: 0.36584396474376973
Energy: 0.394337361330622
Energy: 0.3658439647431226
Energy: 0.394337361330622
Energy: 0.3545506333561986
Energy: 0.34821906169505357
Energy: 0.35455063335716935
Energy: 0.34821906169505357
Energy: 0.3545506333565222
Energy: 0.34821906169473
Energy: 0.4106403078952943
Energy: 0.4022031946530286
Energy: 0.41064030789626504
Energy: 0.402203194652705
Energy: 0.41064030789497075
Energy: 0.402203194652705
Energy: 0.37773536039669653
Energy: 0.3493232266678017
Energy: 0.37773536039831446
Energy: 0.34932322666747806
Energy: 0.3777353603970201
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Energy: 0.3965337216433021
Energy: 0.374025094569843
Energy: 0.39653372164297856
Energy: 0.3740250945695194
Energy: 0.39653372164297856
Energy: 0.41143116159191473
Energy: 0.3948068806235322
Energy: 0.4114311615906204
Energy: 0.3948068806235322
Energy: 0.41143116159223836
Energy: 0.3948068806232086
Energy: 0.39949624940819844
Energy: 0.36122535900988023
Energy: 0.39949624940819844
Energy: 0.36122535900955666
Energy: 0.39949624940819844
Energy: 0.36122535900988023
Energy: 0.4115952189514913
Energy: 0.39683975316122316
Energy: 0.4115952189511678
Energy: 0.39683975316122316
Energy: 0.4115952189521385
Energy: 0.39683975316089964
Energy: 0.37394375441236966
Energy: 0.39661146343081505
Energy: 0.3739437544146348
Energy: 0.39661146343081505
Energy: 0.3739437544126933
Energy: 0.39661146343081505
Energy: 0.3777875198147207
Energy: 0.36499916657377307
Energy: 0.37778751981277914
Energy: 0.36499916657377307
Energy: 0.3777875198140735
Energy: 0.36499916657377307
Energy: 0.41046776177683664
Energy: 0.4021907968067744
Energy: 0.41046776177748384
Energy: 0.4021907968067744
Energy: 0.41046776177521865
Energy: 0.4021907968067744

minimum gb energy = 0.34731332244423335 eV
minimum distance =  2.61505386773039 Angstroms
sigma value = 57


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

Energy: 0.3751860786428565
Energy: 0.3393038722496775
Energy: 0.3751860786428565
Energy: 0.3393038722496775
Energy: 0.3751860786433834
Energy: 0.3393038722496775
Energy: 0.381447391925658
Energy: 0.3753515516037721
Energy: 0.381447391925658
Energy: 0.37535155160429895
Energy: 0.38144739192513116
Energy: 0.3753515516037721
Energy: 0.37154315379744773
Energy: 0.37455918701137986
Energy: 0.37154315379744773
Energy: 0.374559187010853
Energy: 0.37154315379797453
Energy: 0.37455918701137986
Energy: 0.35952070540151493
Energy: 0.3377230587685425
Energy: 0.3595207054030956
Energy: 0.3377230587685425
Energy: 0.3595207054036225
Energy: 0.33772305876906933
Energy: 0.46029292702844715
Energy: 0.3692857328185119
Energy: 0.46029292702897406
Energy: 0.3692857328185119
Energy: 0.46029292702897406
Energy: 0.3692857328185119
Energy: 0.3365931513902776
Energy: 0.3315454776953521
Energy: 0.33659315139133134
Energy: 0.3315454776948252
Energy: 0.33659315138922385
Energy: 0.3315454776953521
Energy: 0.3800356080009471
Energy: 0.37328688436809926
Energy: 0.3800356080009471
Energy: 0.37328688436809926
Energy: 0.3800356080009471
Energy: 0.37328688436809926
Energy: 0.4105557838860944
Energy: 0.3879839264072663
Energy: 0.41055578388662134
Energy: 0.38798392640673934
Energy: 0.41055578388767505
Energy: 0.38798392640673934
Energy: 0.3621181841438118
Energy: 0.33263853711480873
Energy: 0.3621181841443387
Energy: 0.3326385371158625
Energy: 0.3621181841448656
Energy: 0.3326385371174432
Energy: 0.3410406575064833
Energy: 0.36646358721970795
Energy: 0.34104065751385976
Energy: 0.36646358721970795
Energy: 0.34104065751596724
Energy: 0.36646358721970795
Energy: 0.41394491661610766
Energy: 0.4184326685819347
Energy: 0.41394491661768834
Energy: 0.4184326685814078
Energy: 0.41394491661716143
Energy: 0.4184326685819347
Energy: 0.3316458279504452
Energy: 0.3786198809174755
Energy: 0.33164582795097214
Energy: 0.3786198809169486
Energy: 0.3316458279504452
Energy: 0.3786198809169486
Energy: 0.33979443115556535
Energy: 0.3529189355962682
Energy: 0.3397944311550385
Energy: 0.3529189355962682
Energy: 0.33979443115556535
Energy: 0.3529189355967951
Energy: 0.37302953707427383
Energy: 0.3907169100455863
Energy: 0.3730295370726931
Energy: 0.39071691004611314
Energy: 0.37302953707322
Energy: 0.39071691004611314
Energy: 0.3596975369622841
Energy: 0.3976287256276761
Energy: 0.3596975369622841
Energy: 0.397628725628203
Energy: 0.3596975369622841
Energy: 0.3976287256276761
Energy: 0.3851687342863758
Energy: 0.38444926418634734
Energy: 0.3851687342879564
Energy: 0.38444926418634734
Energy: 0.38516873428584886
Energy: 0.38444926418634734
Energy: 0.39007169436189765
Energy: 0.3826674307924807
Energy: 0.3900716943608439
Energy: 0.38266743079300763
Energy: 0.3900716943608439
Energy: 0.38266743079300763
Energy: 0.36857897757237446
Energy: 0.43426112380990806
Energy: 0.3685789775734282
Energy: 0.43426112380990806
Energy: 0.3685789775718476
Energy: 0.43426112380990806
Energy: 0.37391877820534436
Energy: 0.40059254959151414
Energy: 0.373918778206925
Energy: 0.40059254959098717
Energy: 0.3739187782058712
Energy: 0.40059254959098717
Energy: 0.3744792495985669
Energy: 0.3411583639000393
Energy: 0.37447924959804
Energy: 0.3411583639000393
Energy: 0.3744792495990938
Energy: 0.3411583638995124
Energy: 0.3794617903082589
Energy: 0.41867956931451694
Energy: 0.3794617903087858
Energy: 0.41867956931399014
Energy: 0.37946179030931265
Energy: 0.41867956931451694
Energy: 0.3676162604910066
Energy: 0.402681820686918
Energy: 0.3676162604910066
Energy: 0.402681820686918
Energy: 0.36761626049047974
Energy: 0.40268182068744485
Energy: 0.3425143897118888
Energy: 0.3299746704555262
Energy: 0.34251438971136194
Energy: 0.3299746704555262
Energy: 0.342514389710835
Energy: 0.3299746704555262
Energy: 0.3796403834743785
Energy: 0.4663148229398976
Energy: 0.3796403834733246
Energy: 0.46631482294042453
Energy: 0.3796403834738516
Energy: 0.46631482294042453
Energy: 0.3932074549214618
Energy: 0.42142381884438407
Energy: 0.3932074549214618
Energy: 0.42142381884438407
Energy: 0.393207454920408
Energy: 0.42142381884438407
Energy: 0.3383692439941476
Energy: 0.33042915794600075
Energy: 0.33836924399520135
Energy: 0.33042915794600075
Energy: 0.3383692439930938
Energy: 0.33042915794600075
Energy: 0.36486169454403
Energy: 0.4004813485765911
Energy: 0.3648616945429761
Energy: 0.4004813485765911
Energy: 0.36486169454403
Energy: 0.400481348577118

minimum gb energy = 0.3299746704555262 eV
minimum distance =  2.60519125244576 Angstroms
sigma value = 43


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

Energy: 0.4010700083894424
Energy: 0.31481302008521517
Energy: 0.4010700083898263
Energy: 0.31481302008521517
Energy: 0.4010700083890585
Energy: 0.31481302008521517
Energy: 0.34123274710409207
Energy: 0.3417454010466964
Energy: 0.3412327471033243
Energy: 0.3417454010466964
Energy: 0.34123274710409207
Energy: 0.3417454010470803
Energy: 0.33157188255317094
Energy: 0.34353600697962233
Energy: 0.33157188255317094
Energy: 0.3435360069800063
Energy: 0.33157188255317094
Energy: 0.3435360069800063
Energy: 0.3888075363455502
Energy: 0.3062014395969859
Energy: 0.3888075363455502
Energy: 0.3062014395969859
Energy: 0.388807536346318
Energy: 0.30620143959736984
Energy: 0.3958717647780814
Energy: 0.33141212313381835
Energy: 0.3958717647776976
Energy: 0.33141212313420226
Energy: 0.39587176477731373
Energy: 0.33141212313420226
Energy: 0.2999537485755988
Energy: 0.30173630921671807
Energy: 0.299953748574831
Energy: 0.30173630921633415
Energy: 0.2999537485755988
Energy: 0.30173630921671807
Energy: 0.37636406882091294
Energy: 0.3262055814167881
Energy: 0.37636406882014517
Energy: 0.32620558141717204
Energy: 0.37636406882014517
Energy: 0.32620558141717204
Energy: 0.4066783187040592
Energy: 0.36048189919242446
Energy: 0.40667831870329135
Energy: 0.36048189919242446
Energy: 0.4066783187036753
Energy: 0.36048189919242446
Energy: 0.2918327134875656
Energy: 0.3015139137782223
Energy: 0.2918327134864139
Energy: 0.3015139137782223
Energy: 0.2918327134871817
Energy: 0.3015139137782223
Energy: 0.3368900615716492
Energy: 0.3165830029000348
Energy: 0.3368900615708814
Energy: 0.31658300290080266
Energy: 0.33689006157241697
Energy: 0.3165830029004188
Energy: 0.369935366812454
Energy: 0.359913427778755
Energy: 0.36993536681283795
Energy: 0.35991342777837115
Energy: 0.36993536681283795
Energy: 0.35991342777837115
Energy: 0.31456745285637744
Energy: 0.30264891374466923
Energy: 0.31456745285637744
Energy: 0.3026489137473565
Energy: 0.3145674528559936
Energy: 0.3026489137439015
Energy: 0.3360453426691616
Energy: 0.3123824030026795
Energy: 0.3360453426683938
Energy: 0.3123824030026795
Energy: 0.33604534266800995
Energy: 0.3123824030026795
Energy: 0.37240035372469776
Energy: 0.36339335407934836
Energy: 0.3724003537254656
Energy: 0.36339335407896445
Energy: 0.3724003537254656
Energy: 0.36339335407934836
Energy: 0.31952561753413244
Energy: 0.3273172562745789
Energy: 0.3195256175337486
Energy: 0.32731725627419506
Energy: 0.31952561753413244
Energy: 0.3273172562734273
Energy: 0.3136728118496819
Energy: 0.29681074823325926
Energy: 0.31367281185006574
Energy: 0.2968107482328754
Energy: 0.31367281184891405
Energy: 0.29681074823249154
Energy: 0.36965010188010633
Energy: 0.37155992083783274
Energy: 0.3696501018797224
Energy: 0.37155992083783274
Energy: 0.36965010188049024
Energy: 0.37155992083783274
Energy: 0.29460551126522505
Energy: 0.3295069053507346
Energy: 0.29460551126522505
Energy: 0.3295069053507346
Energy: 0.29460551126522505
Energy: 0.3295069053507346
Energy: 0.3296821432246451
Energy: 0.31547840396731
Energy: 0.3296821432246451
Energy: 0.31547840396731
Energy: 0.3296821432238773
Energy: 0.3154784039676939
Energy: 0.34267013754704984
Energy: 0.38632876238174674
Energy: 0.34267013754781755
Energy: 0.38632876238174674
Energy: 0.34267013754666587
Energy: 0.38632876238174674
Energy: 0.3212619886909921
Energy: 0.36834520231508366
Energy: 0.321261988691376
Energy: 0.36834520231585144
Energy: 0.3212619886906082
Energy: 0.36834520231585144
Energy: 0.3463007487056682
Energy: 0.3430002076025354
Energy: 0.3463007487056682
Energy: 0.3430002076025354
Energy: 0.3463007487052843
Energy: 0.34300020760330324
Energy: 0.33873714444938874
Energy: 0.33899633092904924
Energy: 0.33873714445092423
Energy: 0.33899633092904924
Energy: 0.33873714445054043
Energy: 0.33899633092904924
Energy: 0.3579323782465608
Energy: 0.3668725783393945
Energy: 0.3579323782469448
Energy: 0.36687257834016224
Energy: 0.35793237824579305
Energy: 0.3668725783397783
Energy: 0.3315992243712215
Energy: 0.34324559809755223
Energy: 0.33159922437083766
Energy: 0.34324559809716837
Energy: 0.33159922437083766
Energy: 0.34324559809755223
Energy: 0.33095572698065806
Energy: 0.3085663228054513
Energy: 0.33095572698027415
Energy: 0.3085663228054513
Energy: 0.3309557269810419
Energy: 0.3085663228054513
Energy: 0.29445130377117634
Energy: 0.3749138449279631
Energy: 0.29445130377117634
Energy: 0.3749138449283469
Energy: 0.2944513037707924
Energy: 0.3749138449283469
Energy: 0.3238345048961404
Energy: 0.33356088670090167
Energy: 0.32383450489652427
Energy: 0.33356088670090167
Energy: 0.32383450489652427
Energy: 0.33356088670051776
Energy: 0.2969681298421467
Energy: 0.2914265206822133
Energy: 0.2969681298417628
Energy: 0.2914265206825973
Energy: 0.2969681298421467
Energy: 0.2914265206822133
Energy: 0.3166308943709291
Energy: 0.36782443802567083
Energy: 0.3166308943716969
Energy: 0.36782443802567083
Energy: 0.3166308943709291
Energy: 0.36782443802567083
Energy: 0.333005510588973
Energy: 0.4141469519916359
Energy: 0.31732006927044176
Energy: 0.4141469519916359
Energy: 0.317320069269674
Energy: 0.4141469519916359
Energy: 0.2972624006284563
Energy: 0.28875845423382956
Energy: 0.2972624006276886
Energy: 0.28875845423344576
Energy: 0.29726240062807247
Energy: 0.28875845423344576
Energy: 0.3135201794237857
Energy: 0.40201762339453845
Energy: 0.31352017942301785
Energy: 0.40201762339453845
Energy: 0.313520179422634
Energy: 0.40201762339453845
Energy: 0.3679235896784482
Energy: 0.3677101349431146
Energy: 0.3679235896776804
Energy: 0.3677101349431146
Energy: 0.3679235896780642
Energy: 0.3677101349431146
Energy: 0.29805739262730324
Energy: 0.31295029489836
Energy: 0.2980573926269194
Energy: 0.31295029489836
Energy: 0.2980573926261516
Energy: 0.31295029489836
Energy: 0.3043515030901451
Energy: 0.33172437551827244
Energy: 0.30435150308937725
Energy: 0.3317243755186563
Energy: 0.30435150308976117
Energy: 0.3317243755186563

minimum gb energy = 0.28875845423344576 eV
minimum distance =  2.60788781420939 Angstroms
sigma value = 81


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

Energy: 0.07387833433143563
Energy: 0.09661182688655051
Energy: 0.07387833433143563
Energy: 0.09661182688669477
Energy: 0.07387833433129136
Energy: 0.09661182688640624
Energy: 0.2224588262448914
Energy: 0.074363086675896
Energy: 0.2224588262451639
Energy: 0.07436308667349173
Energy: 0.22245882624503566
Energy: 0.07436308667857273
Energy: 0.22245990232022406
Energy: 0.07451307075293379
Energy: 0.22245990232051255
Energy: 0.07451307075222853
Energy: 0.22245990232022406
Energy: 0.07451307075293379
Energy: 0.07387833433157989
Energy: 0.09661182688655051
Energy: 0.07387833433129136
Energy: 0.09661182688627802
Energy: 0.07387833433143563
Energy: 0.09661182688627802
Energy: 0.2224588262448914
Energy: 0.07436308667378023
Energy: 0.2224588262448914
Energy: 0.07436308667701799
Energy: 0.2224588262448914
Energy: 0.07436308667434123
Energy: 0.22245990232036833
Energy: 0.0745130707526613
Energy: 0.22245990232022406
Energy: 0.07451307075307805
Energy: 0.22245990232022406
Energy: 0.07451307075561053
Energy: 0.07387833433143563
Energy: 0.09661182688640624
Energy: 0.07387833433157989
Energy: 0.09661182688640624
Energy: 0.07387833433157989
Energy: 0.09661182688669477
Energy: 0.2224588262448914
Energy: 0.0743630866778675
Energy: 0.22245882624503566
Energy: 0.07436308667913373
Energy: 0.22245882624474714
Energy: 0.07436308667870097
Energy: 0.22245990232022406
Energy: 0.07451307075125081
Energy: 0.22245990232022406
Energy: 0.07451307075210031
Energy: 0.22245990232022406
Energy: 0.0745130707526613
Energy: 0.07387833433143563
Energy: 0.09661182688627802
Energy: 0.07387833433143563
Energy: 0.09661182688640624
Energy: 0.07387833433157989
Energy: 0.09661182688627802

minimum gb energy = 0.07387833433129136 eV
minimum distance =  2.83364396913203 Angstroms
sigma value = 3


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

Energy: 0.3909959699489468
Energy: 0.3050190961560296
Energy: 0.390995969949791
Energy: 0.3050190961560296
Energy: 0.39099596994936897
Energy: 0.3050190961560296
Energy: 0.3196508969983216
Energy: 0.32012702369696056
Energy: 0.3196508969983216
Energy: 0.32012702369738266
Energy: 0.31965089699916577
Energy: 0.3201270236961164
Energy: 0.35133963346402863
Energy: 0.31976400548952566
Energy: 0.35133963346402863
Energy: 0.319764005490792
Energy: 0.35133963346402863
Energy: 0.31976400548994777
Energy: 0.36428617477710756
Energy: 0.31700258212206944
Energy: 0.3642861747766854
Energy: 0.31700258212206944
Energy: 0.3642861747775296
Energy: 0.31700258212206944
Energy: 0.31763601455806545
Energy: 0.3269386182032078
Energy: 0.31763601455848756
Energy: 0.3269386182036299
Energy: 0.31763601455806545
Energy: 0.3269386182032078
Energy: 0.34590348443812696
Energy: 0.34564337771442355
Energy: 0.34590348443812696
Energy: 0.34564337771442355
Energy: 0.34590348443812696
Energy: 0.3456433777140015
Energy: 0.3517734562819715
Energy: 0.33266170648697235
Energy: 0.3517734562823937
Energy: 0.33266170648697235
Energy: 0.3517734562823937
Energy: 0.33266170648697235
Energy: 0.3112926891856612
Energy: 0.3252990250938818
Energy: 0.3112926891865055
Energy: 0.3252990250943039
Energy: 0.3112926891860834
Energy: 0.3252990250938818
Energy: 0.3476564704545909
Energy: 0.35369076434341895
Energy: 0.34765647045585724
Energy: 0.35369076434384095
Energy: 0.34765647045543513
Energy: 0.35369076434341895
Energy: 0.318106992184991
Energy: 0.3170092782836886
Energy: 0.3181069921841468
Energy: 0.3170092782836886
Energy: 0.318106992184991
Energy: 0.3170092782836886
Energy: 0.31440366966540473
Energy: 0.32395650383449826
Energy: 0.3144036696662489
Energy: 0.32395650383492036
Energy: 0.31440366966582683
Energy: 0.32395650383492036
Energy: 0.3560988618803774
Energy: 0.36942520759660546
Energy: 0.3560988618799554
Energy: 0.36942520759660546
Energy: 0.35609886188079953
Energy: 0.36942520759660546
Energy: 0.32705628779916107
Energy: 0.30754688701238714
Energy: 0.32705628779873896
Energy: 0.3075468870128093
Energy: 0.3270562877995831
Energy: 0.3075468870128093
Energy: 0.32147771189929064
Energy: 0.35035550005233185
Energy: 0.3214777119001348
Energy: 0.35035550005190974
Energy: 0.3214777118988685
Energy: 0.35035550005233185
Energy: 0.34265759861982387
Energy: 0.36869368868656394
Energy: 0.3426575986206681
Energy: 0.3686936886861418
Energy: 0.34265759861982387
Energy: 0.36869368868656394
Energy: 0.30285744518971514
Energy: 0.3126758497781733
Energy: 0.30285744518760466
Energy: 0.31267584977859536
Energy: 0.30285744518802676
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Energy: 0.3467065939367338
Energy: 0.3561254808937158
Energy: 0.3467065939358896
Energy: 0.3561254808937158
Energy: 0.34670659393715586
Energy: 0.3561254808937158
Energy: 0.321065670902199
Energy: 0.34197395510050616
Energy: 0.32106567090177685
Energy: 0.34197395510050616
Energy: 0.32106567090177685
Energy: 0.34197395510050616
Energy: 0.3220961241731083
Energy: 0.3373833395258629
Energy: 0.3220961241722641
Energy: 0.3373833395258629
Energy: 0.3220961241739525
Energy: 0.33738333952544086
Energy: 0.3205178589203878
Energy: 0.3730384994230781
Energy: 0.3205178589199657
Energy: 0.3730384994230781
Energy: 0.3205178589203878
Energy: 0.37303849942350015
Energy: 0.33347933901797444
Energy: 0.3278372776652846
Energy: 0.3334793390175524
Energy: 0.32783727766486254
Energy: 0.33347933901797444
Energy: 0.32783727766486254
Energy: 0.3308162196714957
Energy: 0.3304588027823002
Energy: 0.3308162196719178
Energy: 0.3304588027823002
Energy: 0.3308162196723399
Energy: 0.3304588027823002
Energy: 0.3251961267430142
Energy: 0.3723748811323979
Energy: 0.3251961267430142
Energy: 0.37237488113324213
Energy: 0.32519612674343623
Energy: 0.37237488113324213
Energy: 0.36536373044686865
Energy: 0.3170400386270448
Energy: 0.36536373044686865
Energy: 0.3170400386270448
Energy: 0.3653637304472908
Energy: 0.31704003862620056
Energy: 0.3542026922719875
Energy: 0.35040580370264424
Energy: 0.3542026922728317
Energy: 0.3504058037022222
Energy: 0.3542026922719875
Energy: 0.35040580370264424
Energy: 0.30626515238076696
Energy: 0.3560531587871655
Energy: 0.30626515238076696
Energy: 0.3560531587871655
Energy: 0.30626515238076696
Energy: 0.3560531587871655
Energy: 0.37451629646814466
Energy: 0.3198048319647983
Energy: 0.37451629646814466
Energy: 0.3198048319647983
Energy: 0.37451629646814466
Energy: 0.3198048319647983
Energy: 0.3492082601435179
Energy: 0.34649522030868485
Energy: 0.3492082601435179
Energy: 0.34649522030910695
Energy: 0.3492082601435179
Energy: 0.34649522030868485
Energy: 0.29518410564084074
Energy: 0.32717945553886474
Energy: 0.2951841056404187
Energy: 0.32717945553928685
Energy: 0.29518410564084074
Energy: 0.32717945553886474
Energy: 0.36384174658951235
Energy: 0.32290303897382355
Energy: 0.36384174658909024
Energy: 0.32290303897297934
Energy: 0.3638417465886682
Energy: 0.3229030389721351
Energy: 0.3505145097735297
Energy: 0.3391391304991382
Energy: 0.35051450977310766
Energy: 0.3391391304991382
Energy: 0.35051450977310766
Energy: 0.3391391304991382
Energy: 0.3124551207016204
Energy: 0.2972451499832089
Energy: 0.3124551207016204
Energy: 0.29724514998278684
Energy: 0.3124551207011983
Energy: 0.29724514998278684
Energy: 0.352000343768111
Energy: 0.3353680650511016
Energy: 0.35200034376768885
Energy: 0.3353680650511016
Energy: 0.35200034376853306
Energy: 0.3353680650515237

minimum gb energy = 0.2951841056404187 eV
minimum distance =  2.66491063588949 Angstroms
sigma value = 67


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

Energy: 0.4153916998364984
Energy: 0.3669052827221228
Energy: 0.41539169983770124
Energy: 0.3669052827227242
Energy: 0.4153916998370999
Energy: 0.3669052827221228
Energy: 0.3661826238256938
Energy: 0.36925645322451756
Energy: 0.3661826238262952
Energy: 0.36925645322451756
Energy: 0.36618262382509226
Energy: 0.36925645322391615
Energy: 0.379671699256475
Energy: 0.3711595512172497
Energy: 0.43073419198684876
Energy: 0.37115955121664823
Energy: 0.43073419198564583
Energy: 0.37115955121664823
Energy: 0.399164003818875
Energy: 0.35946229835003857
Energy: 0.3991640038200779
Energy: 0.35946229835003857
Energy: 0.3991640038194764
Energy: 0.35946229835003857
Energy: 0.3648099528283891
Energy: 0.36021886293402927
Energy: 0.364809952829592
Energy: 0.36021886293402927
Energy: 0.3648099528289906
Energy: 0.36021886293402927
Energy: 0.39432248334009506
Energy: 0.39979747359692847
Energy: 0.3943224833412979
Energy: 0.39979747359692847
Energy: 0.39432248333949355
Energy: 0.39979747359692847
Energy: 0.36813487173784454
Energy: 0.37908826971016674
Energy: 0.36813487173724313
Energy: 0.37908826971016674
Energy: 0.3681348717366416
Energy: 0.37908826971016674
Energy: 0.38397410012111965
Energy: 0.3584224767562441
Energy: 0.3839741001223225
Energy: 0.3584224767562441
Energy: 0.3839741001217211
Energy: 0.3584224767562441
Energy: 0.40787377686352466
Energy: 0.42356084217032025
Energy: 0.4078737768641261
Energy: 0.42356084217032025
Energy: 0.40787377686352466
Energy: 0.42356084217032025
Energy: 0.3433915783458044
Energy: 0.3671833040607262
Energy: 0.3433915783446015
Energy: 0.3671833040607262
Energy: 0.34339157834520295
Energy: 0.3671833040607262
Energy: 0.39239503798628245
Energy: 0.39202548869070714
Energy: 0.39239503798628245
Energy: 0.39202548869070714
Energy: 0.3923950379850797
Energy: 0.39202548869070714
Energy: 0.36332501448213905
Energy: 0.3980016141547584
Energy: 0.36332501448213905
Energy: 0.3980016141547584
Energy: 0.36332501448213905
Energy: 0.39800161415535973
Energy: 0.36542002508539934
Energy: 0.39072437499666707
Energy: 0.3654200250847979
Energy: 0.39072437499666707
Energy: 0.36542002508539934
Energy: 0.39072437499666707
Energy: 0.3656015820209276
Energy: 0.4051070391608432
Energy: 0.3656015820209276
Energy: 0.4051070391608432
Energy: 0.3656015820215291
Energy: 0.4051070391608432
Energy: 0.3691717713896825
Energy: 0.3631843282639677
Energy: 0.3691717713902839
Energy: 0.3631843282639677
Energy: 0.36917177139088536
Energy: 0.3631843282633663
Energy: 0.36675649485453615
Energy: 0.384169558118932
Energy: 0.36675649485393474
Energy: 0.38416955811833053
Energy: 0.36675649485393474
Energy: 0.38416955811833053
Energy: 0.365235525687959
Energy: 0.40429578400387983
Energy: 0.36523552568856044
Energy: 0.40429578400387983
Energy: 0.36523552568856044
Energy: 0.40429578400387983
Energy: 0.37393812742903076
Energy: 0.36191577079464
Energy: 0.37393812742903076
Energy: 0.36191577079524145
Energy: 0.3739381274284293
Energy: 0.36191577079464
Energy: 0.39480293139633144
Energy: 0.4074030085052813
Energy: 0.3948029313951286
Energy: 0.4074030085052813
Energy: 0.3948029313951286
Energy: 0.4074030085052813
Energy: 0.37369658790009247
Energy: 0.3500533460668529
Energy: 0.37369658790009247
Energy: 0.3500533460668529
Energy: 0.3736965879006939
Energy: 0.35005334606745436
Energy: 0.4148356840777755
Energy: 0.36677470504197146
Energy: 0.414835684077174
Energy: 0.36677470504197146
Energy: 0.4148356840777755
Energy: 0.36677470504197146
Energy: 0.4122022015845809
Energy: 0.40109939560299934
Energy: 0.4122022015845809
Energy: 0.4010993956023979
Energy: 0.4122022015851822
Energy: 0.40109939560299934
Energy: 0.33770426844513934
Energy: 0.3489786745406283
Energy: 0.3377042684445379
Energy: 0.3489786745406283
Energy: 0.33770426844513934
Energy: 0.34897867454002685

minimum gb energy = 0.3377042684445379 eV
minimum distance =  2.69440076188711 Angstroms
sigma value = 33


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

Energy: 0.42907429960124327
Energy: 0.37220858358589193
Energy: 0.42907429960124327
Energy: 0.37220858358589193
Energy: 0.42907429960086174
Energy: 0.37220858358589193
Energy: 0.3836743994782887
Energy: 0.3963135648567076
Energy: 0.3836743994782887
Energy: 0.39631356485708913
Energy: 0.38367439947867016
Energy: 0.3963135648567076
Energy: 0.43204792350746335
Energy: 0.3966446539208553
Energy: 0.4320479235070818
Energy: 0.39664465392009224
Energy: 0.43204792350746335
Energy: 0.3966446539204737
Energy: 0.427279997342793
Energy: 0.37983159488007523
Energy: 0.42727999734317446
Energy: 0.37983159488007523
Energy: 0.42727999734202987
Energy: 0.37983159488045676
Energy: 0.4076487097926547
Energy: 0.3964632885161305
Energy: 0.40764870979341783
Energy: 0.3964632885161305
Energy: 0.4076487097930363
Energy: 0.3964632885161305
Energy: 0.437905309702988
Energy: 0.4285724351057704
Energy: 0.437905309702988
Energy: 0.44791888348985315
Energy: 0.437905309702988
Energy: 0.44521166286289876
Energy: 0.38461107028278
Energy: 0.41472606244522076
Energy: 0.38461107028201696
Energy: 0.41472606244522076
Energy: 0.3846110702831615
Energy: 0.41472606244522076
Energy: 0.41953208530991715
Energy: 0.4206528632611367
Energy: 0.41953208530877256
Energy: 0.4206528632611367
Energy: 0.4195320853095356
Energy: 0.4206528632611367
Energy: 0.3952748258783217
Energy: 0.4335181284319666
Energy: 0.39527482587755863
Energy: 0.43351812843272963
Energy: 0.3952748258783217
Energy: 0.43351812843349274
Energy: 0.3994000171638221
Energy: 0.39687296700958263
Energy: 0.3994000171649667
Energy: 0.39687296700958263
Energy: 0.3994000171638221
Energy: 0.39687296700958263
Energy: 0.4004782246823869
Energy: 0.4229650714112518
Energy: 0.40047822468124233
Energy: 0.4229650714112518
Energy: 0.4004782246820054
Energy: 0.4229650714112518
Energy: 0.3965835473654793
Energy: 0.39354962469843696
Energy: 0.3965835473654793
Energy: 0.39354962469843696
Energy: 0.3965835473658608
Energy: 0.39354962469843696
Energy: 0.43449579042416686
Energy: 0.3756380560337899
Energy: 0.4344957904237854
Energy: 0.3756380560341714
Energy: 0.43449579042493003
Energy: 0.3756380560337899
Energy: 0.39479733863491406
Energy: 0.41954094966863936
Energy: 0.39479733863491406
Energy: 0.41954094966863936
Energy: 0.39479733863567723
Energy: 0.41954094966863936
Energy: 0.40116829315864744
Energy: 0.39857274662720116
Energy: 0.40116829315902897
Energy: 0.39857274662720116
Energy: 0.40116829315864744
Energy: 0.39857274662720116
Energy: 0.42717619405375645
Energy: 0.4257027047243726
Energy: 0.427176194054138
Energy: 0.42570270472475413
Energy: 0.427176194054138
Energy: 0.4257027047243726
Energy: 0.405134866393551
Energy: 0.3838829423130443
Energy: 0.40513486639278795
Energy: 0.3838829423126628
Energy: 0.405134866393551
Energy: 0.3838829423126628
Energy: 0.4429911983507435
Energy: 0.4211241368837876
Energy: 0.4429911983518882
Energy: 0.42112413688416916
Energy: 0.442991198350362
Energy: 0.4211241368830245
Energy: 0.3841233550756298
Energy: 0.4244316621916555
Energy: 0.38412335507486667
Energy: 0.42443166219890477
Energy: 0.38412335507524814
Energy: 0.4244316621977602
Energy: 0.4191346569520231
Energy: 0.39434683459575925
Energy: 0.41913465695164165
Energy: 0.3943468345961409
Energy: 0.41913465695240476
Energy: 0.39434683459575925
Energy: 0.4261857921107416
Energy: 0.4271597582652959
Energy: 0.4261857921107416
Energy: 0.42715975826567737
Energy: 0.42618579211150465
Energy: 0.4271597582652959
Energy: 0.40300940817027414
Energy: 0.3836212446199932
Energy: 0.403009408169511
Energy: 0.3836212446199932
Energy: 0.4030094081706556
Energy: 0.3836212446199932
Energy: 0.39556218259693243
Energy: 0.4229835671111969
Energy: 0.395562182598077
Energy: 0.4229835671111969
Energy: 0.3955621825957877
Energy: 0.4229835671111969
Energy: 0.41358574351442645
Energy: 0.39241920609245096
Energy: 0.41358574351442645
Energy: 0.39241920609245096
Energy: 0.41358574351442645
Energy: 0.39241920609245096
Energy: 0.3940234023956729
Energy: 0.3922356981716421
Energy: 0.3940234023960545
Energy: 0.3922356981720236
Energy: 0.3940234023956729
Energy: 0.3922356981720236
Energy: 0.4004380473085418
Energy: 0.42017911604993663
Energy: 0.40043804730816024
Energy: 0.42017911604993663
Energy: 0.40043804730816024
Energy: 0.42017911605031816
Energy: 0.3847367707322618
Energy: 0.38248364510059135
Energy: 0.38473677073188034
Energy: 0.38248364510059135
Energy: 0.38473677073188034
Energy: 0.38248364510059135
Energy: 0.42479978714591515
Energy: 0.42893866468962993
Energy: 0.42479978714667815
Energy: 0.42893866468924846
Energy: 0.4247997871462966
Energy: 0.42893866468962993
Energy: 0.4206380533528377
Energy: 0.39650867544849183
Energy: 0.42063805335321924
Energy: 0.3965086754488734
Energy: 0.42063805335321924
Energy: 0.39650867544849183
Energy: 0.38648606020541276
Energy: 0.416451635016949
Energy: 0.38648606020541276
Energy: 0.416451635016949
Energy: 0.38648606020541276
Energy: 0.416451635016949
Energy: 0.4379176234454427
Energy: 0.44838140637600926
Energy: 0.4379176234462058
Energy: 0.44838140637600926
Energy: 0.4379176234458243
Energy: 0.44838140637600926
Energy: 0.4070747306680561
Energy: 0.39421572895887985
Energy: 0.40707473066729294
Energy: 0.3942157289584983
Energy: 0.40707473066729294
Energy: 0.39421572895887985
Energy: 0.4166110864088318
Energy: 0.43451192765013963
Energy: 0.4166110864092134
Energy: 0.43451192765052116
Energy: 0.4166110864084503
Energy: 0.43451192765052116
Energy: 0.41044805455681926
Energy: 0.3962641498721756
Energy: 0.41044805455605615
Energy: 0.3962641498721756
Energy: 0.41044805455643774
Energy: 0.3962641498721756
Energy: 0.393046443795275
Energy: 0.3966564727195053
Energy: 0.3930464437956565
Energy: 0.39665647271912374
Energy: 0.3930464437948934
Energy: 0.3966564727195053
Energy: 0.4341577624423725
Energy: 0.37306483353024505
Energy: 0.43415776244351717
Energy: 0.37306483353062664
Energy: 0.4341577624423725
Energy: 0.37306483353062664
Energy: 0.3840061470222399
Energy: 0.39529063166010325
Energy: 0.3840061470210952
Energy: 0.3952906316597217
Energy: 0.3840061470214768
Energy: 0.3952906316597217

minimum gb energy = 0.37220858358589193 eV
minimum distance =  2.62735596251003 Angstroms
sigma value = 41


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

Energy: 0.4564547653710251
Energy: 0.4305789735427498
Energy: 0.4564547653710251
Energy: 0.4305789735427498
Energy: 0.4564547653710251
Energy: 0.4305789735427498
Energy: 0.43782116780516345
Energy: 0.44724392110995603
Energy: 0.43782116780516345
Energy: 0.44724392110995603
Energy: 0.43782116780516345
Energy: 0.44724392110995603
Energy: 0.5224239308184877
Energy: 0.4490793143136719
Energy: 0.5167181505192229
Energy: 0.4490793143136719
Energy: 0.4974867379894825
Energy: 0.4490793143136719
Energy: 0.45162735962839473
Energy: 0.486663257756594
Energy: 0.45162735962839473
Energy: 0.486663257756594
Energy: 0.45162735962839473
Energy: 0.486663257756594
Energy: 0.4760338419133121
Energy: 0.4419880412774685
Energy: 0.4760338419133121
Energy: 0.4419880412774685
Energy: 0.4760338419133121
Energy: 0.4419880412774685
Energy: 0.4794021581035149
Energy: 0.47042476659013466
Energy: 0.4794021581035149
Energy: 0.47042476658909294
Energy: 0.4794021581035149
Energy: 0.47042476659013466
Energy: 0.46232779312580335
Energy: 0.428179537185831
Energy: 0.46232779312580335
Energy: 0.428179537185831
Energy: 0.46232779312580335
Energy: 0.428179537185831
Energy: 0.4525418871871883
Energy: 0.4566787047775396
Energy: 0.4525418871871883
Energy: 0.4566787047775396
Energy: 0.45254188718614646
Energy: 0.4566787047775396
Energy: 0.445591538794347
Energy: 0.42365449809245853
Energy: 0.445591538794347
Energy: 0.42365449809245853
Energy: 0.445591538794347
Energy: 0.42365449809245853
Energy: 0.4618039334194201
Energy: 0.43230970308311417
Energy: 0.4618039334194201
Energy: 0.43230970308311417
Energy: 0.4618039334194201
Energy: 0.43230970308415584
Energy: 0.4402471762963506
Energy: 0.44896391860389956
Energy: 0.4402471762963506
Energy: 0.44896391860389956
Energy: 0.44024717629530874
Energy: 0.44896391860389956
Energy: 0.4691027307810697
Energy: 0.44703103475477435
Energy: 0.46910273078211145
Energy: 0.44703103475477435
Energy: 0.46910273078211145
Energy: 0.44703103475477435
Energy: 0.49836112594693244
Energy: 0.4891752372840658
Energy: 0.49836112594693244
Energy: 0.4891752372840658
Energy: 0.49836112594693244
Energy: 0.4891752372840658
Energy: 0.5031856747403208
Energy: 0.4457133870270288
Energy: 0.5031856747403208
Energy: 0.4457133870270288
Energy: 0.5031856747403208
Energy: 0.4457133870270288

minimum gb energy = 0.42365449809245853 eV
minimum distance =  2.6309013501722 Angstroms
sigma value = 11


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

Energy: 0.5179813887824694
Energy: 0.49269632377355876
Energy: 0.5179813887824694
Energy: 0.49269632377355876
Energy: 0.5179813887829271
Energy: 0.49269632377355876
Energy: 0.507483853376492
Energy: 0.5000659104558433
Energy: 0.507483853376492
Energy: 0.5000659104563009
Energy: 0.5074838533760344
Energy: 0.5000659104558433
Energy: 0.49635674329502844
Energy: 0.5006856375439308
Energy: 0.496356743295486
Energy: 0.5006856375439308
Energy: 0.5098598477359492
Energy: 0.5006856375439308
Energy: 0.5172839294354663
Energy: 0.4749129171484755
Energy: 0.5172839294350087
Energy: 0.4749129171484755
Energy: 0.5172839294354663
Energy: 0.4749129171484755
Energy: 0.5018393950996877
Energy: 0.5060608747717599
Energy: 0.5018393950987725
Energy: 0.5060608747717599
Energy: 0.5018393950992301
Energy: 0.5060608747717599
Energy: 0.48335178310994964
Energy: 0.5155633545673999
Energy: 0.4833517831104072
Energy: 0.5155633545673999
Energy: 0.4833517831094919
Energy: 0.5155633545673999
Energy: 0.507157768817145
Energy: 0.47735529599928156
Energy: 0.5071577688166875
Energy: 0.47735529599928156
Energy: 0.5071577688176028
Energy: 0.47735529599928156
Energy: 0.49510008681733103
Energy: 0.4909361276075993
Energy: 0.49510008681778866
Energy: 0.4909361276075993
Energy: 0.49510008681733103
Energy: 0.4909361276080569
Energy: 0.4950943959240549
Energy: 0.49114511338945527
Energy: 0.4950943959245126
Energy: 0.49114511338945527
Energy: 0.4950943959240549
Energy: 0.49114511338945527
Energy: 0.5029806280114152
Energy: 0.50958279254649
Energy: 0.5029806280109576
Energy: 0.50958279254649
Energy: 0.5029806280114152
Energy: 0.50958279254649
Energy: 0.4817216777752881
Energy: 0.5068404449987493
Energy: 0.4817216777752881
Energy: 0.5068404449992069
Energy: 0.4817216777752881
Energy: 0.5068404449987493
Energy: 0.49884789967091814
Energy: 0.5203591485932642
Energy: 0.4988478996704605
Energy: 0.5203591485932642
Energy: 0.49884789967091814
Energy: 0.5203591485932642
Energy: 0.5174618829480936
Energy: 0.5031549625240778
Energy: 0.5174618829485511
Energy: 0.5031549625240778
Energy: 0.5174618829485511
Energy: 0.5031549625240778
Energy: 0.47239173076307717
Energy: 0.5158968415931232
Energy: 0.47239173076307717
Energy: 0.5158968415931232
Energy: 0.47239173076261953
Energy: 0.5158968415931232
Energy: 0.4873220545396783
Energy: 0.48783873763243285
Energy: 0.4873220545405936
Energy: 0.48783873763243285
Energy: 0.4873220545396783
Energy: 0.48783873763243285
Energy: 0.5068848025140857
Energy: 0.47689772587247015
Energy: 0.5068848025140857
Energy: 0.4768977258729278
Energy: 0.5068848025136281
Energy: 0.47689772587247015
Energy: 0.48546696752056734
Energy: 0.5019789800487064
Energy: 0.4854669675210249
Energy: 0.5019789800487064
Energy: 0.48546696752056734
Energy: 0.5019789800487064
Energy: 0.5215267818267983
Energy: 0.519131604582756
Energy: 0.5215267818267983
Energy: 0.519131604582756
Energy: 0.5215267818263406
Energy: 0.519131604582756
Energy: 0.48822797702898285
Energy: 0.4743711180639444
Energy: 0.48822797702944043
Energy: 0.4743711180639444
Energy: 0.48822797702898285
Energy: 0.4743711180639444
Energy: 0.5022197368482927
Energy: 0.500789350822642
Energy: 0.5022197368487503
Energy: 0.500789350822642
Energy: 0.5022197368482927
Energy: 0.500789350822642
Energy: 0.47546154083111225
Energy: 0.4880586500930599
Energy: 0.47546154083202746
Energy: 0.4880586500930599
Energy: 0.47546154083202746
Energy: 0.4880586500930599
Energy: 0.5244163388373839
Energy: 0.49668032210134966
Energy: 0.5244163388382991
Energy: 0.4966803221018073
Energy: 0.5244163388378414
Energy: 0.49668032210134966
Energy: 0.4920564786154366
Energy: 0.501170350378084
Energy: 0.49205647861589424
Energy: 0.501170350378084
Energy: 0.4920564786154366
Energy: 0.501170350378084
Energy: 0.5174707000302109
Energy: 0.5003931668347479
Energy: 0.517470700031126
Energy: 0.5003931668342902
Energy: 0.5174707000302109
Energy: 0.5003931668347479
Energy: 0.49643691783449506
Energy: 0.49070277029224085
Energy: 0.49643691783403743
Energy: 0.49070277029224085
Energy: 0.49643691783403743
Energy: 0.49070277029224085
Energy: 0.4777707874864309
Energy: 0.5113609367384377
Energy: 0.4777707874864309
Energy: 0.5113609367384377
Energy: 0.4777707874859733
Energy: 0.5113609367384377
Energy: 0.4870531280765757
Energy: 0.48121264273655656
Energy: 0.4870531280770333
Energy: 0.48121264273655656
Energy: 0.4870531280770333
Energy: 0.4812126427370142
Energy: 0.5035879445194237
Energy: 0.4940916090099666
Energy: 0.5035879445198814
Energy: 0.4940916090099666
Energy: 0.5035879445189662
Energy: 0.4940916090099666
Energy: 0.47201275330904946
Energy: 0.5118138947191058
Energy: 0.4720127533095071
Energy: 0.5118138947191058
Energy: 0.47201275330904946
Energy: 0.5118138947191058
Energy: 0.4866836025036508
Energy: 0.4696687683515639
Energy: 0.4866836025036508
Energy: 0.46966876835202154
Energy: 0.48668360250319315
Energy: 0.4696687683515639
Energy: 0.5112398946038192
Energy: 0.5088397778460325
Energy: 0.5112398946042769
Energy: 0.5088397778460325
Energy: 0.5112398946038192
Energy: 0.5088397778460325

minimum gb energy = 0.4696687683515639 eV
minimum distance =  2.57873504676888 Angstroms
sigma value = 57


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

Energy: 0.4872548999203446
Energy: 0.4560593574116304
Energy: 0.4872548999211589
Energy: 0.4560593574116304
Energy: 0.4872548999203446
Energy: 0.4560593574116304
Energy: 0.4964613742559693
Energy: 0.5423547684709659
Energy: 0.4964613742559693
Energy: 0.5423547684709659
Energy: 0.4964613742559693
Energy: 0.5423547684709659
Energy: 0.49748298718261996
Energy: 0.5073298539967184
Energy: 0.4974829871818056
Energy: 0.5073298539967184
Energy: 0.4974829871818056
Energy: 0.5073298539967184
Energy: 0.49914684905528767
Energy: 0.5815426713027633
Energy: 0.49914684905447326
Energy: 0.6103942190482906
Energy: 0.49914684905447326
Energy: 0.5023169846044838
Energy: 0.49748490872304524
Energy: 0.5073162939597002
Energy: 0.49748490872223083
Energy: 0.5073162939597002
Energy: 0.49748490872304524
Energy: 0.5073162939597002
Energy: 0.4964523864461654
Energy: 0.5163582088904068
Energy: 0.4964523864461654
Energy: 0.5163582088904068
Energy: 0.4964523864469797
Energy: 0.5163582088895924
Energy: 0.4872548999203446
Energy: 0.4560593574116304
Energy: 0.4872548999203446
Energy: 0.45605935741244474
Energy: 0.4872548999203446
Energy: 0.45605935741244474
Energy: 0.496461374257598
Energy: 0.5423547684717802
Energy: 0.496461374257598
Energy: 0.5423547684717802
Energy: 0.496461374257598
Energy: 0.5423547684717802
Energy: 0.4974829871818056
Energy: 0.5073298539967184
Energy: 0.4974829871818056
Energy: 0.5073298539967184
Energy: 0.4974829871818056
Energy: 0.5073298539967184
Energy: 0.49914684905935947
Energy: 0.5023169846044838
Energy: 0.49914684905935947
Energy: 0.5023169846044838
Energy: 0.49914684905935947
Energy: 0.5023169846052982
Energy: 0.49748490872304524
Energy: 0.5073162939605146
Energy: 0.49748490872304524
Energy: 0.5073162939605146
Energy: 0.49748490872304524
Energy: 0.5073162939605146
Energy: 0.4964523864461654
Energy: 0.5408002023222316
Energy: 0.49645238644535106
Energy: 0.5408002023222316
Energy: 0.4964523864461654
Energy: 0.5408002023246746
Energy: 0.4872548999203446
Energy: 0.45605935741244474
Energy: 0.4872548999211589
Energy: 0.4560593574116304
Energy: 0.4872548999203446
Energy: 0.4560593574116304
Energy: 0.4964613742559693
Energy: 0.5423547684717802
Energy: 0.4964613742559693
Energy: 0.5423547684717802
Energy: 0.49646137425515496
Energy: 0.5423547684717802
Energy: 0.4974829871818056
Energy: 0.5073298539967184
Energy: 0.4974829871818056
Energy: 0.5073298539967184
Energy: 0.4974829871818056
Energy: 0.5073298539967184
Energy: 0.499146849056102
Energy: 0.5023169846044838
Energy: 0.49914684905528767
Energy: 0.5023169846044838
Energy: 0.49914684905528767
Energy: 0.5023169846044838
Energy: 0.49748490872304524
Energy: 0.5073162939588859
Energy: 0.49748490872223083
Energy: 0.5073162939597002
Energy: 0.49748490872304524
Energy: 0.5073162939597002

minimum gb energy = 0.4560593574116304 eV
minimum distance =  2.62119649641408 Angstroms
sigma value = 9


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

Energy: 0.4889534235454688
Energy: 0.515114410928231
Energy: 0.4889534235454688
Energy: 0.515114410928231
Energy: 0.4889534235454688
Energy: 0.515114410928231
Energy: 0.5236305653449566
Energy: 0.5223273234759012
Energy: 0.5236305653449566
Energy: 0.5223273234752361
Energy: 0.5236305653436268
Energy: 0.5223273234752361
Energy: 0.4933235109217686
Energy: 0.4937928068306386
Energy: 0.5247459219215933
Energy: 0.4937928068299737
Energy: 0.5291807770742756
Energy: 0.4937928068306386
Energy: 0.49167656395015874
Energy: 0.5714214777924271
Energy: 0.49167656395082365
Energy: 0.5714214777924271
Energy: 0.49167656395015874
Energy: 0.5714214777924271
Energy: 0.5199604609167434
Energy: 0.5047681116587565
Energy: 0.5199604609160785
Energy: 0.5047681116587565
Energy: 0.5199604609167434
Energy: 0.5047681116594214
Energy: 0.5518798024321655
Energy: 0.5098524957341258
Energy: 0.5518798024321655
Energy: 0.5098524957341258
Energy: 0.5518798024308358
Energy: 0.5098524957341258
Energy: 0.48647142478565675
Energy: 0.4981360388675976
Energy: 0.48647142478632166
Energy: 0.49813603886826247
Energy: 0.48647142478698663
Energy: 0.4981360388675976
Energy: 0.5327340439567867
Energy: 0.4982333857180999
Energy: 0.5327340439574516
Energy: 0.49823338571743503
Energy: 0.5327340439574516
Energy: 0.4982333857180999
Energy: 0.562661583040907
Energy: 0.4913239127172704
Energy: 0.5626615830402422
Energy: 0.4913239127179353
Energy: 0.5626615830395773
Energy: 0.49132391271660547
Energy: 0.4757107638872626
Energy: 0.4856911741341456
Energy: 0.4757107638872626
Energy: 0.4856911741341456
Energy: 0.4757107638872626
Energy: 0.4856911741341456
Energy: 0.5016187630563654
Energy: 0.5101547174766851
Energy: 0.5016187630550356
Energy: 0.510154717478015
Energy: 0.5016187630563654
Energy: 0.5101547174766851
Energy: 0.5158071564314719
Energy: 0.4813600355079291
Energy: 0.515807156430807
Energy: 0.4813600355079291
Energy: 0.515807156430807
Energy: 0.4813600355079291
Energy: 0.5115373109653973
Energy: 0.575113085077223
Energy: 0.5115373109667272
Energy: 0.575113085077223
Energy: 0.5115373109660623
Energy: 0.575113085077223
Energy: 0.4912198134583892
Energy: 0.49119663749632286
Energy: 0.4912198134577243
Energy: 0.49119663749632286
Energy: 0.4912198134583892
Energy: 0.49119663749632286
Energy: 0.5393346824598968
Energy: 0.49731050886324546
Energy: 0.5393346824598968
Energy: 0.49731050886324546
Energy: 0.5393346824598968
Energy: 0.4973105088625806
Energy: 0.5189415488147073
Energy: 0.513765212665083
Energy: 0.5189415488153722
Energy: 0.513765212665083
Energy: 0.5189415488153722
Energy: 0.513765212665083
Energy: 0.509909959565814
Energy: 0.5138683704786946
Energy: 0.5099099595651491
Energy: 0.5138683704786946
Energy: 0.5099099595651491
Energy: 0.5138683704786946
Energy: 0.5530526477487906
Energy: 0.4970308858922209
Energy: 0.5530526477481257
Energy: 0.497030885891556
Energy: 0.5530526477481257
Energy: 0.4970308858922209
Energy: 0.5025325711537404
Energy: 0.489096970874705
Energy: 0.5025325711550701
Energy: 0.489096970874705
Energy: 0.5025325711544053
Energy: 0.489096970874705
Energy: 0.49581109270353535
Energy: 0.5005865436851941
Energy: 0.49581109270287044
Energy: 0.5005865436845292
Energy: 0.49581109270420026
Energy: 0.5005865436851941
Energy: 0.5161972625692828
Energy: 0.48173151211002724
Energy: 0.5161972625686179
Energy: 0.48173151211002724
Energy: 0.5161972625692828
Energy: 0.48173151211002724

minimum gb energy = 0.4757107638872626 eV
minimum distance =  2.59542653801697 Angstroms
sigma value = 27


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

Energy: 0.4563598416363224
Energy: 0.507862802357661
Energy: 0.427019331114081
Energy: 0.507862802357661
Energy: 0.456359841635762
Energy: 0.5078628023604633
Energy: 0.5017367419298666
Energy: 0.44293397248644706
Energy: 0.5017367419298666
Energy: 0.44293397248644706
Energy: 0.5017367419298666
Energy: 0.4429339724825237
Energy: 0.4685665430110455
Energy: 0.4712295650402919
Energy: 0.4685665430121665
Energy: 0.4712295650402919
Energy: 0.4685665430110455
Energy: 0.4712295650402919
Energy: 0.42715894937342075
Energy: 0.5066540778231614
Energy: 0.4271589493762231
Energy: 0.5066540778231614
Energy: 0.42715894937342075
Energy: 0.5066540778254034
Energy: 0.4420305019899247
Energy: 0.49058326095133326
Energy: 0.4420305019893642
Energy: 0.49058326095133326
Energy: 0.4420305019899247
Energy: 0.49058326095301463
Energy: 0.5175487800182317
Energy: 0.42921636996535883
Energy: 0.5175487800171107
Energy: 0.42921636996535883
Energy: 0.5175487800176712
Energy: 0.4292163699676007
Energy: 0.4421856477742804
Energy: 0.49931635035532035
Energy: 0.4421856477742804
Energy: 0.49931635035532035
Energy: 0.4421856477742804
Energy: 0.49931635035812266
Energy: 0.5066316675180634
Energy: 0.4669946049751493
Energy: 0.5066316675169423
Energy: 0.4669946049751493
Energy: 0.5066316675169423
Energy: 0.4669946049734679
Energy: 0.4660138019535171
Energy: 0.4293001563691078
Energy: 0.4660138019523961
Energy: 0.4293001563691078
Energy: 0.4660138019535171
Energy: 0.42930015636854724
Energy: 0.4271283383290638
Energy: 0.4646634112706705
Energy: 0.4271283383285033
Energy: 0.46466341127011007
Energy: 0.4271283383290638
Energy: 0.46466341126730765
Energy: 0.4271051740499205
Energy: 0.4974910301521986
Energy: 0.42710517405160203
Energy: 0.49749103015163815
Energy: 0.4271051740499205
Energy: 0.49749103015275914
Energy: 0.4992317857907722
Energy: 0.42849547662714016
Energy: 0.4992317857924536
Energy: 0.42849547662714016
Energy: 0.4992317857907722
Energy: 0.4284954766305031
Energy: 0.4685088689950966
Energy: 0.5067546152304502
Energy: 0.46850886899453614
Energy: 0.5067546152304502
Energy: 0.4685088689950966
Energy: 0.5067546152337875
Energy: 0.4423669747934135
Energy: 0.46453178205120926
Energy: 0.442366974793974
Energy: 0.46453178205120926
Energy: 0.4423669747934135
Energy: 0.46453178205345114
Energy: 0.5229132376385427
Energy: 0.42923483539787416
Energy: 0.5229132376374218
Energy: 0.42923483539787416
Energy: 0.5229132376391031
Energy: 0.42923483539787416
Energy: 0.4418195136193999
Energy: 0.4671479354854871
Energy: 0.4418195136205209
Energy: 0.4671479354854871
Energy: 0.4418195136193999
Energy: 0.46714793548324524
Energy: 0.44678869983824376
Energy: 0.4726427376778536
Energy: 0.44678869983936476
Energy: 0.472642737678414
Energy: 0.44678869983824376
Energy: 0.4726427376772931
Energy: 0.5084221558209818
Energy: 0.45720914568509086
Energy: 0.5084221558198609
Energy: 0.45720914568509086
Energy: 0.5084221558209818
Energy: 0.45720914568621174
Energy: 0.49927592367103335
Energy: 0.4424902541504994
Energy: 0.46701958143570266
Energy: 0.4424902541504994
Energy: 0.49927592367103335
Energy: 0.44249025415218096
Energy: 0.4563598416363224
Energy: 0.5078628023604633
Energy: 0.4270193311146415
Energy: 0.5078628023604633
Energy: 0.4563598416363224
Energy: 0.5078628023610238
Energy: 0.501736741930427
Energy: 0.4429339724858866
Energy: 0.501736741930427
Energy: 0.4429339724858866
Energy: 0.501736741930427
Energy: 0.4429339724830842
Energy: 0.4685665430110455
Energy: 0.4712295650380499
Energy: 0.4685665430110455
Energy: 0.4712295650380499
Energy: 0.468566543011606
Energy: 0.47122956503973135
Energy: 0.4271589493728603
Energy: 0.5066540778248428
Energy: 0.42715894937566273
Energy: 0.5066540778242824
Energy: 0.42715894937229987
Energy: 0.5066540778237218
Energy: 0.4420305019893642
Energy: 0.49058326094965177
Energy: 0.4420305019888037
Energy: 0.49058326094965177
Energy: 0.4420305019893642
Energy: 0.49058326095245414
Energy: 0.5175487800176712
Energy: 0.42921636996535883
Energy: 0.5175487800171107
Energy: 0.42921636996535883
Energy: 0.5175487800176712
Energy: 0.4292163699687217

minimum gb energy = 0.427019331114081 eV
minimum distance =  2.63392846069325 Angstroms
sigma value = 19


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

Energy: 0.435695777752703
Energy: 0.5322402944261441
Energy: 0.4356957777531868
Energy: 0.5322402944261441
Energy: 0.435695777752703
Energy: 0.5322402944261441
Energy: 0.4813276036839667
Energy: 0.43070337534379194
Energy: 0.481327603683483
Energy: 0.43070337533653497
Energy: 0.4813276036839667
Energy: 0.43070337534330816
Energy: 0.5410117906812232
Energy: 0.4227829532846647
Energy: 0.5658125909784076
Energy: 0.4227829532846647
Energy: 0.5068712273946305
Energy: 0.4227829532841809
Energy: 0.41892604977457404
Energy: 0.505476219929726
Energy: 0.41892604977409026
Energy: 0.505476219929726
Energy: 0.4189260497750578
Energy: 0.505476219929726
Energy: 0.4196527506009491
Energy: 0.4778192049064739
Energy: 0.4196527506009491
Energy: 0.4778192049064739
Energy: 0.4196527506009491
Energy: 0.4778192049064739
Energy: 0.5013912351080975
Energy: 0.4213299744657998
Energy: 0.5013912351080975
Energy: 0.4213299744657998
Energy: 0.5013912351080975
Energy: 0.4213299744657998
Energy: 0.42505291380418814
Energy: 0.5016768607569022
Energy: 0.4250529138046719
Energy: 0.5016768607559347
Energy: 0.42505291380418814
Energy: 0.5016768607564185
Energy: 0.4387165025754579
Energy: 0.5095830146862299
Energy: 0.4387165025754579
Energy: 0.5095830146862299
Energy: 0.4387165025754579
Energy: 0.5095830146862299
Energy: 0.512960081097591
Energy: 0.4113346572400772
Energy: 0.5129600810971072
Energy: 0.4113346572400772
Energy: 0.5129600810971072
Energy: 0.4113346572400772
Energy: 0.4236065207640169
Energy: 0.46916174097233404
Energy: 0.4236065207698224
Energy: 0.46916174097233404
Energy: 0.42360652076498445
Energy: 0.46916174097233404
Energy: 0.41499862117861097
Energy: 0.5487289731131383
Energy: 0.4149986211776433
Energy: 0.5487289731131383
Energy: 0.41499862117861097
Energy: 0.5487289731131383
Energy: 0.5040424843262497
Energy: 0.4202000617420568
Energy: 0.5040424843267335
Energy: 0.42020006174157304
Energy: 0.5040424843262497
Energy: 0.42020006174157304
Energy: 0.45557935021645074
Energy: 0.4462213961673545
Energy: 0.45557935021596696
Energy: 0.44622139616687073
Energy: 0.45557935021596696
Energy: 0.44622139616687073
Energy: 0.42015675040075384
Energy: 0.5025941679346494
Energy: 0.42015675040172146
Energy: 0.5025941679346494
Energy: 0.42015675040075384
Energy: 0.5025941679346494
Energy: 0.4707559482334165
Energy: 0.4115567970660668
Energy: 0.4707559482339002
Energy: 0.4115567970665506
Energy: 0.4707559482334165
Energy: 0.4115567970660668
Energy: 0.5508718701913126
Energy: 0.4114294731662947
Energy: 0.5508718701903451
Energy: 0.41142947316677847
Energy: 0.5508718701908288
Energy: 0.4114294731662947
Energy: 0.4239916891933223
Energy: 0.5034509619823035
Energy: 0.4239916891933223
Energy: 0.5034509619779713
Energy: 0.4239916891933223
Energy: 0.503450961978939
Energy: 0.4592147243972556
Energy: 0.4279405181966368
Energy: 0.4592147243972556
Energy: 0.4279405181971206
Energy: 0.4592147243972556
Energy: 0.4279405181947016
Energy: 0.5146946644870544
Energy: 0.4207471008799116
Energy: 0.5146946644860867
Energy: 0.4207471008799116
Energy: 0.5146946644865705
Energy: 0.42074710088039535
Energy: 0.42517183137354414
Energy: 0.47994329912206735
Energy: 0.42517183137499553
Energy: 0.47994329912206735
Energy: 0.42517183137499553
Energy: 0.47994329912206735
Energy: 0.4105143062136011
Energy: 0.5216162820367756
Energy: 0.4105143062136011
Energy: 0.5216162820362918
Energy: 0.4105143062131173
Energy: 0.5216162820362918
Energy: 0.5155536061505256
Energy: 0.42208406276243937
Energy: 0.5155536061510093
Energy: 0.42208406276195565
Energy: 0.5155536061510093
Energy: 0.42208406276195565
Energy: 0.48633460617297886
Energy: 0.46134149720096984
Energy: 0.48633460617297886
Energy: 0.46134149720096984
Energy: 0.48633460617297886
Energy: 0.46134149720096984
Energy: 0.43536231043956775
Energy: 0.5293228812173774
Energy: 0.43536231044005164
Energy: 0.5293228812173774
Energy: 0.435362310439084
Energy: 0.5293228812173774
Energy: 0.4812050476933425
Energy: 0.4221118855623682
Energy: 0.4812050476938262
Energy: 0.4221118855614007
Energy: 0.4812050476933425
Energy: 0.4221118855633359
Energy: 0.4821198508889786
Energy: 0.42588106362790384
Energy: 0.4821198508884948
Energy: 0.42588106362790384
Energy: 0.48211985088946235
Energy: 0.42588106362742
Energy: 0.41344866241077655
Energy: 0.49686008359527467
Energy: 0.41344866240980904
Energy: 0.49686008359527467
Energy: 0.41344866240980904
Energy: 0.4968600835947908
Energy: 0.49072463287801876
Energy: 0.4208223472489123
Energy: 0.49072463287898627
Energy: 0.4208223472493961
Energy: 0.49072463287801876
Energy: 0.42082234724794476
Energy: 0.4890603424895976
Energy: 0.4207567279455631
Energy: 0.48906034248863
Energy: 0.4207567279455631
Energy: 0.4890603424895976
Energy: 0.4207567279455631

minimum gb energy = 0.4105143062131173 eV
minimum distance =  2.5988382264946 Angstroms
sigma value = 101


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

Energy: 0.41234987388642597
Energy: 0.5068244952765587
Energy: 0.41234987388685124
Energy: 0.5068244952765587
Energy: 0.41234987388642597
Energy: 0.5068244952761335
Energy: 0.4133634441418606
Energy: 0.40199626841897773
Energy: 0.4133634441422858
Energy: 0.4019962684181272
Energy: 0.4133634441418606
Energy: 0.40199626841897773
Energy: 0.5072461223373933
Energy: 0.4000988699792494
Energy: 0.5072461223365428
Energy: 0.4000988699792494
Energy: 0.5072461223373933
Energy: 0.4000988699792494
Energy: 0.39019306275444854
Energy: 0.5593194963974317
Energy: 0.3901930627548738
Energy: 0.5721786932870414
Energy: 0.3901930627548738
Energy: 0.5352438085391024
Energy: 0.3979642944453958
Energy: 0.4600381853392596
Energy: 0.39796429444497056
Energy: 0.4600381853392596
Energy: 0.3979642944466717
Energy: 0.4600381853392596
Energy: 0.49912691744560594
Energy: 0.3942977901167103
Energy: 0.4991269174460313
Energy: 0.3942977901167103
Energy: 0.49912691744560594
Energy: 0.3942977901167103
Energy: 0.4023595337240984
Energy: 0.5217434676930051
Energy: 0.4023595337228225
Energy: 0.5217434676930051
Energy: 0.4023595337232478
Energy: 0.5217434676934303
Energy: 0.3949455185257937
Energy: 0.5263874136399673
Energy: 0.3949455185257937
Energy: 0.5741456292418559
Energy: 0.3949455185257937
Energy: 0.46657667799929403
Energy: 0.4976102549966161
Energy: 0.3948967164982576
Energy: 0.4976102549966161
Energy: 0.39489671649783226
Energy: 0.4976102549966161
Energy: 0.3948967164982576
Energy: 0.3980133907396906
Energy: 0.3981013299662105
Energy: 0.3980133907392652
Energy: 0.3981013299662105
Energy: 0.39801339073883996
Energy: 0.4126517789013697
Energy: 0.3888703697275649
Energy: 0.5233262251770497
Energy: 0.3888703697275649
Energy: 0.5233262251766245
Energy: 0.3888703697279902
Energy: 0.5233262251766245
Energy: 0.5193434318083099
Energy: 0.40197632545545137
Energy: 0.5193434318078847
Energy: 0.4019763254563019
Energy: 0.5193434318087351
Energy: 0.40197632545502615
Energy: 0.48143509440241716
Energy: 0.3997356505536186
Energy: 0.48143509440241716
Energy: 0.3997356505540439
Energy: 0.48143509440199184
Energy: 0.3997356505540439
Energy: 0.4148355424117149
Energy: 0.5074474317567623
Energy: 0.4148355424117149
Energy: 0.5307950011937639
Energy: 0.41483554241128956
Energy: 0.5163403128845562
Energy: 0.41303033402818423
Energy: 0.45217854234088295
Energy: 0.4130303340273337
Energy: 0.4521785423417335
Energy: 0.4130303340273337
Energy: 0.4521785423413083
Energy: 0.497952715420415
Energy: 0.40125553025270555
Energy: 0.4979527154199897
Energy: 0.40125553025270555
Energy: 0.4979527154199897
Energy: 0.40125553025270555
Energy: 0.38944569940399737
Energy: 0.5242189788784268
Energy: 0.38944569940357204
Energy: 0.5242189788784268
Energy: 0.38944569940357204
Energy: 0.5242189788780015
Energy: 0.38895375209252375
Energy: 0.4594926258972869
Energy: 0.38895375209209854
Energy: 0.4594926258977121
Energy: 0.3889537520933743
Energy: 0.4594926258972869
Energy: 0.49814080065470234
Energy: 0.394566301103848
Energy: 0.49814080065597816
Energy: 0.39456630110427326
Energy: 0.49814080065512756
Energy: 0.394566301103848
Energy: 0.40220713448545126
Energy: 0.39791477856898744
Energy: 0.4022071344846007
Energy: 0.39791477856601043
Energy: 0.40220713448545126
Energy: 0.39791477856771157
Energy: 0.39633989612627046
Energy: 0.5654813738934151
Energy: 0.39633989612754633
Energy: 0.5654813738929899
Energy: 0.39633989612669585
Energy: 0.5654813738929899
Energy: 0.5583354715480859
Energy: 0.3943800845803783
Energy: 0.5583354715472353
Energy: 0.3943800845808036
Energy: 0.5583354715476606
Energy: 0.3943800845808036
Energy: 0.4594102743652425
Energy: 0.39415838975298706
Energy: 0.4594102743677942
Energy: 0.39415838975298706
Energy: 0.4594102743656678
Energy: 0.39415838975298706
Energy: 0.390070030220968
Energy: 0.4917090093502782
Energy: 0.39007003022054265
Energy: 0.49170900935070344
Energy: 0.39007003022139325
Energy: 0.4917090093502782
Energy: 0.4373715687385701
Energy: 0.4171739698112113
Energy: 0.4373715687402712
Energy: 0.4171739698112113
Energy: 0.4373715687398459
Energy: 0.417173969810786
Energy: 0.5147676695732808
Energy: 0.4012845237113441
Energy: 0.5147676695745568
Energy: 0.4012845237117694
Energy: 0.5147676695737061
Energy: 0.4012845237113441
Energy: 0.4124383525943677
Energy: 0.5072364707737431
Energy: 0.41243835259649414
Energy: 0.5072364707737431
Energy: 0.4124383525943677
Energy: 0.5072364707737431
Energy: 0.41286493683368697
Energy: 0.46224708061963166
Energy: 0.4128649368362386
Energy: 0.46224708061920633
Energy: 0.4128649368349627
Energy: 0.46224708061963166
Energy: 0.49148950755748094
Energy: 0.39975675367199887
Energy: 0.49148950755748094
Energy: 0.3997567536715736
Energy: 0.49148950755748094
Energy: 0.3997567536715736
Energy: 0.38904689634693124
Energy: 0.4211041434286726
Energy: 0.389046896348207
Energy: 0.4211041434286726
Energy: 0.3890468963465059
Energy: 0.4211041434303737
Energy: 0.38955042521179484
Energy: 0.502740894282337
Energy: 0.3895504252109443
Energy: 0.502740894282337
Energy: 0.38955042521136957
Energy: 0.502740894282337
Energy: 0.5002879693498402
Energy: 0.39416670703925677
Energy: 0.5002879693502655
Energy: 0.39416670703925677
Energy: 0.5002879693498402
Energy: 0.39416670703925677
Energy: 0.48949221120856473
Energy: 0.3939992545570045
Energy: 0.4894922112072888
Energy: 0.3939992545570045
Energy: 0.48949221120813935
Energy: 0.3939992545574298

minimum gb energy = 0.3888703697275649 eV
minimum distance =  2.61827899844572 Angstroms
sigma value = 33


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

Energy: 0.011494437193342021
Energy: 0.5990372249457315
Energy: 0.011494437193342021
Energy: 0.5990372249447108
Energy: 0.011494437193342021
Energy: 0.5990372249457315
Energy: 0.012080645652768415
Energy: 0.17537365385063297
Energy: 0.01208064565310214
Energy: 0.17537365385063297
Energy: 0.01208064565310214
Energy: 0.17537365385063297
Energy: 0.5894936620838616
Energy: 0.17468844896293814
Energy: 0.5894936620893777
Energy: 0.17468844896466565
Energy: 0.589493662096641
Energy: 0.17468844896362523
Energy: 0.012080645652768415
Energy: 0.1753736538513397
Energy: 0.012080645652415064
Energy: 0.17537365385167342
Energy: 0.012080645652415064
Energy: 0.1753736538513397

minimum gb energy = 0.011494437193342021 eV
minimum distance =  2.83799309400567 Angstroms
sigma value = 1