Model name: model_name=EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_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=4.049763545393944
cohesive_energy=3.3185781967567785
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: 0.0 eV

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

Energy: 0.010218318887975227
Energy: 0.36916284846615816
Energy: 0.010218318887975227
Energy: 0.3691628484659083
Energy: 0.010218318887975227
Energy: 0.3691628484659083
Energy: 0.36916284846565833
Energy: 0.291703750695181
Energy: 0.36916284846615816
Energy: 0.3830916191037419
Energy: 0.3691628484659083
Energy: 0.3830916191039918
Energy: 0.010218318887753104
Energy: 0.3691628484659083
Energy: 0.010218318887975227
Energy: 0.36916284846565833
Energy: 0.010218318887975227
Energy: 0.3691628484659083
Energy: 0.3691628484659083
Energy: 0.3830916191035198
Energy: 0.36916284846565833
Energy: 0.3830916191032699
Energy: 0.3691628484659083
Energy: 0.3830916191032699
Energy: 0.010218318887753104
Energy: 0.36916284846565833
Energy: 0.010218318887753104
Energy: 0.3691628484659083
Energy: 0.010218318887975227
Energy: 0.3691628484659083
Energy: 0.3691628484659083
Energy: 0.3830916191035198
Energy: 0.36916284846565833
Energy: 0.3830916191032699
Energy: 0.3691628484659083
Energy: 0.3830916191039918

minimum gb energy = 0.010218318887753104 eV
minimum distance =  2.65749778208197 Angstroms
sigma value = 1


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

Energy: 0.4563988653996985
Energy: 0.43215206809842704
Energy: 0.4563988653996985
Energy: 0.43215206809902856
Energy: 0.4563988653996985
Energy: 0.43215206809902856
Energy: 0.4974893841306039
Energy: 0.4060191115653422
Energy: 0.4974893841294009
Energy: 0.4060191115653422
Energy: 0.4974893841306039
Energy: 0.4060191115653422
Energy: 0.4560293641604872
Energy: 0.4554430762053625
Energy: 0.4560293641598857
Energy: 0.45544307620476093
Energy: 0.4560293641604872
Energy: 0.4554430762053625
Energy: 0.4845238015514302
Energy: 0.42459149376091304
Energy: 0.48452380155082864
Energy: 0.4245914937603116
Energy: 0.48452380155082864
Energy: 0.42459149376091304
Energy: 0.43669532960721824
Energy: 0.47917630321688937
Energy: 0.43669532960721824
Energy: 0.47917630321688937
Energy: 0.43669532960781965
Energy: 0.47917630321688937
Energy: 0.45726206465366476
Energy: 0.4177333652661013
Energy: 0.4572620646530632
Energy: 0.4177333652661013
Energy: 0.4572620646530632
Energy: 0.4177333652661013
Energy: 0.422423561461059
Energy: 0.44908821645284414
Energy: 0.422423561461059
Energy: 0.4490882164534457
Energy: 0.4224235614604575
Energy: 0.44908821645284414
Energy: 0.424374235713831
Energy: 0.48308788768495
Energy: 0.4243742357132294
Energy: 0.48308788768495
Energy: 0.424374235713831
Energy: 0.48308788768495
Energy: 0.4661744288502486
Energy: 0.45250329641833664
Energy: 0.4661744288496471
Energy: 0.45250329641833664
Energy: 0.4661744288502486
Energy: 0.45250329641833664
Energy: 0.3992856019259029
Energy: 0.4778702989528717
Energy: 0.3992856019259029
Energy: 0.4778702989552778
Energy: 0.3992856019259029
Energy: 0.47787029895227023
Energy: 0.45353048421915126
Energy: 0.41262347505915387
Energy: 0.45353048421975284
Energy: 0.41262347505915387
Energy: 0.45353048421915126
Energy: 0.41262347505915387
Energy: 0.3933846219376254
Energy: 0.4655755987726009
Energy: 0.3933846219376254
Energy: 0.46557559877741295
Energy: 0.3933846219370239
Energy: 0.4655755987726009
Energy: 0.5039869674867554
Energy: 0.38976064704499175
Energy: 0.5039869674873569
Energy: 0.3897606470443902
Energy: 0.503986967486154
Energy: 0.3897606470443902
Energy: 0.41879977891484366
Energy: 0.42663268749145805
Energy: 0.41879977891484366
Energy: 0.42663268749145805
Energy: 0.41879977891424214
Energy: 0.4266326874908565
Energy: 0.5120410615293074
Energy: 0.40515716182535644
Energy: 0.5120410615281044
Energy: 0.40515716182535644
Energy: 0.5120410615293074
Energy: 0.40515716182535644
Energy: 0.5062931552676029
Energy: 0.45841920256328306
Energy: 0.5062931552682044
Energy: 0.4584192025638845
Energy: 0.5062931552682044
Energy: 0.4584192025626815
Energy: 0.44500786622942523
Energy: 0.44834703207763676
Energy: 0.4450078662288237
Energy: 0.44834703207763676
Energy: 0.4450078662300267
Energy: 0.4483470320770352
Energy: 0.44499421774711206
Energy: 0.42585308374335024
Energy: 0.444994217745909
Energy: 0.42585308374455316
Energy: 0.4449942177453075
Energy: 0.4258530837439517
Energy: 0.4413690634260122
Energy: 0.42452574795128173
Energy: 0.44136906342661375
Energy: 0.42452574795068027
Energy: 0.44136906342661375
Energy: 0.42452574795188325
Energy: 0.4645088959993444
Energy: 0.4177280357847187
Energy: 0.4645088959987429
Energy: 0.4177280357847187
Energy: 0.4645088959993444
Energy: 0.4177280357847187
Energy: 0.4090316100818468
Energy: 0.4831929581461898
Energy: 0.40903161008006966
Energy: 0.4831929581455883
Energy: 0.4090316100818468
Energy: 0.4831929581455883
Energy: 0.45905520615621137
Energy: 0.4498496185383261
Energy: 0.45905520615560985
Energy: 0.4498496185383261
Energy: 0.45905520615621137
Energy: 0.4498496185383261
Energy: 0.3970927673717152
Energy: 0.4842374356881737
Energy: 0.3970927673717152
Energy: 0.4842374356881737
Energy: 0.3970927673717152
Energy: 0.48423743568757216

minimum gb energy = 0.3897606470443902 eV
minimum distance =  2.58348814307474 Angstroms
sigma value = 33


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

Energy: 0.4911915342494772
Energy: 0.4856051994810272
Energy: 0.4544096673165404
Energy: 0.4856051994813693
Energy: 0.4911915342494772
Energy: 0.4856051994823957
Energy: 0.48934377076451524
Energy: 0.4257485738714607
Energy: 0.48934377076280455
Energy: 0.42574857387111864
Energy: 0.48934377076451524
Energy: 0.42574857386975
Energy: 0.42064089289760653
Energy: 0.42736626235736036
Energy: 0.4206408928972645
Energy: 0.42736626235736036
Energy: 0.42064089289760653
Energy: 0.42736626235701825
Energy: 0.5181007927862036
Energy: 0.4694621569948951
Energy: 0.5181007927851772
Energy: 0.46946215699523713
Energy: 0.5181007927862036
Energy: 0.46946215699523713
Energy: 0.4552227947581062
Energy: 0.4445582546982433
Energy: 0.4552227947560534
Energy: 0.4445582546979012
Energy: 0.45522279475776406
Energy: 0.44455825469755905
Energy: 0.4416730281139655
Energy: 0.418999313048376
Energy: 0.44167302811054415
Energy: 0.418999313048376
Energy: 0.4416730281146498
Energy: 0.4189993130473496
Energy: 0.4902196559671381
Energy: 0.4545397198681832
Energy: 0.49021965596440104
Energy: 0.45453971986886754
Energy: 0.4902196559671381
Energy: 0.4545397198681832
Energy: 0.3894410080161534
Energy: 0.49164187989225816
Energy: 0.38944100801546916
Energy: 0.491641879891916
Energy: 0.3894410080161534
Energy: 0.4916418798905475
Energy: 0.4090275811034208
Energy: 0.419607184313903
Energy: 0.40902758110239446
Energy: 0.419607184313903
Energy: 0.4090275811037629
Energy: 0.4196071843149294
Energy: 0.41571295414980797
Energy: 0.45882898699508823
Energy: 0.41571815042218285
Energy: 0.45882898699577246
Energy: 0.41571295414946585
Energy: 0.458828986999536
Energy: 0.4766106792219097
Energy: 0.41332845130753504
Energy: 0.4766106791835904
Energy: 0.41332845130753504
Energy: 0.4766106791887224
Energy: 0.4133284513082194
Energy: 0.41895517476797695
Energy: 0.44337634922262625
Energy: 0.4189340468308398
Energy: 0.44337634922262625
Energy: 0.41895517476797695
Energy: 0.44337634922331054
Energy: 0.4553878500667179
Energy: 0.41654597425041834
Energy: 0.49168778179309397
Energy: 0.41654597425076056
Energy: 0.45538785006637583
Energy: 0.41654597424939194
Energy: 0.45899952320441323
Energy: 0.48770885827627414
Energy: 0.49557659489384737
Energy: 0.48770885827695837
Energy: 0.4589995232047554
Energy: 0.4877088582773006
Energy: 0.4590084326086873
Energy: 0.42821347264563686
Energy: 0.4590084326138194
Energy: 0.4282134726449527
Energy: 0.4590084326097137
Energy: 0.4282134726449527
Energy: 0.4190208519251487
Energy: 0.42671157689577077
Energy: 0.4190208519251487
Energy: 0.42671157689611294
Energy: 0.41902085192549077
Energy: 0.4267115768967972
Energy: 0.5206383749975154
Energy: 0.4640830552512961
Energy: 0.5206383749968311
Energy: 0.46408305525095406
Energy: 0.5206383749975154
Energy: 0.4640830552506119
Energy: 0.4530481630482132
Energy: 0.4187308707403359
Energy: 0.45304816305266093
Energy: 0.418730870740678
Energy: 0.4530481630485553
Energy: 0.41873087074102017
Energy: 0.44177102572879257
Energy: 0.4401555535268866
Energy: 0.44177102572879257
Energy: 0.4401555535272288
Energy: 0.4417710257281082
Energy: 0.4401555535272288
Energy: 0.4864044234967057
Energy: 0.4555050265422622
Energy: 0.4864044234963636
Energy: 0.4555050265422622
Energy: 0.48640442349704793
Energy: 0.4555050265422622
Energy: 0.38734406963300155
Energy: 0.49170687845227956
Energy: 0.3873440696323173
Energy: 0.49170687845364813
Energy: 0.38734406963300155
Energy: 0.4917068784526217
Energy: 0.4268002894257486
Energy: 0.4207624157009309
Energy: 0.4268002894260908
Energy: 0.4207624157009309
Energy: 0.42680028942780146
Energy: 0.42076241570161516
Energy: 0.4120472288577363
Energy: 0.4596955586816073
Energy: 0.41204634196921286
Energy: 0.45969555868468653
Energy: 0.4120472288573942
Energy: 0.4596955586863972
Energy: 0.5084052702521639
Energy: 0.45618867646161126
Energy: 0.5084052702504532
Energy: 0.45618867646161126
Energy: 0.5084052702521639
Energy: 0.45618867646161126
Energy: 0.42060215129747114
Energy: 0.44220781329515235
Energy: 0.4204766750915995
Energy: 0.44220781329583664
Energy: 0.42060215129747114
Energy: 0.4422078132954946
Energy: 0.4916954464469392
Energy: 0.4827601224892894
Energy: 0.4546409577537749
Energy: 0.4827601224886051
Energy: 0.4916954464459128
Energy: 0.4827601224910001
Energy: 0.49120723889719226
Energy: 0.46409918662244243
Energy: 0.4546696458834028
Energy: 0.4640991866238109
Energy: 0.49120723889719226
Energy: 0.4640991866221002
Energy: 0.42148916352400156
Energy: 0.42741593753699325
Energy: 0.42148916352297516
Energy: 0.42741593753733537
Energy: 0.42148916352400156
Energy: 0.4274159375345983
Energy: 0.46070706887758095
Energy: 0.42722435816269183
Energy: 0.4607070688755281
Energy: 0.42722435816269183
Energy: 0.46070706887484386
Energy: 0.42722435816166543
Energy: 0.41226459079596356
Energy: 0.5329940061857772
Energy: 0.4122645907956214
Energy: 0.5329940061857772
Energy: 0.41226459079630573
Energy: 0.5329940061861194
Energy: 0.45329153798766153
Energy: 0.4195198753106983
Energy: 0.4532915379873194
Energy: 0.41951987531035617
Energy: 0.4532915379900565
Energy: 0.419519875312409
Energy: 0.4151613672801277
Energy: 0.45599488033909874
Energy: 0.41516136727841696
Energy: 0.4559948803353353
Energy: 0.4151613672801277
Energy: 0.45599488033465096
Energy: 0.48622021417269584
Energy: 0.45550352914712455
Energy: 0.48622021417338007
Energy: 0.45550352914712455
Energy: 0.48622021417269584
Energy: 0.45550352914746667
Energy: 0.4280273722372964
Energy: 0.4586118984686186
Energy: 0.42802737224277065
Energy: 0.45861189846793426
Energy: 0.4280273722376386
Energy: 0.4586118984675922
Energy: 0.42767098744013227
Energy: 0.4192575533547255
Energy: 0.4276709874408165
Energy: 0.4192575533543834
Energy: 0.42767098743979004
Energy: 0.41925755335506765
Energy: 0.46619898258857373
Energy: 0.5139609817216172
Energy: 0.46619898258857373
Energy: 0.5139609817216172
Energy: 0.46619898258857373
Energy: 0.5139609817202486
Energy: 0.41855213380010425
Energy: 0.4531341349357246
Energy: 0.418668705876891
Energy: 0.4531341349353824
Energy: 0.41855213380010425
Energy: 0.453134134936751
Energy: 0.4403304400239137
Energy: 0.44274402944811114
Energy: 0.43015027273044204
Energy: 0.44274402944879543
Energy: 0.4403304400239137
Energy: 0.4427440294474269
Energy: 0.459072182980614
Energy: 0.48833570104850677
Energy: 0.49571437496472753
Energy: 0.4883357010481646
Energy: 0.459072182980614
Energy: 0.4883357010495332
Energy: 0.4917092884753876
Energy: 0.3882482220656734
Energy: 0.49170928847949325
Energy: 0.3882482220656734
Energy: 0.4917092884743612
Energy: 0.388248222064647
Energy: 0.41890530370729806
Energy: 0.4077336876959202
Energy: 0.41890530370764023
Energy: 0.40773368769626234
Energy: 0.41890530370729806
Energy: 0.4077336876976309

minimum gb energy = 0.3873440696323173 eV
minimum distance =  2.68853341213133 Angstroms
sigma value = 51


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

Energy: 0.4475648464246889
Energy: 0.4536407011985783
Energy: 0.4475648464246889
Energy: 0.45364070119778555
Energy: 0.4475648464246889
Energy: 0.45364070119778555
Energy: 0.4786404100898716
Energy: 0.42832185984278776
Energy: 0.478640410089079
Energy: 0.42832185984278776
Energy: 0.478640410089079
Energy: 0.42832185984278776
Energy: 0.4298760570810207
Energy: 0.4493564072869443
Energy: 0.42987605708181353
Energy: 0.4493564072845661
Energy: 0.42987605708181353
Energy: 0.4493564072845661
Energy: 0.44764062487214623
Energy: 0.39989358597477953
Energy: 0.44764062487214623
Energy: 0.39989358597477953
Energy: 0.44764062487214623
Energy: 0.39989358597477953
Energy: 0.4571409000020272
Energy: 0.4346021068600954
Energy: 0.4571409000020272
Energy: 0.4346021068600954
Energy: 0.4571409000020272
Energy: 0.4346021068600954
Energy: 0.4543703277684188
Energy: 0.434344169653998
Energy: 0.4543703277684188
Energy: 0.4343441696532053
Energy: 0.4543703277676261
Energy: 0.434344169653998
Energy: 0.4337303220326954
Energy: 0.4343859255581534
Energy: 0.4337303220326954
Energy: 0.4343859255581534
Energy: 0.4337303220326954
Energy: 0.4343859255581534
Energy: 0.41358600740242024
Energy: 0.43477019453346155
Energy: 0.41358600740242024
Energy: 0.43477019453346155
Energy: 0.41358600740242024
Energy: 0.43477019453346155
Energy: 0.5137769256305323
Energy: 0.3981006936982562
Energy: 0.513776925631325
Energy: 0.3981006936982562
Energy: 0.513776925631325
Energy: 0.3981006936982562
Energy: 0.4084191741126958
Energy: 0.4580332509058835
Energy: 0.4084191741126958
Energy: 0.4580332509050908
Energy: 0.4084191741126958
Energy: 0.45803325090429803
Energy: 0.4696141090982522
Energy: 0.39701020603618165
Energy: 0.4696141090990449
Energy: 0.39701020603618165
Energy: 0.4696141090982522
Energy: 0.39701020603618165
Energy: 0.44884663603614006
Energy: 0.4544362931731213
Energy: 0.44884663603614006
Energy: 0.4544362931731213
Energy: 0.44884663603614006
Energy: 0.4544362931731213
Energy: 0.4770619337339047
Energy: 0.42887179147146615
Energy: 0.4770619337339047
Energy: 0.42887179147146615
Energy: 0.477061933733112
Energy: 0.42887179147146615
Energy: 0.42983126325562976
Energy: 0.4193320855815316
Energy: 0.42983126325562976
Energy: 0.4193320855815316
Energy: 0.42983126325562976
Energy: 0.4193320855823244
Energy: 0.44727722394067104
Energy: 0.4521597955601246
Energy: 0.44727722393987823
Energy: 0.4521597955601246
Energy: 0.44727722394067104
Energy: 0.4521597955601246
Energy: 0.4547855306075732
Energy: 0.43431471932966936
Energy: 0.4547855306075732
Energy: 0.43431471932966936
Energy: 0.4547855306075732
Energy: 0.43431471932966936
Energy: 0.45461685696418963
Energy: 0.4675088743324883
Energy: 0.45461685696498244
Energy: 0.4675088743324883
Energy: 0.45461685696498244
Energy: 0.4675088743324883
Energy: 0.4454676736884327
Energy: 0.4365034281407692
Energy: 0.44546767368922546
Energy: 0.4365034281407692
Energy: 0.44546767368922546
Energy: 0.4365034281407692

minimum gb energy = 0.39701020603618165 eV
minimum distance =  2.57856630190623 Angstroms
sigma value = 19


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

Energy: 0.3765875089378637
Energy: 0.3836159382925034
Energy: 0.3765875089378637
Energy: 0.3836159382925034
Energy: 0.3765875089369232
Energy: 0.3836159382925034
Energy: 0.4188786256495582
Energy: 0.4501407402337491
Energy: 0.4188786256495582
Energy: 0.4501407402332789
Energy: 0.4188786256495582
Energy: 0.4501407402332789
Energy: 0.3633929245224733
Energy: 0.4485573540284813
Energy: 0.3633929245224733
Energy: 0.44855735402801106
Energy: 0.3633929245224733
Energy: 0.44855735402801106
Energy: 0.39657493565134977
Energy: 0.36344558072473176
Energy: 0.39657493565134977
Energy: 0.3634455807242615
Energy: 0.39657493565134977
Energy: 0.36344558072473176
Energy: 0.3722007175266962
Energy: 0.3753809888669897
Energy: 0.372200717526226
Energy: 0.3753809888669897
Energy: 0.372200717526226
Energy: 0.3753809888669897
Energy: 0.37221278353478043
Energy: 0.3753077016498962
Energy: 0.37221278353478043
Energy: 0.37530770164942595
Energy: 0.37221278353431025
Energy: 0.37530770164942595
Energy: 0.396711806478711
Energy: 0.36561385523283474
Energy: 0.396711806478711
Energy: 0.36561385523283474
Energy: 0.39671180647918125
Energy: 0.36561385523283474
Energy: 0.36338212434797035
Energy: 0.4485489337199877
Energy: 0.36338212434797035
Energy: 0.44854893372045795
Energy: 0.36338212434750006
Energy: 0.44854893371951754
Energy: 0.418525298515135
Energy: 0.44993123087056663
Energy: 0.418525298515135
Energy: 0.44993123087056663
Energy: 0.41852529851466475
Energy: 0.44993123087056663
Energy: 0.3765875089378637
Energy: 0.3836159382925034
Energy: 0.3765875089373934
Energy: 0.3836159382925034
Energy: 0.3765875089373934
Energy: 0.3836159382925034
Energy: 0.4188786256495582
Energy: 0.4501407402337491
Energy: 0.41887862564908795
Energy: 0.4501407402332789
Energy: 0.4188786256495582
Energy: 0.4501407402332789
Energy: 0.3633929245224733
Energy: 0.44855735402801106
Energy: 0.3633929245229435
Energy: 0.44855735402801106
Energy: 0.3633929245229435
Energy: 0.44855735402801106
Energy: 0.39657493565134977
Energy: 0.36344558072473176
Energy: 0.39657493565134977
Energy: 0.36344558072473176
Energy: 0.39657493565134977
Energy: 0.36344558072473176
Energy: 0.3722007175257558
Energy: 0.3753809888669897
Energy: 0.3722007175266962
Energy: 0.3753809888669897
Energy: 0.372200717526226
Energy: 0.3753809888669897
Energy: 0.37221278353431025
Energy: 0.3753077016498962
Energy: 0.37221278353431025
Energy: 0.37530770164942595
Energy: 0.37221278353431025
Energy: 0.3753077016498962
Energy: 0.396711806478711
Energy: 0.36561385523283474
Energy: 0.39671180647918125
Energy: 0.36561385523283474
Energy: 0.39671180647918125
Energy: 0.36561385523283474
Energy: 0.36338212434750006
Energy: 0.4485489337190473
Energy: 0.36338212434750006
Energy: 0.44854893372045795
Energy: 0.36338212434797035
Energy: 0.4485489337190473
Energy: 0.41852529851560516
Energy: 0.44993123087056663
Energy: 0.41852529851466475
Energy: 0.44993123087056663
Energy: 0.41852529851466475
Energy: 0.44993123087056663
Energy: 0.3765875089373934
Energy: 0.3836159382925034
Energy: 0.3765875089373934
Energy: 0.3836159382925034
Energy: 0.3765875089369232
Energy: 0.3836159382925034
Energy: 0.4188786256500284
Energy: 0.4501407402332789
Energy: 0.4188786256495582
Energy: 0.4501407402332789
Energy: 0.41887862564908795
Energy: 0.4501407402337491
Energy: 0.3633929245224733
Energy: 0.44855735402801106
Energy: 0.3633929245229435
Energy: 0.44855735402801106
Energy: 0.36339292452200306
Energy: 0.44855735402801106
Energy: 0.39657493565134977
Energy: 0.36344558072473176
Energy: 0.39657493565134977
Energy: 0.36344558072473176
Energy: 0.39657493565182
Energy: 0.36344558072473176
Energy: 0.3722007175266962
Energy: 0.3753809888669897
Energy: 0.372200717526226
Energy: 0.3753809888669897
Energy: 0.372200717526226
Energy: 0.3753809888669897
Energy: 0.37221278353431025
Energy: 0.3753077016498962
Energy: 0.37221278353431025
Energy: 0.37530770164942595
Energy: 0.37221278353384
Energy: 0.3753077016498962
Energy: 0.396711806478711
Energy: 0.36561385523283474
Energy: 0.396711806478711
Energy: 0.36561385523283474
Energy: 0.39671180647918125
Energy: 0.36561385523283474
Energy: 0.36338212434797035
Energy: 0.44854893372045795
Energy: 0.36338212434750006
Energy: 0.44854893372045795
Energy: 0.36338212434797035
Energy: 0.44854893371951754
Energy: 0.418525298515135
Energy: 0.44993123087056663
Energy: 0.41852529851560516
Energy: 0.44993123087056663
Energy: 0.418525298515135
Energy: 0.44993123087056663
Energy: 0.3765875089373934
Energy: 0.3836159382925034
Energy: 0.3765875089373934
Energy: 0.3836159382925034
Energy: 0.3765875089373934
Energy: 0.3836159382925034
Energy: 0.4188786256495582
Energy: 0.4501407402332789
Energy: 0.4188786256495582
Energy: 0.4501407402332789
Energy: 0.41887862564908795
Energy: 0.4501407402332789
Energy: 0.3633929245229435
Energy: 0.44855735402801106
Energy: 0.3633929245229435
Energy: 0.44855735402801106
Energy: 0.3633929245224733
Energy: 0.44855735402801106

minimum gb energy = 0.36338212434750006 eV
minimum distance =  2.58709076041094 Angstroms
sigma value = 27


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

Energy: 0.37159069128846883
Energy: 0.3610489787119
Energy: 0.37159069128846883
Energy: 0.36104897871074815
Energy: 0.37159069128846883
Energy: 0.3610489787119
Energy: 0.4227377238284724
Energy: 0.3730398575414274
Energy: 0.4227377238273206
Energy: 0.3730398575402756
Energy: 0.4227377238284724
Energy: 0.3730398575414274
Energy: 0.3731801376984174
Energy: 0.40872972441619315
Energy: 0.3731801376972656
Energy: 0.40872972441504135
Energy: 0.3731801376984174
Energy: 0.40872972441619315
Energy: 0.4135722323727948
Energy: 0.35398828523025616
Energy: 0.4135722323727948
Energy: 0.35398828522910436
Energy: 0.4135722323727948
Energy: 0.35398828522910436
Energy: 0.41151995669855146
Energy: 0.35142017018644095
Energy: 0.41151995669855146
Energy: 0.35142017018644095
Energy: 0.4115199566973996
Energy: 0.35142017018644095
Energy: 0.4176988400289052
Energy: 0.43389628143940695
Energy: 0.4176988400289052
Energy: 0.43389628143940695
Energy: 0.4176988400289052
Energy: 0.4338962814382551
Energy: 0.39200847340037837
Energy: 0.3743481532460672
Energy: 0.39200847340037837
Energy: 0.3743481532460672
Energy: 0.39200847340037837
Energy: 0.3743481532460672
Energy: 0.36944114825688223
Energy: 0.3629095388808573
Energy: 0.36944114825688223
Energy: 0.3629095388797055
Energy: 0.36944114825688223
Energy: 0.3629095388797055
Energy: 0.4220059999549191
Energy: 0.37333082681369373
Energy: 0.4220059999549191
Energy: 0.3733308268102382
Energy: 0.4220059999549191
Energy: 0.3733308268125419
Energy: 0.4001755120664619
Energy: 0.41881807762422296
Energy: 0.4001755120664619
Energy: 0.41881807762422296
Energy: 0.4001755120664619
Energy: 0.41881807762422296
Energy: 0.36135127777621895
Energy: 0.35170780353492725
Energy: 0.4181583119842939
Energy: 0.35170780353492725
Energy: 0.4181583119842939
Energy: 0.35170780353492725
Energy: 0.43181832725342484
Energy: 0.3983793617265879
Energy: 0.43181832725342484
Energy: 0.3983793617265879
Energy: 0.43181832725342484
Energy: 0.3983793617265879

minimum gb energy = 0.35142017018644095 eV
minimum distance =  2.56763377879957 Angstroms
sigma value = 9


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

Energy: 0.36694801620973744
Energy: 0.3531148666787835
Energy: 0.36694801621232653
Energy: 0.35311486667910713
Energy: 0.36694801621038475
Energy: 0.35311486667910713
Energy: 0.3538370739004813
Energy: 0.3400777561107188
Energy: 0.35383707390468844
Energy: 0.3307165624381331
Energy: 0.353837073903394
Energy: 0.3307165624381331
Energy: 0.3269388372153752
Energy: 0.357722720605499
Energy: 0.3269388372176406
Energy: 0.357722720605499
Energy: 0.32693883721602246
Energy: 0.35772272060582255
Energy: 0.33539042167824373
Energy: 0.3273643251409742
Energy: 0.33539042167824373
Energy: 0.3273643251409742
Energy: 0.3353904216792147
Energy: 0.3273643251409742
Energy: 0.3549027707765891
Energy: 0.3449742374746574
Energy: 0.3549027707778542
Energy: 0.3449742374746574
Energy: 0.35490277077756
Energy: 0.344974237474981
Energy: 0.35941074567439607
Energy: 0.35342623386447336
Energy: 0.35941074567407244
Energy: 0.35342623386414973
Energy: 0.3594107456734252
Energy: 0.353426233864797
Energy: 0.33974355400313216
Energy: 0.3692962409347271
Energy: 0.33974355400507394
Energy: 0.3692962409347271
Energy: 0.33974355400377937
Energy: 0.3692962409347271
Energy: 0.3161102149163421
Energy: 0.35792996117100107
Energy: 0.3161102149140767
Energy: 0.3579299611716483
Energy: 0.31611021491666574
Energy: 0.35792996117100107
Energy: 0.35838390077295124
Energy: 0.34532201705148863
Energy: 0.35838390076874405
Energy: 0.345322017051165
Energy: 0.35838390077295124
Energy: 0.34532201705148863
Energy: 0.35384866667354614
Energy: 0.35339850688330193
Energy: 0.3538486666728989
Energy: 0.35339850688168384
Energy: 0.3538486666732225
Energy: 0.3533985068852437
Energy: 0.3360933575263876
Energy: 0.3252960692628426
Energy: 0.3360933575267112
Energy: 0.3252960692628426
Energy: 0.33609335752800573
Energy: 0.3252960692628426
Energy: 0.33863234142147963
Energy: 0.34680244431234974
Energy: 0.3386323414198615
Energy: 0.34680244431234974
Energy: 0.3386323414201851
Energy: 0.3468024443126734
Energy: 0.34948976258112663
Energy: 0.347003545571207
Energy: 0.34948976258209746
Energy: 0.3470035455715306
Energy: 0.34948976258177383
Energy: 0.34700354557185425
Energy: 0.365161780546422
Energy: 0.3562178177660035
Energy: 0.3651617805454512
Energy: 0.3562178177660035
Energy: 0.3651617805473929
Energy: 0.3562178177676216
Energy: 0.3279231986600597
Energy: 0.35752452801396145
Energy: 0.3279231986600597
Energy: 0.35752452801396145
Energy: 0.3279231986600597
Energy: 0.35752452801396145
Energy: 0.3278864134318217
Energy: 0.36371886973469236
Energy: 0.3278864134321453
Energy: 0.3637188697204527
Energy: 0.32788641343052716
Energy: 0.36371886973307427
Energy: 0.4189554552213566
Energy: 0.3225553379652646
Energy: 0.4189554552200621
Energy: 0.32255533796494096
Energy: 0.41895545522103295
Energy: 0.32255533796494096
Energy: 0.33496619774457864
Energy: 0.3421171216725092
Energy: 0.33496619774716774
Energy: 0.3421171216725092
Energy: 0.33496619774457864
Energy: 0.3421171216725092
Energy: 0.3188050444235556
Energy: 0.4283071016628077
Energy: 0.3188050444254974
Energy: 0.42830710166377856
Energy: 0.318805044423232
Energy: 0.4283071016650731
Energy: 0.383220453043154
Energy: 0.3188352029631325
Energy: 0.38322045304088864
Energy: 0.3188352029712232
Energy: 0.38322045304283037
Energy: 0.31883520297510676
Energy: 0.31880920579866084
Energy: 0.42833508319777064
Energy: 0.31880920579963173
Energy: 0.4283350831997124
Energy: 0.3188092057989845
Energy: 0.4283350832019779
Energy: 0.334992802666486
Energy: 0.3422709523472345
Energy: 0.33499280266778053
Energy: 0.3422709523475581
Energy: 0.3349928026661624
Energy: 0.3422709523472345
Energy: 0.41891269445648005
Energy: 0.32256844198480894
Energy: 0.41891269445550916
Energy: 0.32256844198931034
Energy: 0.4189126944561564
Energy: 0.32256844198672135
Energy: 0.3277152528474792
Energy: 0.34038454340729996
Energy: 0.32771525284780284
Energy: 0.3403845434076236
Energy: 0.3277152528484501
Energy: 0.3403845434076236
Energy: 0.328015803678816
Energy: 0.35759790550271225
Energy: 0.3280158036778746
Energy: 0.35759790550271225
Energy: 0.328015803678816
Energy: 0.35759790550271225
Energy: 0.36499318524259916
Energy: 0.3559455150179647
Energy: 0.3649931852413047
Energy: 0.35594551501764105
Energy: 0.3649931852419519
Energy: 0.35594551501764105
Energy: 0.3493404994286167
Energy: 0.34699288500693437
Energy: 0.3493404994334712
Energy: 0.34699288500661074
Energy: 0.34934049943120576
Energy: 0.3469928850062871
Energy: 0.33837120975993784
Energy: 0.3265080359993974
Energy: 0.33837120975864327
Energy: 0.3265080360026336
Energy: 0.3383712097592906
Energy: 0.32650803599907374
Energy: 0.336069359069848
Energy: 0.3252587124910465
Energy: 0.33606935906855345
Energy: 0.32525871249137017
Energy: 0.33606935906952434
Energy: 0.32525871249137017
Energy: 0.3536207465923217
Energy: 0.31217959004284535
Energy: 0.35362074659458703
Energy: 0.31217959003313644
Energy: 0.35362074659393977
Energy: 0.3121795900392854
Energy: 0.3580651721628018
Energy: 0.3452599816231634
Energy: 0.35806517215538775
Energy: 0.3452599816228398
Energy: 0.35806517215988903
Energy: 0.3452599816228398
Energy: 0.31619675098204114
Energy: 0.3575685086241299
Energy: 0.3161967509817175
Energy: 0.35756850862315903
Energy: 0.3161967509817175
Energy: 0.3575685086241299
Energy: 0.3398030838158837
Energy: 0.36931988655229364
Energy: 0.3398030838158837
Energy: 0.36931988655229364
Energy: 0.33980308381556007
Energy: 0.36931988655229364
Energy: 0.3588584191932883
Energy: 0.33313294069574567
Energy: 0.35885841919458283
Energy: 0.33313294069509847
Energy: 0.3588584191919938
Energy: 0.333132940692833
Energy: 0.3549192423049823
Energy: 0.3450554355259587
Energy: 0.3549192423053059
Energy: 0.34505543552563506
Energy: 0.3549192423053059
Energy: 0.34505543552563506
Energy: 0.335386089772052
Energy: 0.327282757694341
Energy: 0.33538608977108114
Energy: 0.327282757694341
Energy: 0.335386089772052
Energy: 0.327282757694341
Energy: 0.3251455717654913
Energy: 0.3578088212972129
Energy: 0.3251455717635495
Energy: 0.35780882129850744
Energy: 0.3251455717664622
Energy: 0.35780882129624203
Energy: 0.3540611504160311
Energy: 0.3386858054284363
Energy: 0.3540611504182966
Energy: 0.33868580542811266
Energy: 0.35406115041570746
Energy: 0.3386858054287599
Energy: 0.36694801620973744
Energy: 0.35311486667943076
Energy: 0.36694801621070844
Energy: 0.35311486667943076
Energy: 0.36694801621070844
Energy: 0.3531148666797544
Energy: 0.3538370739140737
Energy: 0.3192119619130881
Energy: 0.3538370739137501
Energy: 0.3192119619130881
Energy: 0.3538370739189282
Energy: 0.3192119619134117
Energy: 0.32693883721472794
Energy: 0.35772272060420446
Energy: 0.3269388372173169
Energy: 0.3577227206048517
Energy: 0.3269388372163461
Energy: 0.3577227206048517
Energy: 0.3353904216772729
Energy: 0.3273643251412978
Energy: 0.33539042167662564
Energy: 0.3273643251412978
Energy: 0.3353904216785674
Energy: 0.3273643251412978
Energy: 0.35490277077594184
Energy: 0.3449742374730393
Energy: 0.3549027707756182
Energy: 0.3449742374733629
Energy: 0.35490277077594184
Energy: 0.3449742374730393

minimum gb energy = 0.31217959003313644 eV
minimum distance =  2.63687491358501 Angstroms
sigma value = 57


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

Energy: 0.27141429814505263
Energy: 0.25497238403452
Energy: 0.1603902715318274
Energy: 0.25497238403746686
Energy: 0.2714142981435792
Energy: 0.25497238403820355
Energy: 0.29471840972911334
Energy: 0.25135798453936936
Energy: 0.2947184097269033
Energy: 0.2514172785826259
Energy: 0.29471840972837665
Energy: 0.25135798453936936
Energy: 0.2709785272869174
Energy: 0.285574557016152
Energy: 0.2709785272839706
Energy: 0.28233449112529824
Energy: 0.2709785272832339
Energy: 0.2855745570154153
Energy: 0.25708884143098104
Energy: 0.21951208327914198
Energy: 0.2570888414331911
Energy: 0.16414338022478486
Energy: 0.2570888414346645
Energy: 0.21951208328135208
Energy: 0.19937508947250204
Energy: 0.29797750387807437
Energy: 0.19937508947323873
Energy: 0.29797750387586425
Energy: 0.19937508947323873
Energy: 0.2979775038773377
Energy: 0.16048736495900245
Energy: 0.271420741174558
Energy: 0.16048736496121252
Energy: 0.2714207411752947
Energy: 0.16048736496121252
Energy: 0.2714207411767681
Energy: 0.16072643017615335
Energy: 0.17880868503799122
Energy: 0.16072643017689006
Energy: 0.1788086850402013
Energy: 0.16072643017836344
Energy: 0.17880868503725456
Energy: 0.29465086860441175
Energy: 0.20248629987630934
Energy: 0.2946508686066218
Energy: 0.20248629987704606
Energy: 0.2946508686073585
Energy: 0.20248629987630934
Energy: 0.25659768100040203
Energy: 0.164109878999444
Energy: 0.25659768100261215
Energy: 0.21949403663341255
Energy: 0.25659768100040203
Energy: 0.16410987900165405
Energy: 0.1785762317862965
Energy: 0.3068933492789984
Energy: 0.1785762317892098
Energy: 0.3068933492789984
Energy: 0.17857623178261303
Energy: 0.3068933492782617
Energy: 0.19936050488365464
Energy: 0.25204096349291827
Energy: 0.19936050488218124
Energy: 0.25204096349291827
Energy: 0.19936050488439136
Energy: 0.2520409634907082
Energy: 0.2714142981435792
Energy: 0.2549723840330466
Energy: 0.1603902715318274
Energy: 0.25497238403673017
Energy: 0.27141429814136914
Energy: 0.25497238403820355
Energy: 0.29471840972985003
Energy: 0.25135798454010605
Energy: 0.29471840972763996
Energy: 0.2514172785826259
Energy: 0.29471840972837665
Energy: 0.25135798454010605
Energy: 0.2709785272861807
Energy: 0.2855745570146786
Energy: 0.270978527285444
Energy: 0.28233449464734284
Energy: 0.2709785272832339
Energy: 0.2855745570176254
Energy: 0.25708884142950766
Energy: 0.21951208327914198
Energy: 0.2570888414324544
Energy: 0.16414338022257477
Energy: 0.2570888414339278
Energy: 0.2195120832806154
Energy: 0.19937508947250204
Energy: 0.29797750387954774
Energy: 0.1993750894739754
Energy: 0.2979775038773377
Energy: 0.19937508947250204
Energy: 0.29797750387660094
Energy: 0.16048736495973914
Energy: 0.2714207411738213
Energy: 0.16048736496121252
Energy: 0.271420741174558
Energy: 0.16048736495826574
Energy: 0.2714207411767681
Energy: 0.16072643017467994
Energy: 0.17880868503725456
Energy: 0.16072643017689006
Energy: 0.1788086850387279
Energy: 0.16072643017983682
Energy: 0.17880868503651784
Energy: 0.29465086860441175
Energy: 0.2024862998740993
Energy: 0.2946508686066218
Energy: 0.20248629987557265
Energy: 0.2946508686088319
Energy: 0.20248629987557265

minimum gb energy = 0.1603902715318274 eV
minimum distance =  2.73706594681667 Angstroms
sigma value = 11


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

Energy: 0.30426558724541575
Energy: 0.3492373413732052
Energy: 0.30426558724595537
Energy: 0.3492373413732052
Energy: 0.30426558724595537
Energy: 0.3492373413732052
Energy: 0.35172110145567376
Energy: 0.3014049159860527
Energy: 0.35172110145513413
Energy: 0.30140491598659236
Energy: 0.35172110145513413
Energy: 0.301404915985513
Energy: 0.352853395941792
Energy: 0.39559583753637945
Energy: 0.352853395941792
Energy: 0.3955958375358888
Energy: 0.35285339594287124
Energy: 0.39559583753691907
Energy: 0.3638712948416921
Energy: 0.26713661145795553
Energy: 0.36387129484061287
Energy: 0.26713661145795553
Energy: 0.3638712948422318
Energy: 0.26713661145795553
Energy: 0.3359447568196763
Energy: 0.2590252423301918
Energy: 0.3359447568196763
Energy: 0.25902524233073143
Energy: 0.33594475681859703
Energy: 0.25902524233073143
Energy: 0.31668102206802273
Energy: 0.26390741826434183
Energy: 0.3166810220669435
Energy: 0.2639074182638022
Energy: 0.31668102206802273
Energy: 0.2639074182638022
Energy: 0.25313833154096693
Energy: 0.2785731116847482
Energy: 0.2531383315398876
Energy: 0.2785731116847482
Energy: 0.25313833154096693
Energy: 0.2785731116842085
Energy: 0.34948873000589703
Energy: 0.247006208384338
Energy: 0.3494887300064367
Energy: 0.247006208384338
Energy: 0.3494887300064367
Energy: 0.247006208384338
Energy: 0.3474108972934343
Energy: 0.24874888694821812
Energy: 0.34741089729235497
Energy: 0.24874888694767847
Energy: 0.34741089729235497
Energy: 0.24874888694821812
Energy: 0.2511393322114981
Energy: 0.3727962150513548
Energy: 0.2511393322125774
Energy: 0.372796215054053
Energy: 0.2511393322114981
Energy: 0.37279621505243415
Energy: 0.3265634625390405
Energy: 0.3222509574499683
Energy: 0.3265634625401198
Energy: 0.3222509574483493
Energy: 0.3265634625385009
Energy: 0.32225095744888893
Energy: 0.2673315360383233
Energy: 0.26043491813250974
Energy: 0.2673315360350854
Energy: 0.26043491813143044
Energy: 0.26733153603886295
Energy: 0.26043491813250974
Energy: 0.35496993012371025
Energy: 0.2697349672076101
Energy: 0.354969930122631
Energy: 0.26973496720707046
Energy: 0.354969930122631
Energy: 0.2697349672076101
Energy: 0.34657711267867913
Energy: 0.3858616811105303
Energy: 0.34657711267867913
Energy: 0.38586168111106994
Energy: 0.34657711267867913
Energy: 0.38586168110999064
Energy: 0.3578000755811801
Energy: 0.3007656338631241
Energy: 0.3578000755806405
Energy: 0.3007656338625845
Energy: 0.3578000755811801
Energy: 0.3007656338631241
Energy: 0.28206894453949816
Energy: 0.3486835154331514
Energy: 0.28206894454003784
Energy: 0.3486835154331514
Energy: 0.2820689445411171
Energy: 0.348683515433691
Energy: 0.30622189817625206
Energy: 0.2992976272978219
Energy: 0.3062218981773313
Energy: 0.2992976272978219
Energy: 0.3062218981767917
Energy: 0.29929762729728226
Energy: 0.4365340863720702
Energy: 0.334133071301948
Energy: 0.4365340863720702
Energy: 0.334133071301948
Energy: 0.43653408637099095
Energy: 0.334133071301948
Energy: 0.3221161749455775
Energy: 0.2654427910556205
Energy: 0.3221161749444982
Energy: 0.2654427910550809
Energy: 0.3221161749455775
Energy: 0.2654427910550809
Energy: 0.2677107463571021
Energy: 0.308351691407938
Energy: 0.26771074636514786
Energy: 0.3083516914084777
Energy: 0.2677107463748614
Energy: 0.308351691407938
Energy: 0.25216963894437316
Energy: 0.26526381199899185
Energy: 0.2521696389427542
Energy: 0.2652638119979126
Energy: 0.25216963894383354
Energy: 0.2652638119946747
Energy: 0.26723024970313314
Energy: 0.27848108087759516
Energy: 0.26723024970097453
Energy: 0.27848108086842116
Energy: 0.267230249704752
Energy: 0.27848108087759516
Energy: 0.35098581561226344
Energy: 0.3081046693962206
Energy: 0.35098581561226344
Energy: 0.3081046693962206
Energy: 0.35098581561118414
Energy: 0.308104669395681
Energy: 0.347457412589365
Energy: 0.29646370879615985
Energy: 0.347457412590984
Energy: 0.2964637087966995
Energy: 0.347457412589365
Energy: 0.29646370879615985
Energy: 0.25263859289666063
Energy: 0.37419457125037886
Energy: 0.25263859289666063
Energy: 0.3741945712509185
Energy: 0.2526385928977399
Energy: 0.37419457125037886
Energy: 0.4874228184879671
Energy: 0.32107473731987035
Energy: 0.48742281848742747
Energy: 0.32107473731987035
Energy: 0.4874228184879671
Energy: 0.32107473731987035

minimum gb energy = 0.247006208384338 eV
minimum distance =  2.64032562807248 Angstroms
sigma value = 41


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

Energy: 0.3363754583102479
Energy: 0.2843512617234033
Energy: 0.3363754583102479
Energy: 0.2843512617234033
Energy: 0.3363754583106732
Energy: 0.2843512617234033
Energy: 0.3742428813396805
Energy: 0.3515118584428848
Energy: 0.3742428813396805
Energy: 0.3515118584424594
Energy: 0.3742428813401058
Energy: 0.35151185844331007
Energy: 0.3301752723294431
Energy: 0.32677234393938337
Energy: 0.3301752723332518
Energy: 0.32677234393938337
Energy: 0.33017527233240107
Energy: 0.3267723439398087
Energy: 0.29530129730933674
Energy: 0.2801226839188526
Energy: 0.2953012973101874
Energy: 0.2801226839188526
Energy: 0.2953012973089114
Energy: 0.2801226839188526
Energy: 0.27365639847147266
Energy: 0.29712614220090355
Energy: 0.27365639847147266
Energy: 0.29712614220090355
Energy: 0.2736563984723233
Energy: 0.2971261422004783
Energy: 0.36138016088723635
Energy: 0.35527956552095485
Energy: 0.361380160888087
Energy: 0.35527956552095485
Energy: 0.361380160888087
Energy: 0.35527956552095485
Energy: 0.27484637112153165
Energy: 0.4060939248258873
Energy: 0.2748463711223823
Energy: 0.4060939248258873
Energy: 0.274846371121957
Energy: 0.4060939248258873
Energy: 0.2663634187116813
Energy: 0.280633550044399
Energy: 0.2663634187116813
Energy: 0.280633550044399
Energy: 0.266363418712532
Energy: 0.280633550044399
Energy: 0.2786771108264863
Energy: 0.2943933954753713
Energy: 0.2786771108256356
Energy: 0.2943933954753713
Energy: 0.2786771108264863
Energy: 0.2943933954753713
Energy: 0.2970660076532553
Energy: 0.30043914642933855
Energy: 0.2970660076524046
Energy: 0.30043914642933855
Energy: 0.29706600765283
Energy: 0.30043914642848785
Energy: 0.29394643759411393
Energy: 0.30454191425099403
Energy: 0.29394643759411393
Energy: 0.30454191425141935
Energy: 0.29394643759411393
Energy: 0.30454191425099403
Energy: 0.26461545681505777
Energy: 0.3850693830010864
Energy: 0.2646154568146325
Energy: 0.343867142707923
Energy: 0.26461545681505777
Energy: 0.343867142707923
Energy: 0.2666892820515086
Energy: 0.27629167219071193
Energy: 0.2666892820523593
Energy: 0.2762916721911373
Energy: 0.266689282051934
Energy: 0.27629167219071193
Energy: 0.2596670377176919
Energy: 0.30270810132083875
Energy: 0.2596670377172665
Energy: 0.3027081013212641
Energy: 0.2596670377181172
Energy: 0.3027081013199881
Energy: 0.36030012994941024
Energy: 0.3544654312587442
Energy: 0.36030012995026095
Energy: 0.3544654312591695
Energy: 0.3603001299489849
Energy: 0.3544654312587442
Energy: 0.25759629996392486
Energy: 0.39649694522206774
Energy: 0.2575962999634995
Energy: 0.3593753848268495
Energy: 0.2575962999634995
Energy: 0.3593753848268495
Energy: 0.269944159652941
Energy: 0.2763330033454632
Energy: 0.2699441596520903
Energy: 0.2763330033454632
Energy: 0.269944159652941
Energy: 0.2763330033454632
Energy: 0.2826852736992128
Energy: 0.3274835434210248
Energy: 0.2826852737000635
Energy: 0.32748354342187547
Energy: 0.2826852736992128
Energy: 0.3274835434205995
Energy: 0.3015241318483582
Energy: 0.34942954890435085
Energy: 0.30152413184750754
Energy: 0.34942954890435085
Energy: 0.30152413184708216
Energy: 0.3494295489047762
Energy: 0.29307260065682333
Energy: 0.2771572875645759
Energy: 0.2930726006572487
Energy: 0.2771572875611733
Energy: 0.29307260065682333
Energy: 0.2771572875603226
Energy: 0.27044515448864775
Energy: 0.3032767405230632
Energy: 0.270445154489073
Energy: 0.3032767405273165
Energy: 0.270445154489073
Energy: 0.30327674052561515
Energy: 0.28697994944453487
Energy: 0.3928527504661737
Energy: 0.28697994944325894
Energy: 0.392852750466599
Energy: 0.28697994944368427
Energy: 0.392852750466599
Energy: 0.29764522110631053
Energy: 0.2765386611276073
Energy: 0.2976452211058852
Energy: 0.2765386611276073
Energy: 0.29764522110503455
Energy: 0.2765386611276073
Energy: 0.2578626502182025
Energy: 0.3005872320043858
Energy: 0.2578626502177772
Energy: 0.30058723202267507
Energy: 0.25786265021862786
Energy: 0.3005872320022591
Energy: 0.2632286944574078
Energy: 0.36365341954619657
Energy: 0.2632286944565572
Energy: 0.36365341954662195
Energy: 0.2632286944565572
Energy: 0.3636534195453459
Energy: 0.2745408978685599
Energy: 0.30077393834863914
Energy: 0.2745408978685599
Energy: 0.3007739383533178
Energy: 0.2745408978689852
Energy: 0.3007739383499151
Energy: 0.2707244303007267
Energy: 0.2767355344707451
Energy: 0.2707244303003013
Energy: 0.27673553447031984
Energy: 0.2707244303003013
Energy: 0.2767355344707451
Energy: 0.2786838062361769
Energy: 0.2983885289756357
Energy: 0.2786838062361769
Energy: 0.2983885289769117
Energy: 0.2786838062361769
Energy: 0.2983885289781877
Energy: 0.29266824431876987
Energy: 0.3549690000958414
Energy: 0.2926682443183445
Energy: 0.3549690000949907
Energy: 0.2926682443179192
Energy: 0.3549690000949907
Energy: 0.32141128019205545
Energy: 0.28554556652857305
Energy: 0.32141128019205545
Energy: 0.2855455665289984
Energy: 0.32141128019248083
Energy: 0.2855455665289984
Energy: 0.26830273390649495
Energy: 0.34271506722198053
Energy: 0.2683027339069203
Energy: 0.34271506722198053
Energy: 0.26830273390649495
Energy: 0.34271506722155515
Energy: 0.2806407957512541
Energy: 0.291208715754039
Energy: 0.2806407957512541
Energy: 0.2912087157544644
Energy: 0.2806407957512541
Energy: 0.291208715754039
Energy: 0.2631685542727984
Energy: 0.2839002833124799
Energy: 0.263168554273649
Energy: 0.2839002833124799
Energy: 0.2631685542727984
Energy: 0.28390028331205464

minimum gb energy = 0.2575962999634995 eV
minimum distance =  2.67045700129586 Angstroms
sigma value = 33


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

Energy: 0.33614512725171436
Energy: 0.3263067582764316
Energy: 0.33614512725171436
Energy: 0.32630675827673006
Energy: 0.33614512725111734
Energy: 0.3263067582764316
Energy: 0.3669736584323028
Energy: 0.2869760175244784
Energy: 0.36697365843200425
Energy: 0.2869760175241799
Energy: 0.3669736584331983
Energy: 0.2869760175244784
Energy: 0.305081317367833
Energy: 0.334567533206114
Energy: 0.305081317367833
Energy: 0.33456753320342747
Energy: 0.3050813173687285
Energy: 0.33456753320342747
Energy: 0.3237833558491431
Energy: 0.2965384866664553
Energy: 0.3237833558482475
Energy: 0.2965384866664553
Energy: 0.32378335584884455
Energy: 0.2965384866664553
Energy: 0.3193306501137344
Energy: 0.3308982802956564
Energy: 0.3193306501131374
Energy: 0.33089828021213014
Energy: 0.3193306501158239
Energy: 0.3308982802133241
Energy: 0.3891188196944984
Energy: 0.29619055154175844
Energy: 0.38911881969390144
Energy: 0.29619055154235546
Energy: 0.38911881969479695
Energy: 0.2961905515420569
Energy: 0.29775026480065103
Energy: 0.3686856081424223
Energy: 0.297750264801248
Energy: 0.3686856081427208
Energy: 0.29775026480035255
Energy: 0.3686856081421238
Energy: 0.31212447092151807
Energy: 0.30660354208949103
Energy: 0.3121244709224136
Energy: 0.3066035420897895
Energy: 0.31212447092151807
Energy: 0.3066035420897895
Energy: 0.3400896925220323
Energy: 0.30564926128833214
Energy: 0.3400896925163608
Energy: 0.30564926128863057
Energy: 0.3400896925211368
Energy: 0.30564926128833214
Energy: 0.4106622448669913
Energy: 0.2985721107237278
Energy: 0.41066224486609587
Energy: 0.2985721107243247
Energy: 0.41066224486549885
Energy: 0.2985721107240263
Energy: 0.31609580314083074
Energy: 0.3066640746785022
Energy: 0.3160958031384427
Energy: 0.30666407467820367
Energy: 0.31609580313993524
Energy: 0.3066640746785022
Energy: 0.48467955745401964
Energy: 0.29657482615066494
Energy: 0.48467955745431807
Energy: 0.29657482615006786
Energy: 0.48467955745521357
Energy: 0.29657482615036634
Energy: 0.3056430855160771
Energy: 0.34058696930844873
Energy: 0.3056430855181666
Energy: 0.3405869693096427
Energy: 0.3056430855160771
Energy: 0.3405869693069562
Energy: 0.3169751588536751
Energy: 0.3231036843898135
Energy: 0.31697515885248106
Energy: 0.323103684390112
Energy: 0.31697515885397365
Energy: 0.323103684390709
Energy: 0.3112166132312822
Energy: 0.2873863940601423
Energy: 0.3112166132318792
Energy: 0.2873863940601423
Energy: 0.3112166132312822
Energy: 0.2873863940604408
Energy: 0.2983109261787787
Energy: 0.4146483520414381
Energy: 0.2983109261784802
Energy: 0.4146483520414381
Energy: 0.2983109261805697
Energy: 0.4146483520414381
Energy: 0.3287668418445393
Energy: 0.2899969692831406
Energy: 0.3287668418517034
Energy: 0.2899969692834391
Energy: 0.3287668418337933
Energy: 0.2899969692834391
Energy: 0.29424061568431303
Energy: 0.30677814737486264
Energy: 0.294240615683716
Energy: 0.30677814737575815
Energy: 0.294240615683716
Energy: 0.30677814737575815
Energy: 0.3370304029160626
Energy: 0.3211203915998438
Energy: 0.33703040290770453
Energy: 0.3211203915995453
Energy: 0.3370304029106896
Energy: 0.3211203915998438
Energy: 0.34311739441053696
Energy: 0.3076158258402417
Energy: 0.34311739441710404
Energy: 0.3076158258402417
Energy: 0.34311739440576094
Energy: 0.3076158258402417
Energy: 0.3043946878856565
Energy: 0.3097505853912735
Energy: 0.3043946878880445
Energy: 0.30975058539157196
Energy: 0.3043946878862535
Energy: 0.3097505853912735
Energy: 0.2837724022346913
Energy: 0.3898196566266637
Energy: 0.2837724022358853
Energy: 0.38981965662636514
Energy: 0.2837724022343928
Energy: 0.38981965662636514
Energy: 0.311425516066386
Energy: 0.2802927480400787
Energy: 0.311425516066983
Energy: 0.28029274803948173
Energy: 0.3114255160672815
Energy: 0.2802927480373922
Energy: 0.2997171460992254
Energy: 0.3440226293685245
Energy: 0.2997171460983299
Energy: 0.34402262936882305
Energy: 0.2997171460995239
Energy: 0.34402262936822603
Energy: 0.32899829611353976
Energy: 0.2901579532250192
Energy: 0.32899829611592774
Energy: 0.29015795322474786
Energy: 0.3289982961111517
Energy: 0.29015795322474786
Energy: 0.29393210352958404
Energy: 0.3867305647209566
Energy: 0.2939321035286885
Energy: 0.3867305647206581
Energy: 0.29393210352958404
Energy: 0.3867305647206581
Energy: 0.32348517104934016
Energy: 0.2996851834033538
Energy: 0.32348517104963864
Energy: 0.2996851834039508
Energy: 0.3234851710499372
Energy: 0.2996851834039508
Energy: 0.33024863615866784
Energy: 0.3220831989504704
Energy: 0.3302486361580708
Energy: 0.3220831989504704
Energy: 0.3302486361580708
Energy: 0.3220831989504704
Energy: 0.30643246817819003
Energy: 0.3417026112548462
Energy: 0.3064324681790855
Energy: 0.3417026112545477
Energy: 0.3064324681778915
Energy: 0.3417026112563387
Energy: 0.2940190284715646
Energy: 0.4084122597825983
Energy: 0.2940190284712661
Energy: 0.4084122597820013
Energy: 0.2940190284706691
Energy: 0.4084122597820013
Energy: 0.29630594249216624
Energy: 0.2917956295541838
Energy: 0.29630594249365877
Energy: 0.2917956295544823
Energy: 0.29630594249395725
Energy: 0.2917956295541838
Energy: 0.2999222974255731
Energy: 0.4043603699464493
Energy: 0.29992229742497606
Energy: 0.4043603699601804
Energy: 0.2999222974255731
Energy: 0.4043603699470464
Energy: 0.35097001605188777
Energy: 0.3019803800199227
Energy: 0.35097001605487277
Energy: 0.3019803800199227
Energy: 0.3509700160497983
Energy: 0.3019803800199227
Energy: 0.3193290776852023
Energy: 0.314166845939231
Energy: 0.3193290776822173
Energy: 0.314166845938634
Energy: 0.3193290776852023
Energy: 0.3141668459383355
Energy: 0.3067232895980688
Energy: 0.3141885522179329
Energy: 0.30672328959687484
Energy: 0.3141885522179329
Energy: 0.30672328959687484
Energy: 0.3141885522179329
Energy: 0.34322681864824056
Energy: 0.2901571866088835
Energy: 0.3432268186458526
Energy: 0.2901571866088835
Energy: 0.3432268186479421
Energy: 0.290157186608585
Energy: 0.2999157119142839
Energy: 0.4287230887038117
Energy: 0.2999157119142839
Energy: 0.428723088652198
Energy: 0.2999157119148809
Energy: 0.42872308869545367
Energy: 0.3057032743342114
Energy: 0.2918998668287614
Energy: 0.30570327433152483
Energy: 0.29189986682905994
Energy: 0.30570327433242034
Energy: 0.29189986682905994
Energy: 0.2888767064609859
Energy: 0.4310240145572436
Energy: 0.28887670645979185
Energy: 0.4310240145572436
Energy: 0.28887670646247837
Energy: 0.4310240145572436
Energy: 0.30711916777300874
Energy: 0.34064886053374405
Energy: 0.30711916777211323
Energy: 0.340648860528968
Energy: 0.3071191677733073
Energy: 0.34064886053284854
Energy: 0.32028804884730927
Energy: 0.2973198599594185
Energy: 0.3202880488461153
Energy: 0.29731985995912
Energy: 0.3202880488470108
Energy: 0.2973198599594185
Energy: 0.3315880029197553
Energy: 0.290686551069917
Energy: 0.3315880029194568
Energy: 0.290686551069917
Energy: 0.3315880029191583
Energy: 0.2906865510702154
Energy: 0.2928223595697637
Energy: 0.41107632657929427
Energy: 0.29282235957274877
Energy: 0.4110763265789957
Energy: 0.2928223595712562
Energy: 0.41107632657959275
Energy: 0.33068111247387744
Energy: 0.2896379805562405
Energy: 0.33068111247059384
Energy: 0.2896379805559421
Energy: 0.33068111247477294
Energy: 0.2896379805559421
Energy: 0.2998806546603144
Energy: 0.3353717236023144
Energy: 0.2998806546606129
Energy: 0.33537172359962786
Energy: 0.2998806546609114
Energy: 0.33537172360171735
Energy: 0.31130122414643874
Energy: 0.306322858802001
Energy: 0.3113012241458417
Energy: 0.3063228588022995
Energy: 0.31130122414614025
Energy: 0.3063228588022995
Energy: 0.2838730306981549
Energy: 0.3245771630687817
Energy: 0.2838730306978564
Energy: 0.32457716306728923
Energy: 0.2838730306984534
Energy: 0.3245771630657967

minimum gb energy = 0.2802927480373922 eV
minimum distance =  2.66142193868867 Angstroms
sigma value = 67


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

Energy: 0.34225567783526234
Energy: 0.3186408643694805
Energy: 0.342255677834877
Energy: 0.3186408643692992
Energy: 0.34225567783526234
Energy: 0.3186408643692992
Energy: 0.3306698399630206
Energy: 0.28230085960030094
Energy: 0.3306698399630206
Energy: 0.28230085960030094
Energy: 0.3306698399632246
Energy: 0.28230085960050494
Energy: 0.40850094149102095
Energy: 0.36775477904709375
Energy: 0.40850094149063565
Energy: 0.36775477904709375
Energy: 0.4912051203179606
Energy: 0.36775477904688975
Energy: 0.33061551669816663
Energy: 0.294096367891536
Energy: 0.3306155166983707
Energy: 0.294096367891536
Energy: 0.33061551669796263
Energy: 0.294096367891536
Energy: 0.34225567783587446
Energy: 0.3186408643696846
Energy: 0.342255677834877
Energy: 0.3186408643694805
Energy: 0.3422556778354664
Energy: 0.3186408643694805
Energy: 0.3306698399616377
Energy: 0.2823008596006863
Energy: 0.3306698399618191
Energy: 0.2823008596006863
Energy: 0.3306698399616377
Energy: 0.2823008596006863
Energy: 0.3046457562365567
Energy: 0.3677547790454841
Energy: 0.3046457562365567
Energy: 0.3677547790454841
Energy: 0.3046457562365567
Energy: 0.3677547790454841

minimum gb energy = 0.28230085960030094 eV
minimum distance =  2.67027810352447 Angstroms
sigma value = 3


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

Energy: 0.4685031097183132
Energy: 0.37828717902618275
Energy: 0.4000594237536405
Energy: 0.3782871790207531
Energy: 0.46850310972211395
Energy: 0.378287179020457
Energy: 0.37905415118435437
Energy: 0.35894484823871353
Energy: 0.37905415118134334
Energy: 0.3589448482422181
Energy: 0.37905415118894487
Energy: 0.35894484824167516
Energy: 0.3899038380779839
Energy: 0.41539552744522173
Energy: 0.38972306031980575
Energy: 0.4153955274473936
Energy: 0.38990383807719414
Energy: 0.41539552744764036
Energy: 0.3747795927363857
Energy: 0.369830845035647
Energy: 0.3747795927355466
Energy: 0.3547802851863742
Energy: 0.3747795927363857
Energy: 0.3698308450337219
Energy: 0.38300174927265584
Energy: 0.3831894598291736
Energy: 0.3830017492648075
Energy: 0.3831894598302595
Energy: 0.3830017492650543
Energy: 0.38318945982808766
Energy: 0.36601277981931485
Energy: 0.36555757273762357
Energy: 0.366012779819611
Energy: 0.36555757273870954
Energy: 0.36601277982148667
Energy: 0.36555757273762357
Energy: 0.38185192606246066
Energy: 0.3872445463032988
Energy: 0.37952672578904784
Energy: 0.38724454630142313
Energy: 0.38185192606487933
Energy: 0.3872445463011269
Energy: 0.3415903661733853
Energy: 0.39280167299080415
Energy: 0.34159036617960475
Energy: 0.39280167299080415
Energy: 0.34159036617960475
Energy: 0.3928016729913471
Energy: 0.3759766765705653
Energy: 0.3631653121286723
Energy: 0.37597667657273715
Energy: 0.3631653121357309
Energy: 0.3759766765767848
Energy: 0.36316531213627384
Energy: 0.38234950591660566
Energy: 0.3655605531577656
Energy: 0.38234950591690187
Energy: 0.36556055315722263
Energy: 0.38234950591473
Energy: 0.36556055315969055
Energy: 0.3593310554304473
Energy: 0.4053658947486565
Energy: 0.3593310554190451
Energy: 0.4053658947397222
Energy: 0.3593310554228458
Energy: 0.4053658947391792
Energy: 0.35683220439960817
Energy: 0.412988663644449
Energy: 0.3568218939221124
Energy: 0.3972756794893847
Energy: 0.35683220439333935
Energy: 0.39702736107535397
Energy: 0.39505914474176856
Energy: 0.3473697147958361
Energy: 0.39505914474176856
Energy: 0.34736971479040646
Energy: 0.39505914474176856
Energy: 0.347369714794454
Energy: 0.3730126423515977
Energy: 0.37231225491547104
Energy: 0.37301264235594145
Energy: 0.37231225492090075
Energy: 0.37301264235214066
Energy: 0.3723122549181859
Energy: 0.3929212829643997
Energy: 0.36193765124035976
Energy: 0.39292128291360773
Energy: 0.3619376512395206
Energy: 0.3929212829896229
Energy: 0.3619376512373488
Energy: 0.3633215502018329
Energy: 0.3587813085425187
Energy: 0.36332155019610707
Energy: 0.35878130854276546
Energy: 0.3633215501939351
Energy: 0.35878130854306167
Energy: 0.41160838788994847
Energy: 0.3493698153824009
Energy: 0.4116083878872337
Energy: 0.34936981537400963
Energy: 0.4116083878883196
Energy: 0.3493698153737135
Energy: 0.3715165845163679
Energy: 0.39687951026661
Energy: 0.37151658451908276
Energy: 0.39687951026226626
Energy: 0.3715165845242162
Energy: 0.39687951026715296
Energy: 0.37011853704573594
Energy: 0.3954819132655236
Energy: 0.37011853703571573
Energy: 0.3954819132701142
Energy: 0.370118537031915
Energy: 0.39548191327090393
Energy: 0.35673623306319785
Energy: 0.38322391179447757
Energy: 0.35673623306319785
Energy: 0.3832239117982783
Energy: 0.35673623305939706
Energy: 0.38322391179882126
Energy: 0.4090155902112634
Energy: 0.36771574744218544
Energy: 0.4090094249892452
Energy: 0.36771574744815805
Energy: 0.4090155902188155
Energy: 0.36771574744845426
Energy: 0.36203265587205485
Energy: 0.38454774225648897
Energy: 0.3619506814911061
Energy: 0.3845477422518984
Energy: 0.3620326558772377
Energy: 0.3845477422499734
Energy: 0.3616851211457216
Energy: 0.37793175211597124
Energy: 0.3616851211446357
Energy: 0.3779317521254978
Energy: 0.3616851211408349
Energy: 0.3779317521257446
Energy: 0.36746504437189875
Energy: 0.3606290626347068
Energy: 0.36746504438083294
Energy: 0.3606290626333247
Energy: 0.367465044383301
Energy: 0.36062906263278177
Energy: 0.40663243533427834
Energy: 0.36744044250670577
Energy: 0.40663243533590726
Energy: 0.3674404425088777
Energy: 0.40663243533590726
Energy: 0.3674404425088777
Energy: 0.36600993557988476
Energy: 0.3780317623487931
Energy: 0.3660850778562568
Energy: 0.3780317623480034
Energy: 0.3660099355763308
Energy: 0.3780317623469174
Energy: 0.35895618275932734
Energy: 0.3809477390357614
Energy: 0.35895618276584285
Energy: 0.3809477390319606
Energy: 0.35895618276584285
Energy: 0.3809477390306279
Energy: 0.3847052133597385
Energy: 0.33714190053776993
Energy: 0.3847052133597385
Energy: 0.3371419005423605
Energy: 0.3847052133548518
Energy: 0.33714190054265664
Energy: 0.3823672040652896
Energy: 0.34943758939771685
Energy: 0.38236720406825125
Energy: 0.3494375893950021
Energy: 0.3823672040774817
Energy: 0.34943758939529823
Energy: 0.3795799948731281
Energy: 0.36435826832270896
Energy: 0.3784465725511638
Energy: 0.3643582683151075
Energy: 0.3795799948687844
Energy: 0.3643582683158972
Energy: 0.3759066147570496
Energy: 0.34845774352194875
Energy: 0.37827156183408334
Energy: 0.3484577435159762
Energy: 0.37590661475650666
Energy: 0.34845774351706205
Energy: 0.3887753197920225
Energy: 0.3481999183412534
Energy: 0.38877531979666236
Energy: 0.3481999183338987
Energy: 0.3887753198010061
Energy: 0.3481999183341949
Energy: 0.37944193481030797
Energy: 0.3564152572843444
Energy: 0.37944193481006117
Energy: 0.3563311662456373
Energy: 0.37944193480379235
Energy: 0.3561937975746462
Energy: 0.386064837130589
Energy: 0.3899041030824211
Energy: 0.38606483713384687
Energy: 0.38990410307778123
Energy: 0.38606483714283046
Energy: 0.3899041030775344
Energy: 0.36920709393186285
Energy: 0.36977684399374
Energy: 0.36920709393862516
Energy: 0.3697768439991697
Energy: 0.36920709394351187
Energy: 0.36977684399862676
Energy: 0.40624088435632194
Energy: 0.36764508310357846
Energy: 0.40588804253328525
Energy: 0.36764508310194954
Energy: 0.40624088435795075
Energy: 0.3676450831014066
Energy: 0.36019977972092676
Energy: 0.4066365324959844
Energy: 0.3602050927858588
Energy: 0.4066365324970704
Energy: 0.36019977971604006
Energy: 0.40663653249736653
Energy: 0.3906453153703247
Energy: 0.3664672628317295
Energy: 0.3906453153768404
Energy: 0.3664672628336546
Energy: 0.3906453153621803
Energy: 0.36646726283281544
Energy: 0.3499057176927871
Energy: 0.3848601324438012
Energy: 0.3499057176892826
Energy: 0.3848601324448871
Energy: 0.34990571769254036
Energy: 0.38486013244705897
Energy: 0.40609943659495173
Energy: 0.36788206801021867
Energy: 0.4060994365989992
Energy: 0.36788206801100837
Energy: 0.4060994365965806
Energy: 0.36788206801184753
Energy: 0.3584769082199314
Energy: 0.3631540568045294
Energy: 0.3584701614967961
Energy: 0.3631540571874189
Energy: 0.35847690822427514
Energy: 0.36315405662949696
Energy: 0.41403172222396667
Energy: 0.35718222341776956
Energy: 0.41403172222312756
Energy: 0.35718222342211325
Energy: 0.4140317222220416
Energy: 0.3571822234207312
Energy: 0.36503968886013183
Energy: 0.3611294166346789
Energy: 0.36503968886200755
Energy: 0.3611294166325071
Energy: 0.36503968886121785
Energy: 0.36112941663739373
Energy: 0.3808200450529293
Energy: 0.34808037923197577
Energy: 0.38082004505238637
Energy: 0.3480803792260031
Energy: 0.38082004504670985
Energy: 0.3480803792260031
Energy: 0.364728857508586
Energy: 0.39137947231580766
Energy: 0.3647288575094251
Energy: 0.39137947231333964
Energy: 0.3647288575105111
Energy: 0.39137947231333964
Energy: 0.4022187895182835
Energy: 0.3505391649862674
Energy: 0.4022187895161117
Energy: 0.3505391649895252
Energy: 0.40221878951315004
Energy: 0.3505391649895252
Energy: 0.3937744067688444
Energy: 0.36634316075390244
Energy: 0.3950510007888815
Energy: 0.3663431607607142
Energy: 0.3937744067718061
Energy: 0.3663431607579994
Energy: 0.38453937175554337
Energy: 0.3618522752634093
Energy: 0.38453937175391445
Energy: 0.3618522752617804
Energy: 0.3845393717558395
Energy: 0.3618522752612374
Energy: 0.3581486915882359
Energy: 0.3831086241090145
Energy: 0.35814869158364543
Energy: 0.38310862410822477
Energy: 0.3581486915863602
Energy: 0.38310862411010044
Energy: 0.3773241667701462
Energy: 0.3784957722056549
Energy: 0.37732416676580244
Energy: 0.37849577220294006
Energy: 0.3773241667652595
Energy: 0.37849577220264385
Energy: 0.3795767355167423
Energy: 0.3656737526041425
Energy: 0.3796604048695969
Energy: 0.3656737526084862
Energy: 0.37957673551975335
Energy: 0.36567375260957213

minimum gb energy = 0.33714190053776993 eV
minimum distance =  2.64115536501528 Angstroms
sigma value = 81


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

Energy: 0.4275114580795835
Energy: 0.36913384333834076
Energy: 0.3624337424007631
Energy: 0.36913384333834076
Energy: 0.4275114580795835
Energy: 0.3691338433372229
Energy: 0.34421320855001253
Energy: 0.33964345775920785
Energy: 0.34421320855075777
Energy: 0.33964345775920785
Energy: 0.34421320854963994
Energy: 0.339643457756227
Energy: 0.39559634732623994
Energy: 0.32110921934001413
Energy: 0.39614682550845576
Energy: 0.32110921934001413
Energy: 0.39559634733294685
Energy: 0.32110921933926895
Energy: 0.3560246227933043
Energy: 0.3876143954135289
Energy: 0.3560246227914412
Energy: 0.38761439541203846
Energy: 0.3560246227933043
Energy: 0.38761439541017545
Energy: 0.3418817407992291
Energy: 0.3211729755897429
Energy: 0.3418817407996018
Energy: 0.3211729755897429
Energy: 0.3418817407992291
Energy: 0.3211729755893703
Energy: 0.34316669027117663
Energy: 0.32071930637485324
Energy: 0.3431666902700926
Energy: 0.3207193063744806
Energy: 0.3431666902715492
Energy: 0.32071930637891805
Energy: 0.31620180785241625
Energy: 0.32015751572672946
Energy: 0.31620180785204366
Energy: 0.3201575157271021
Energy: 0.3162018078527889
Energy: 0.32015751572337603
Energy: 0.3720232524908242
Energy: 0.34577445439291465
Energy: 0.3721640769065756
Energy: 0.34577445439291465
Energy: 0.3720232524908242
Energy: 0.345774454392542
Energy: 0.4259982666035966
Energy: 0.36738918420094197
Energy: 0.42599826660285145
Energy: 0.36738918419907896
Energy: 0.42599826660583223
Energy: 0.3673891842001968
Energy: 0.369458613364895
Energy: 0.4510732531531831
Energy: 0.36945861336414976
Energy: 0.45107325315392827
Energy: 0.3694586133645224
Energy: 0.4510732531528105
Energy: 0.34916370792284607
Energy: 0.3386931444502035
Energy: 0.34916370792023776
Energy: 0.3386931444502035
Energy: 0.34916370792284607
Energy: 0.3386931444524391
Energy: 0.32174078527662053
Energy: 0.34144316077823544
Energy: 0.3217407852728944
Energy: 0.34144316077823544
Energy: 0.3217407852762479
Energy: 0.3414431607804711
Energy: 0.3444675561893821
Energy: 0.3421407135143459
Energy: 0.3444675561890094
Energy: 0.3421407135147184
Energy: 0.3444675561893821
Energy: 0.3421407135173267
Energy: 0.3679225137907325
Energy: 0.3214781359795833
Energy: 0.36792251379334073
Energy: 0.3214781359635613
Energy: 0.3679225137914777
Energy: 0.3214781359639339
Energy: 0.39032953413613897
Energy: 0.3248953978566511
Energy: 0.3903295341383746
Energy: 0.3248953978566511
Energy: 0.39032953413613897
Energy: 0.32489539785516075
Energy: 0.37256819731886903
Energy: 0.3202343569620522
Energy: 0.3725681973196143
Energy: 0.3202343569620522
Energy: 0.37256819731886903
Energy: 0.3202343569639152
Energy: 0.3740635936139285
Energy: 0.32113160634256055
Energy: 0.3740635936172819
Energy: 0.32113160634218796
Energy: 0.3740635936139285
Energy: 0.32113160634591403
Energy: 0.3237469545305893
Energy: 0.3806884152312352
Energy: 0.32367994137093514
Energy: 0.3806884152316078
Energy: 0.3237469545302166
Energy: 0.38068841523049
Energy: 0.32629292861176207
Energy: 0.3351290035084765
Energy: 0.3262929286098991
Energy: 0.33512900363174164
Energy: 0.32629292861176207
Energy: 0.33512900350698616
Energy: 0.3881400968601675
Energy: 0.4127991175316147
Energy: 0.38814009685830453
Energy: 0.4127991175319874
Energy: 0.3881400968605402
Energy: 0.4127991175349683
Energy: 0.32098374606839714
Energy: 0.34239710016666347
Energy: 0.320983746071378
Energy: 0.34239710016666347
Energy: 0.3209837460676519
Energy: 0.3423971001685265
Energy: 0.3439568431656088
Energy: 0.3398592938200937
Energy: 0.3203473806086515
Energy: 0.3398592938200937
Energy: 0.3439568431656088
Energy: 0.3398592938193485
Energy: 0.34420895124357553
Energy: 0.31773042234734583
Energy: 0.32013199352134514
Energy: 0.3177304223477185
Energy: 0.34420895124357553
Energy: 0.3177304223428746
Energy: 0.3770233154045071
Energy: 0.34201045677551534
Energy: 0.3770233154067427
Energy: 0.34201045677551534
Energy: 0.37702331540487966
Energy: 0.3420104567743975
Energy: 0.36755783553314514
Energy: 0.4237826152242609
Energy: 0.36755783553683735
Energy: 0.42378261522314314
Energy: 0.36755783553389043
Energy: 0.42378261522500615
Energy: 0.3270987553501535
Energy: 0.453649679714655
Energy: 0.3270987553560813
Energy: 0.4536496797142824
Energy: 0.3270987553501535
Energy: 0.4536496797109289
Energy: 0.32408732580157446
Energy: 0.3563561771676918
Energy: 0.3240873257993388
Energy: 0.35635617716992746
Energy: 0.32408732580157446
Energy: 0.3563561771632205
Energy: 0.37238477599801845
Energy: 0.32104057427805743
Energy: 0.37238477600062675
Energy: 0.32104057427805743
Energy: 0.3723847759983911
Energy: 0.32104057427619437
Energy: 0.33978672378869124
Energy: 0.3438410397130437
Energy: 0.339669170784863
Energy: 0.3438410397126711
Energy: 0.33978672378869124
Energy: 0.3438410397074546
Energy: 0.3215191334533228
Energy: 0.3253482671571939
Energy: 0.32151913345369537
Energy: 0.32534826715682125
Energy: 0.321519133454068
Energy: 0.3253482671579391
Energy: 0.38710673395049433
Energy: 0.3887762707326825
Energy: 0.3871067339519847
Energy: 0.3887762707326825
Energy: 0.38710673395049433
Energy: 0.38877627073156457
Energy: 0.3204993464179897
Energy: 0.34217511635147607
Energy: 0.32049934641873495
Energy: 0.34217511635147607
Energy: 0.3204993464176171
Energy: 0.3421751163533391
Energy: 0.3216758661916263
Energy: 0.34378715164047036
Energy: 0.3216758661908811
Energy: 0.34378715164047036
Energy: 0.32167586619125377
Energy: 0.3437871516467708
Energy: 0.32613905737221494
Energy: 0.31578785514244817
Energy: 0.3261390573748232
Energy: 0.31578785514244817
Energy: 0.32613905737221494
Energy: 0.31578785514542906
Energy: 0.390175250087029
Energy: 0.45029981520632983
Energy: 0.3903231868554427
Energy: 0.45029981520558465
Energy: 0.39017525008777426
Energy: 0.4502998152059573
Energy: 0.41594284182759417
Energy: 0.3870574950051909
Energy: 0.41594284183057506
Energy: 0.3870574950074265
Energy: 0.41594284182759417
Energy: 0.38705749500630865
Energy: 0.33967201919899453
Energy: 0.3211037867256426
Energy: 0.33967201919862194
Energy: 0.32110378672526996
Energy: 0.3396720191993672
Energy: 0.32110378672601514
Energy: 0.3391820205760462
Energy: 0.320117413052368
Energy: 0.3391820205749284
Energy: 0.3201174130527406
Energy: 0.33918202057567365
Energy: 0.32011741305497626

minimum gb energy = 0.31578785514244817 eV
minimum distance =  2.6995806209066 Angstroms
sigma value = 43


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

Energy: 0.4319528700315498
Energy: 0.33002632031115087
Energy: 0.4319528700310921
Energy: 0.33002632031115087
Energy: 0.4319528700310921
Energy: 0.33002632031115087
Energy: 0.373655832180986
Energy: 0.3311293011552244
Energy: 0.37365583218144366
Energy: 0.331129301155682
Energy: 0.37365583218007065
Energy: 0.331129301155682
Energy: 0.358720597831909
Energy: 0.42331781840458027
Energy: 0.358720597831909
Energy: 0.423317818405038
Energy: 0.358720597831909
Energy: 0.423317818405038
Energy: 0.34657179243102915
Energy: 0.35639622751374417
Energy: 0.34657179243102915
Energy: 0.35639622751282884
Energy: 0.34657179242965613
Energy: 0.35639622751282884
Energy: 0.3429751258192189
Energy: 0.3737295568555928
Energy: 0.3429751258192189
Energy: 0.3737295568555928
Energy: 0.34297512581967654
Energy: 0.37372955685513515
Energy: 0.3514182363489214
Energy: 0.3590442155754697
Energy: 0.3514182363489214
Energy: 0.3590442155754697
Energy: 0.3514182363484637
Energy: 0.3590442155754697
Energy: 0.3520172377221796
Energy: 0.39350925522698454
Energy: 0.3520172377230949
Energy: 0.39350925522698454
Energy: 0.3520172377230949
Energy: 0.39350925522698454
Energy: 0.3503671444867437
Energy: 0.36908757720837
Energy: 0.3503671444862861
Energy: 0.36908757720882773
Energy: 0.3503671444867437
Energy: 0.36908757720837
Energy: 0.385961409871003
Energy: 0.33663642514738357
Energy: 0.385961409871003
Energy: 0.33663642514738357
Energy: 0.385961409871003
Energy: 0.33663642514738357
Energy: 0.3533269170019367
Energy: 0.3622896228941946
Energy: 0.3533269170019367
Energy: 0.3622896228941946
Energy: 0.3533269170019367
Energy: 0.3622896228937369
Energy: 0.342498481120576
Energy: 0.3397463640771857
Energy: 0.342498481120576
Energy: 0.3397463640849663
Energy: 0.34249848112103365
Energy: 0.33974636407398195
Energy: 0.3516856835471344
Energy: 0.34582115849452905
Energy: 0.3516856835475921
Energy: 0.34582115849452905
Energy: 0.3516856835466768
Energy: 0.34582115849407136
Energy: 0.3780098814425801
Energy: 0.36001645165462415
Energy: 0.3784056192962379
Energy: 0.36001645165462415
Energy: 0.3784043560687224
Energy: 0.36001645165462415
Energy: 0.3187191627014546
Energy: 0.409195174429559
Energy: 0.3187191627009969
Energy: 0.40919517442910136
Energy: 0.3187191627009969
Energy: 0.409195174429559
Energy: 0.34244310808437484
Energy: 0.3738777500390768
Energy: 0.3424431080848325
Energy: 0.3738777500390768
Energy: 0.34244310808437484
Energy: 0.37387775003861906
Energy: 0.36742576578424435
Energy: 0.354366619358801
Energy: 0.36742576578424435
Energy: 0.3543666193578856
Energy: 0.36742576578424435
Energy: 0.354366619358801
Energy: 0.37940186364330203
Energy: 0.33043802485644086
Energy: 0.3794018636437597
Energy: 0.33043802485689855
Energy: 0.37940186364192896
Energy: 0.33043802485644086
Energy: 0.39252260238761494
Energy: 0.3565027723002915
Energy: 0.39252260238807263
Energy: 0.3565027723002915
Energy: 0.39252260238761494
Energy: 0.3565027723002915
Energy: 0.3826913242870275
Energy: 0.3500474217205586
Energy: 0.3826913242874852
Energy: 0.3500474217205586
Energy: 0.38269132428565444
Energy: 0.3500474217210163
Energy: 0.3996319354125898
Energy: 0.34365160601242467
Energy: 0.39963193541213216
Energy: 0.34365160601242467
Energy: 0.3996319354116744
Energy: 0.343651606011967
Energy: 0.36625689457625454
Energy: 0.3710507433429428
Energy: 0.36625689457625454
Energy: 0.3710507433429428
Energy: 0.36625689457579685
Energy: 0.3710507433429428
Energy: 0.39160062602938606
Energy: 0.3751888219148191
Energy: 0.39160062602892837
Energy: 0.37518882191436137
Energy: 0.39160062602938606
Energy: 0.37518882191436137
Energy: 0.31882563865143987
Energy: 0.38273684286366944
Energy: 0.31882563865235525
Energy: 0.3827368428641271
Energy: 0.31882563865235525
Energy: 0.3827368428641271
Energy: 0.38776636728445996
Energy: 0.359844693332196
Energy: 0.38776636728583297
Energy: 0.359844693332196
Energy: 0.38776636728491765
Energy: 0.359844693332196
Energy: 0.35008268478725946
Energy: 0.3495650737390203
Energy: 0.35008268478771715
Energy: 0.3495650737390203
Energy: 0.35008268478771715
Energy: 0.3495650737390203
Energy: 0.38976542011696086
Energy: 0.36391591192529166
Energy: 0.38976542011558785
Energy: 0.36391591192483397
Energy: 0.3897654201165032
Energy: 0.36391591192483397
Energy: 0.36048948833261996
Energy: 0.3309039962482105
Energy: 0.36048948833216227
Energy: 0.3309039962482105
Energy: 0.36048948833261996
Energy: 0.330903996244549
Energy: 0.4079256972688665
Energy: 0.3517978731426923
Energy: 0.4079256972679512
Energy: 0.3517978731426923
Energy: 0.4079256972674935
Energy: 0.3517978731426923
Energy: 0.3496360633623654
Energy: 0.3697863581432564
Energy: 0.34963606336371766
Energy: 0.3697863581432564
Energy: 0.3496360633623654
Energy: 0.3697863581432564
Energy: 0.37045880321810776
Energy: 0.3805221420581089
Energy: 0.3704588032190231
Energy: 0.38052214205856655
Energy: 0.37045880321765007
Energy: 0.3805221420581089
Energy: 0.35209426305495745
Energy: 0.35922972214074433
Energy: 0.3520942630544998
Energy: 0.35922972214074433
Energy: 0.3520942630544998
Energy: 0.3592297221402867

minimum gb energy = 0.3187191627009969 eV
minimum distance =  2.65442882430164 Angstroms
sigma value = 57


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

Energy: 0.3646269477111679
Energy: 0.31567682030509664
Energy: 0.3646269477111679
Energy: 0.315676820304504
Energy: 0.3646269477117605
Energy: 0.315676820304504
Energy: 0.35451008958833063
Energy: 0.32141105764401756
Energy: 0.3545100895895158
Energy: 0.32141105764401756
Energy: 0.35451008958892316
Energy: 0.32141105764401756
Energy: 0.3659942030368507
Energy: 0.4007369790434671
Energy: 0.3659942030374433
Energy: 0.4007369790428745
Energy: 0.3659942030368507
Energy: 0.4007369790428745
Energy: 0.36389592953789024
Energy: 0.3745154605579841
Energy: 0.3638959295384828
Energy: 0.3745154605585767
Energy: 0.3638959295384828
Energy: 0.3745154605585767
Energy: 0.3339844217743627
Energy: 0.37332012329296504
Energy: 0.3339844217737701
Energy: 0.37332012329296504
Energy: 0.3339844217743627
Energy: 0.37332012329296504
Energy: 0.36481963171965853
Energy: 0.32121247296145927
Energy: 0.3648196317190659
Energy: 0.3212124729608667
Energy: 0.36481963171788073
Energy: 0.32121247296145927
Energy: 0.3630875018273958
Energy: 0.3970102060917179
Energy: 0.3630875018273958
Energy: 0.3970102060917179
Energy: 0.3630875018279884
Energy: 0.3970102060917179
Energy: 0.364129778224348
Energy: 0.31940080226280665
Energy: 0.3641297782249406
Energy: 0.31940080226280665
Energy: 0.3641297782237554
Energy: 0.31940080226280665
Energy: 0.33949747142761477
Energy: 0.31724047530430965
Energy: 0.33949747142939257
Energy: 0.31724047530430965
Energy: 0.3394974714282074
Energy: 0.31724047530430965
Energy: 0.32019077385239847
Energy: 0.3556334213241088
Energy: 0.3201907738529911
Energy: 0.3556334213241088
Energy: 0.3201907738529911
Energy: 0.3556334213241088
Energy: 0.36321462064244936
Energy: 0.3761716046894452
Energy: 0.3632146206448197
Energy: 0.3761716046894452
Energy: 0.3632146206430419
Energy: 0.3761716046894452
Energy: 0.33497547755792106
Energy: 0.38033523958088167
Energy: 0.33497547755792106
Energy: 0.38033523958206683
Energy: 0.33497547755792106
Energy: 0.3803352395814742
Energy: 0.3600699137614979
Energy: 0.31722964585951946
Energy: 0.3600699137638682
Energy: 0.31722964585951946
Energy: 0.3600699137632757
Energy: 0.317229645860112
Energy: 0.36806725227017306
Energy: 0.3241038559902435
Energy: 0.3680672522695804
Energy: 0.3241038559902435
Energy: 0.3680672522695804
Energy: 0.3241038559902435
Energy: 0.3335166377522668
Energy: 0.3199624256670701
Energy: 0.3335166377510816
Energy: 0.3199624256670701
Energy: 0.33351663775345197
Energy: 0.3199624256670701
Energy: 0.3355067612484798
Energy: 0.3156667601911518
Energy: 0.3355067612484798
Energy: 0.3156667601911518
Energy: 0.3355067612484798
Energy: 0.3156667601911518
Energy: 0.3105456953925238
Energy: 0.3536532817290161
Energy: 0.31054569539311644
Energy: 0.3536532817379051
Energy: 0.31054569539311644
Energy: 0.35365328173494215
Energy: 0.36183911741269564
Energy: 0.31708577397516585
Energy: 0.3618391174138808
Energy: 0.31708577397516585
Energy: 0.36183911741210306
Energy: 0.31708577397516585
Energy: 0.3105801331267966
Energy: 0.3536965728287565
Energy: 0.31058013312501886
Energy: 0.3536965728287565
Energy: 0.310580133126204
Energy: 0.3536965728287565
Energy: 0.33526090193395575
Energy: 0.31564950218904114
Energy: 0.3352609019351409
Energy: 0.31564950218904114
Energy: 0.3352609019345483
Energy: 0.31564950218904114
Energy: 0.33346132744097046
Energy: 0.32004470658202855
Energy: 0.3334613274386
Energy: 0.32004470658202855
Energy: 0.3334613274380075
Energy: 0.32004470658202855
Energy: 0.3982840207079281
Energy: 0.36301383741314397
Energy: 0.3982840207073355
Energy: 0.36301383741314397
Energy: 0.39828402070852065
Energy: 0.36301383741314397
Energy: 0.36008797663752845
Energy: 0.31723071307216827
Energy: 0.36008797663871367
Energy: 0.31723071307216827
Energy: 0.36008797663871367
Energy: 0.31723071307216827
Energy: 0.33486737169429015
Energy: 0.38034786156160644
Energy: 0.33486737169429015
Energy: 0.3803478615621991
Energy: 0.33486737169429015
Energy: 0.38034786156160644

minimum gb energy = 0.3105456953925238 eV
minimum distance =  2.67033806109246 Angstroms
sigma value = 17


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

Energy: 0.3391488404842778
Energy: 0.32933310165588625
Energy: 0.33914884048511584
Energy: 0.32933310165588625
Energy: 0.33914884048511584
Energy: 0.32933310165588625
Energy: 0.3208890949751216
Energy: 0.32287946075941304
Energy: 0.3208890949751216
Energy: 0.32287946075941304
Energy: 0.3208890949751216
Energy: 0.32287946075941304
Energy: 0.3498691452907476
Energy: 0.38012508954337854
Energy: 0.3498691452915856
Energy: 0.38012508954337854
Energy: 0.34986914529242374
Energy: 0.38012508954254043
Energy: 0.29934927446792675
Energy: 0.37231853304563534
Energy: 0.29934927446792675
Energy: 0.37231853304563534
Energy: 0.29934927446708876
Energy: 0.37231853304563534
Energy: 0.33181880776356115
Energy: 0.35972546337217
Energy: 0.331818807761047
Energy: 0.35972546337217
Energy: 0.331818807761885
Energy: 0.35972546337217
Energy: 0.33878981580718537
Energy: 0.3653462868809354
Energy: 0.33878981580718537
Energy: 0.3653462868809354
Energy: 0.33878981580718537
Energy: 0.3653462868809354
Energy: 0.3477779865972801
Energy: 0.32114047220869496
Energy: 0.3477779865981181
Energy: 0.32114047220869496
Energy: 0.3477779865972801
Energy: 0.32114047220869496
Energy: 0.29065077837685566
Energy: 0.351991658451407
Energy: 0.29065077837685566
Energy: 0.35199165845056896
Energy: 0.29065077837685566
Energy: 0.351991658451407
Energy: 0.3546024952387788
Energy: 0.32565381818836586
Energy: 0.35460249523961695
Energy: 0.32565381818836586
Energy: 0.3546024952387788
Energy: 0.32565381818836586
Energy: 0.3425941276234812
Energy: 0.3203825373017052
Energy: 0.34259412762431923
Energy: 0.32038253730254324
Energy: 0.3425941276234812
Energy: 0.3203825373017052
Energy: 0.33767294978194995
Energy: 0.31324075189891787
Energy: 0.33767294978278806
Energy: 0.31324075189891787
Energy: 0.33767294978278806
Energy: 0.31324075189891787
Energy: 0.32926651342013835
Energy: 0.32734126001840824
Energy: 0.32926651341930036
Energy: 0.32734126001840824
Energy: 0.32926651341930036
Energy: 0.32734126001840824
Energy: 0.30342028099874707
Energy: 0.3665568723967595
Energy: 0.30342028099874707
Energy: 0.3665568723967595
Energy: 0.30342028099874707
Energy: 0.3665568723967595
Energy: 0.3424020760378787
Energy: 0.3599892261054279
Energy: 0.3424020760378787
Energy: 0.3599892261054279
Energy: 0.3424020760387167
Energy: 0.3599892261054279
Energy: 0.3418629148276197
Energy: 0.4053123017174154
Energy: 0.3418629148267816
Energy: 0.4053123017174154
Energy: 0.3418629148276197
Energy: 0.4053123017174154
Energy: 0.3432307013518308
Energy: 0.36558966591698544
Energy: 0.3432307013509927
Energy: 0.36558966591698544
Energy: 0.3432307013518308
Energy: 0.36558966591698544
Energy: 0.3422980289984615
Energy: 0.35975361506478315
Energy: 0.3422980289984615
Energy: 0.35975361506478315
Energy: 0.3422980289984615
Energy: 0.35975361506478315

minimum gb energy = 0.29065077837685566 eV
minimum distance =  2.6360919974838 Angstroms
sigma value = 17


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

Energy: 0.33897240760646985
Energy: 0.3036902087082709
Energy: 0.33897240760744074
Energy: 0.3036902087082709
Energy: 0.3389724076067935
Energy: 0.3036902087082709
Energy: 0.31281421588663477
Energy: 0.2991206877332903
Energy: 0.31281421588534025
Energy: 0.2991206877339376
Energy: 0.31281421588728203
Energy: 0.2991206877332903
Energy: 0.33923020116791724
Energy: 0.3221670311538272
Energy: 0.33923020116727
Energy: 0.3221670311535036
Energy: 0.3392302011682409
Energy: 0.3221670311538272
Energy: 0.2978677256303596
Energy: 0.32542569029940493
Energy: 0.2978677256310069
Energy: 0.32542569029940493
Energy: 0.2978677256313305
Energy: 0.32542569029940493
Energy: 0.3481849612166695
Energy: 0.29642942262067984
Energy: 0.3481849612192585
Energy: 0.2964294226203562
Energy: 0.3481849612189349
Energy: 0.2964294226203562
Energy: 0.3254286221815145
Energy: 0.31299484766268665
Energy: 0.32542862218086727
Energy: 0.3129948476659229
Energy: 0.32542862218086727
Energy: 0.3129948476659229
Energy: 0.31221638369897053
Energy: 0.31211601137963957
Energy: 0.31221638369929416
Energy: 0.31211601137963957
Energy: 0.3122163837005887
Energy: 0.31211601137963957
Energy: 0.31764326491661327
Energy: 0.3456666417207958
Energy: 0.31764326491790773
Energy: 0.3456666417207958
Energy: 0.31764326491726047
Energy: 0.3456666417204722
Energy: 0.31811428991959734
Energy: 0.3279149981341022
Energy: 0.31811428991895
Energy: 0.3279149981341022
Energy: 0.3181142899202446
Energy: 0.32791499813377856
Energy: 0.31075818594011323
Energy: 0.2799866991536117
Energy: 0.31075818593720056
Energy: 0.2799866991536117
Energy: 0.31075818593914234
Energy: 0.2799866991536117
Energy: 0.285885152832386
Energy: 0.37745156680562836
Energy: 0.28588515283270965
Energy: 0.37745156680562836
Energy: 0.2858851528333569
Energy: 0.37745156680595204
Energy: 0.34204763095734486
Energy: 0.30314249850137864
Energy: 0.3420476309592867
Energy: 0.3031424985026731
Energy: 0.342047630958963
Energy: 0.30314249850105496
Energy: 0.33898654170059417
Energy: 0.30430626826674156
Energy: 0.3389865417022123
Energy: 0.30430626826674156
Energy: 0.3389865417018887
Energy: 0.30430626826674156
Energy: 0.31163954660659665
Energy: 0.34065042235110105
Energy: 0.311639546608862
Energy: 0.3406504223507774
Energy: 0.3116395466078911
Energy: 0.34065042235110105
Energy: 0.3227582266765844
Energy: 0.3028349838437386
Energy: 0.3227582266756135
Energy: 0.30283498384276764
Energy: 0.3227582266749662
Energy: 0.30283498384276764
Energy: 0.2907559206723587
Energy: 0.32397194509380123
Energy: 0.2907559206720351
Energy: 0.32397194509380123
Energy: 0.29075592067171147
Energy: 0.3239719450934776
Energy: 0.31611721353202576
Energy: 0.3197635819954985
Energy: 0.3161172135323494
Energy: 0.3197635819954985
Energy: 0.31611721353202576
Energy: 0.3197635819954985
Energy: 0.3262760242813482
Energy: 0.3852150808331363
Energy: 0.32627602428037733
Energy: 0.3852150808331363
Energy: 0.32627602428037733
Energy: 0.3852150808331363
Energy: 0.3146185853981581
Energy: 0.32461983612804757
Energy: 0.31461858539654
Energy: 0.3246198361312838
Energy: 0.31461858539751086
Energy: 0.3246198361306366
Energy: 0.3155280360082832
Energy: 0.315250241774921
Energy: 0.31552803600860685
Energy: 0.3152502417752446
Energy: 0.31552803600860685
Energy: 0.315250241774921
Energy: 0.32107217404012317
Energy: 0.32426143421870685
Energy: 0.32107217403882865
Energy: 0.3242614342190305
Energy: 0.32107217403979954
Energy: 0.32426143421773596
Energy: 0.3262546440963972
Energy: 0.3851752762529349
Energy: 0.3262546440954263
Energy: 0.3851752762526113
Energy: 0.3262546440980153
Energy: 0.3851752762529349
Energy: 0.3162408465383703
Energy: 0.31973723777233215
Energy: 0.31624084653513407
Energy: 0.31973723777233215
Energy: 0.31624084653675216
Energy: 0.3197372377720086
Energy: 0.29082628637320873
Energy: 0.34799494143053095
Energy: 0.2908262863725615
Energy: 0.3479949414302073
Energy: 0.2908262863725615
Energy: 0.34799494143053095
Energy: 0.3226619073157657
Energy: 0.302790267189369
Energy: 0.32266190731094074
Energy: 0.3027902671909872
Energy: 0.32266190731706024
Energy: 0.3027902671874273
Energy: 0.31147691734707994
Energy: 0.34064633529642147
Energy: 0.31147691734805083
Energy: 0.3406463352967451
Energy: 0.31147691734772726
Energy: 0.3406463352970687
Energy: 0.3389007837690758
Energy: 0.30407755012561744
Energy: 0.33890078376875216
Energy: 0.3040775501252938
Energy: 0.3389007837690758
Energy: 0.30407755012594107
Energy: 0.34227806954016665
Energy: 0.30300314143412127
Energy: 0.34227806953793066
Energy: 0.3030031414289432
Energy: 0.3422780695385779
Energy: 0.3030031414279723
Energy: 0.28579856509022833
Energy: 0.3773901004106184
Energy: 0.2857985650911993
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Energy: 0.2857985650899047
Energy: 0.3773901004106184
Energy: 0.3111115518305917
Energy: 0.32466229776750694
Energy: 0.3111115518292971
Energy: 0.3246622977671833
Energy: 0.3111115518309153
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Energy: 0.3182415842833195
Energy: 0.3282281785523925
Energy: 0.3182415842823486
Energy: 0.32822817855206887
Energy: 0.3182415842842904
Energy: 0.32822817855206887
Energy: 0.3192352358252002
Energy: 0.3457813620752823
Energy: 0.3192352358252002
Energy: 0.34578136207431137
Energy: 0.31923523582487656
Energy: 0.345781362074635
Energy: 0.31342844268890974
Energy: 0.31182358464294974
Energy: 0.31342844268890974
Energy: 0.31182358464294974
Energy: 0.313428442686968
Energy: 0.3118235846423025
Energy: 0.32527672708918126
Energy: 0.302529421496814
Energy: 0.32527672709015215
Energy: 0.30252942149616674
Energy: 0.3252767270898285
Energy: 0.302529421496814
Energy: 0.34845098966964794
Energy: 0.2960792179977704
Energy: 0.3484509896670589
Energy: 0.29607921804563814
Energy: 0.3484509896690007
Energy: 0.2960792179964759
Energy: 0.29788629218187795
Energy: 0.32610433001271383
Energy: 0.29788629218187795
Energy: 0.32610433001271383
Energy: 0.29788629218187795
Energy: 0.32610433001271383
Energy: 0.33935677095273076
Energy: 0.3221794723539062
Energy: 0.339356770953378
Energy: 0.3221794723539062
Energy: 0.3393567709524071
Energy: 0.3221794723539062
Energy: 0.3130447688791286
Energy: 0.3002880521147313
Energy: 0.3130447688797759
Energy: 0.3002880521147313
Energy: 0.3130447688784813
Energy: 0.30028805211505494
Energy: 0.33897240760744074
Energy: 0.30369020870891816
Energy: 0.338972407608088
Energy: 0.3036902087092418
Energy: 0.33897240760776437
Energy: 0.3036902087092418
Energy: 0.3128142158856639
Energy: 0.2991206877229342
Energy: 0.3128142158856639
Energy: 0.29912068772552325
Energy: 0.3128142158859875
Energy: 0.29912068772228695
Energy: 0.3392302011714772
Energy: 0.32216703115544537
Energy: 0.3392302011695354
Energy: 0.32216703115512174
Energy: 0.33923020117115354
Energy: 0.32216703115544537
Energy: 0.2978677256323014
Energy: 0.3330495979832525
Energy: 0.29786772563262504
Energy: 0.3330495979832525
Energy: 0.2978677256319778
Energy: 0.3330495979832525
Energy: 0.3481849612166695
Energy: 0.29642942262294525
Energy: 0.34818496121537496
Energy: 0.29642942262294525
Energy: 0.3481849612137568
Energy: 0.296429422622298

minimum gb energy = 0.2799866991536117 eV
minimum distance =  2.66790540996614 Angstroms
sigma value = 57


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

Energy: 0.2908362007122581
Energy: 0.2851075814697057
Energy: 0.2908362007154198
Energy: 0.2851075814691788
Energy: 0.2908362007154198
Energy: 0.2851075814697057
Energy: 0.33152189800961984
Energy: 0.2819317805639287
Energy: 0.3315218980090929
Energy: 0.28193178056445567
Energy: 0.3315218980101468
Energy: 0.2819317805639287
Energy: 0.31879813792758394
Energy: 0.30192876746883945
Energy: 0.31879813792653006
Energy: 0.3019287674698933
Energy: 0.31879813792758394
Energy: 0.30192876746883945
Energy: 0.27268310116842714
Energy: 0.3113805087438747
Energy: 0.27268310117053496
Energy: 0.3113805087438747
Energy: 0.2726831011689541
Energy: 0.3113805087438747
Energy: 0.32146966491869317
Energy: 0.277346631903415
Energy: 0.3214696649192201
Energy: 0.277346631903415
Energy: 0.3214696649192201
Energy: 0.277346631903415
Energy: 0.3080724855619117
Energy: 0.2818873110649637
Energy: 0.3080724855598039
Energy: 0.2818873110654906
Energy: 0.3080724855613847
Energy: 0.2818873110649637
Energy: 0.3483013202313763
Energy: 0.2995855629001678
Energy: 0.34830132023243016
Energy: 0.2995855628996409
Energy: 0.3483013202319032
Energy: 0.2995855628991139
Energy: 0.3619338622221602
Energy: 0.29364726374033223
Energy: 0.36193386222163315
Energy: 0.2936472637350628
Energy: 0.3619338622221602
Energy: 0.29364726373980526
Energy: 0.2831861711403361
Energy: 0.2822327219431916
Energy: 0.2831861711403361
Energy: 0.28223272194371857
Energy: 0.2831861711403361
Energy: 0.2822327219426647
Energy: 0.28952279076326987
Energy: 0.2881589133276455
Energy: 0.28952279076379683
Energy: 0.28815891332711857
Energy: 0.2895227907616891
Energy: 0.2881589133276455
Energy: 0.34801407982024946
Energy: 0.3540332933785388
Energy: 0.3480140798191955
Energy: 0.35403329337906575
Energy: 0.34801407981866866
Energy: 0.3540332933822274
Energy: 0.29457625991997066
Energy: 0.269899645142885
Energy: 0.29457625991997066
Energy: 0.2698996451418312
Energy: 0.29457625992102454
Energy: 0.2698996451423581
Energy: 0.28753836373890224
Energy: 0.3038615491546646
Energy: 0.2875383637383753
Energy: 0.3038615491546646
Energy: 0.28753836373890224
Energy: 0.3038615491546646
Energy: 0.2719178080590262
Energy: 0.3340377911787217
Energy: 0.2719178080595531
Energy: 0.33403779117977556
Energy: 0.27191780805849924
Energy: 0.3340377911787217
Energy: 0.3162403589307799
Energy: 0.28511105832892697
Energy: 0.3162403589318338
Energy: 0.28511105832734623
Energy: 0.31624035893236074
Energy: 0.2851110583299809
Energy: 0.2873182075979814
Energy: 0.31752855717850387
Energy: 0.2873182075979814
Energy: 0.31752855717745
Energy: 0.28731820759850835
Energy: 0.31752855717797696
Energy: 0.2970124996780288
Energy: 0.3217700717154978
Energy: 0.297012499675394
Energy: 0.32177007171497085
Energy: 0.2970124996775018
Energy: 0.32177007171497085
Energy: 0.3035017299961612
Energy: 0.28849040872751436
Energy: 0.3035017299966881
Energy: 0.2884904087280412
Energy: 0.3035017299972151
Energy: 0.2884904087259335
Energy: 0.27697194594468527
Energy: 0.3373692563474227
Energy: 0.27697194594468527
Energy: 0.3373692563474227
Energy: 0.2769719459441583
Energy: 0.3373692563474227
Energy: 0.2770739142994018
Energy: 0.30686527781811873
Energy: 0.2770739142994018
Energy: 0.30686527781811873
Energy: 0.2770739142999288
Energy: 0.30686527781759176
Energy: 0.308186502990006
Energy: 0.2981098107877851
Energy: 0.30818650299105993
Energy: 0.2981098107877851
Energy: 0.30818650299105993
Energy: 0.29810981078831206
Energy: 0.2729591666524839
Energy: 0.33902727732049365
Energy: 0.2729591666524839
Energy: 0.33902727731996674
Energy: 0.27295916665301084
Energy: 0.33902727731996674
Energy: 0.29607674611726154
Energy: 0.2946921719036667
Energy: 0.2960767461140999
Energy: 0.29469217190419367
Energy: 0.2960767461119921
Energy: 0.2946921719036667
Energy: 0.2966842391376147
Energy: 0.33875533603791513
Energy: 0.2966842391365608
Energy: 0.33875533603791513
Energy: 0.2966842391386686
Energy: 0.3387553360421307
Energy: 0.29826005197037553
Energy: 0.36106748852861903
Energy: 0.29826005197090244
Energy: 0.36106748852809206
Energy: 0.29826005197090244
Energy: 0.36106748852809206
Energy: 0.2871329700532368
Energy: 0.2943629051102985
Energy: 0.2871329700527098
Energy: 0.2943629051097716
Energy: 0.2871329700527098
Energy: 0.2943629051102985
Energy: 0.27258821391425525
Energy: 0.3373178309496588
Energy: 0.2725882139137283
Energy: 0.3373178309491318
Energy: 0.2725882139137283
Energy: 0.3373178309491318

minimum gb energy = 0.2698996451418312 eV
minimum distance =  2.62065395673351 Angstroms
sigma value = 43


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

Energy: 0.27050979427692146
Energy: 0.25383460318277745
Energy: 0.27050979427730537
Energy: 0.25383460318277745
Energy: 0.2705097942780732
Energy: 0.25383460318277745
Energy: 0.2780527116467286
Energy: 0.25765970559401274
Energy: 0.2780527116459608
Energy: 0.2576597055936288
Energy: 0.2780527116459608
Energy: 0.2576597055936288
Energy: 0.2865968907204706
Energy: 0.27500014071934853
Energy: 0.28659689071970273
Energy: 0.27500014071934853
Energy: 0.2865968907204706
Energy: 0.27500014071934853
Energy: 0.2584913469988441
Energy: 0.26576149381295217
Energy: 0.2584913469973083
Energy: 0.26576149381256814
Energy: 0.25849134699961196
Energy: 0.26576149381295217
Energy: 0.278080799901868
Energy: 0.24557749929297074
Energy: 0.2780807999022519
Energy: 0.24557749929297074
Energy: 0.2780807999026359
Energy: 0.24557749929335468
Energy: 0.2627077428319365
Energy: 0.24960434523362163
Energy: 0.2627077428319365
Energy: 0.24960434523362163
Energy: 0.26270774283155257
Energy: 0.24960434523362163
Energy: 0.30669371926266836
Energy: 0.25850253809221196
Energy: 0.30669371926266836
Energy: 0.2585025380899084
Energy: 0.30669371926343625
Energy: 0.2585025380895245
Energy: 0.33846872330026756
Energy: 0.24193799827135276
Energy: 0.3384687233018033
Energy: 0.24193799827135276
Energy: 0.33846872330026756
Energy: 0.24193799827135276
Energy: 0.2509683405962383
Energy: 0.24611089206973116
Energy: 0.2509683405966223
Energy: 0.24611089207049905
Energy: 0.25096834059585443
Energy: 0.24611089207049905
Energy: 0.2793038634956715
Energy: 0.24947323409797148
Energy: 0.2793038634956715
Energy: 0.2494732340975875
Energy: 0.27930386349490366
Energy: 0.24947323409797148
Energy: 0.3011902221436373
Energy: 0.27007898638887595
Energy: 0.30119022214286945
Energy: 0.27007898638887595
Energy: 0.30119022214286945
Energy: 0.270078986388492
Energy: 0.23818727064581358
Energy: 0.2470122961604624
Energy: 0.23818727064504575
Energy: 0.2470122961600785
Energy: 0.23818727064542966
Energy: 0.2470122961600785
Energy: 0.27928111974778186
Energy: 0.23803640648991456
Energy: 0.27928111974778186
Energy: 0.23803640649068245
Energy: 0.2792811197481658
Energy: 0.23803640648991456
Energy: 0.3008304322372472
Energy: 0.2693333045105902
Energy: 0.3008304322372472
Energy: 0.2693333045102062
Energy: 0.3008304322372472
Energy: 0.2693333045098223
Energy: 0.24637452768792548
Energy: 0.24739390759410784
Energy: 0.24637452768946122
Energy: 0.24739390759564361
Energy: 0.24637452768792548
Energy: 0.24739390759410784
Energy: 0.26125649709899657
Energy: 0.2601620274883425
Energy: 0.2612564970993805
Energy: 0.2601620274883425
Energy: 0.2612564970993805
Energy: 0.2601620274883425
Energy: 0.27892971198315114
Energy: 0.29632107699471705
Energy: 0.27892971198238325
Energy: 0.29632107699471705
Energy: 0.27892971198238325
Energy: 0.29632107699471705
Energy: 0.2547021985858531
Energy: 0.27278975279588386
Energy: 0.2547021985866209
Energy: 0.27278975279626777
Energy: 0.2547021985866209
Energy: 0.27278975279588386
Energy: 0.2500949810533145
Energy: 0.2741096673596923
Energy: 0.25009498105101086
Energy: 0.2741096673600762
Energy: 0.25009498105177874
Energy: 0.2741096673596923
Energy: 0.26082281522182205
Energy: 0.27086239481941077
Energy: 0.26082281522143813
Energy: 0.2708623948213305
Energy: 0.2608228152252775
Energy: 0.27086239481941077
Energy: 0.2744737316646589
Energy: 0.2517874299351158
Energy: 0.2744737316650428
Energy: 0.25178742993588366
Energy: 0.2744737316646589
Energy: 0.25178742993549974
Energy: 0.25910121835284544
Energy: 0.27580181475648197
Energy: 0.25910121835322936
Energy: 0.27580181475648197
Energy: 0.25910121835284544
Energy: 0.27580181475648197
Energy: 0.2657563545221677
Energy: 0.2754995507441677
Energy: 0.2657563545225517
Energy: 0.27549955074455174
Energy: 0.2657563545225517
Energy: 0.27549955074455174
Energy: 0.28800045247511313
Energy: 0.25160927484029355
Energy: 0.28800045247511313
Energy: 0.2516092748399096
Energy: 0.2880004524747292
Energy: 0.2516092748395257
Energy: 0.2382430743566472
Energy: 0.27018224275782365
Energy: 0.2382430743574151
Energy: 0.2701822427566719
Energy: 0.2382430743574151
Energy: 0.2701822427582076
Energy: 0.24355906011601
Energy: 0.26527085896429986
Energy: 0.24355906011524212
Energy: 0.26527085896429986
Energy: 0.24355906011524212
Energy: 0.26527085896429986
Energy: 0.26833752270825606
Energy: 0.24352036787167017
Energy: 0.26833752270825606
Energy: 0.24352036787243805
Energy: 0.2683375227074882
Energy: 0.24352036787128625
Energy: 0.23493849642054157
Energy: 0.2682602454304353
Energy: 0.23493849642054157
Energy: 0.2682602454304353
Energy: 0.23493849642054157
Energy: 0.2682602454304353
Energy: 0.2435362038388588
Energy: 0.24984635824212392
Energy: 0.24353620383732305
Energy: 0.24984635824212392
Energy: 0.2435362038380909
Energy: 0.24984635824173998
Energy: 0.2441889820683527
Energy: 0.2418403683462488
Energy: 0.2441889820683527
Energy: 0.2418403683527757
Energy: 0.244188982066433
Energy: 0.2418403683435613
Energy: 0.232135878807813
Energy: 0.2696963498244687
Energy: 0.23213587880742903
Energy: 0.26969634982370083
Energy: 0.23213587880819692
Energy: 0.26969634982370083
Energy: 0.2438802829773054
Energy: 0.2420578024424316
Energy: 0.24388028297692144
Energy: 0.2420578024420477
Energy: 0.2438802829761536
Energy: 0.2420578024420477
Energy: 0.23715230325461023
Energy: 0.2698760224951629
Energy: 0.2371523032549942
Energy: 0.269876022494779
Energy: 0.23715230325422632
Energy: 0.269876022494779
Energy: 0.27993156176976325
Energy: 0.322375782632636
Energy: 0.27993156176861145
Energy: 0.322375782632636
Energy: 0.27993156176976325
Energy: 0.322375782632636
Energy: 0.2440479347201265
Energy: 0.23508681480607807
Energy: 0.24404793472127834
Energy: 0.235086814806462
Energy: 0.24404793472051045
Energy: 0.23508681480607807
Energy: 0.2196422059647133
Energy: 0.2694329274725234
Energy: 0.2196422059647133
Energy: 0.2694329274725234
Energy: 0.21964220596548112
Energy: 0.2694329274725234

minimum gb energy = 0.2196422059647133 eV
minimum distance =  2.61846679645672 Angstroms
sigma value = 81


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

Energy: 0.11322369098675203
Energy: 0.1272289062701208
Energy: 0.011211855737852381
Energy: 0.1272289062701208
Energy: 0.11322369098675203
Energy: 0.12722890627140318
Energy: 0.2942938132158626
Energy: 0.04904328896447981
Energy: 0.2942938132151573
Energy: 0.049043288964624086
Energy: 0.2942938132158626
Energy: 0.0490432889654737
Energy: 0.2751044426446436
Energy: 0.011779708699666491
Energy: 0.2751044426450604
Energy: 0.011779708699666491
Energy: 0.2751044426446436
Energy: 0.01177970869952222
Energy: 0.011211855738140927
Energy: 0.12722890627026506
Energy: 0.011211855737996653
Energy: 0.12722890627026506
Energy: 0.011211855737996653
Energy: 0.1272289062716757
Energy: 0.29429381321656795
Energy: 0.04904328896447981
Energy: 0.29429381321599085
Energy: 0.049043288964624086
Energy: 0.29429381321656795
Energy: 0.049043288965185144
Energy: 0.2751044426450604
Energy: 0.011779708700516096
Energy: 0.27510444264562145
Energy: 0.011779708700371825
Energy: 0.2751044426450604
Energy: 0.011779708699666491
Energy: 0.11322369098745735
Energy: 0.1272289062695597
Energy: 0.011211855737996653
Energy: 0.12722890626941546
Energy: 0.11322369098732914
Energy: 0.12722890627082611
Energy: 0.2942938132158626
Energy: 0.049043288963630215
Energy: 0.2942938132152855
Energy: 0.049043288963918755
Energy: 0.29429381321599085
Energy: 0.049043288964191266
Energy: 0.2751044426450604
Energy: 0.01177970869952222
Energy: 0.275104442645349
Energy: 0.011779708699666491
Energy: 0.2751044426452047
Energy: 0.011779708699666491
Energy: 0.011211855738140927
Energy: 0.12722890627040934
Energy: 0.011211855738140927
Energy: 0.12722890627026506
Energy: 0.011211855737996653
Energy: 0.1272289062716757

minimum gb energy = 0.011211855737852381 eV
minimum distance =  2.79912842674142 Angstroms
sigma value = 3


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

Energy: 0.22766194337005105
Energy: 0.22568793825109223
Energy: 0.22766194337005105
Energy: 0.22568793825109223
Energy: 0.2276619433704732
Energy: 0.22568793825109223
Energy: 0.19397575445224483
Energy: 0.22622888666492386
Energy: 0.19397575445182264
Energy: 0.22622888666492386
Energy: 0.19397575445224483
Energy: 0.22622888666492386
Energy: 0.22846656639782986
Energy: 0.22248142478415606
Energy: 0.2474778501499375
Energy: 0.2224814247837339
Energy: 0.228466566398252
Energy: 0.2224814247837339
Energy: 0.221716519798837
Energy: 0.2471436759482513
Energy: 0.221716519798837
Energy: 0.24714367594867342
Energy: 0.221716519798837
Energy: 0.2471436759482513
Energy: 0.19526453877509964
Energy: 0.22780363735906187
Energy: 0.19526453877509964
Energy: 0.22780363736201686
Energy: 0.1952645387746775
Energy: 0.2278036373615947
Energy: 0.22891267403620594
Energy: 0.22686779291870848
Energy: 0.22891267403536164
Energy: 0.22686779291870848
Energy: 0.22891267403620594
Energy: 0.2268677929191306
Energy: 0.2283667923533796
Energy: 0.21782061504689665
Energy: 0.22836679235295743
Energy: 0.21782061504647454
Energy: 0.2283667923525353
Energy: 0.21782061504689665
Energy: 0.1938737673093135
Energy: 0.22672843702845627
Energy: 0.1938737673072028
Energy: 0.22672843702845627
Energy: 0.1938737673063585
Energy: 0.22672843702845627
Energy: 0.2333228730832384
Energy: 0.22934968782220316
Energy: 0.2333228730840827
Energy: 0.22934968782135887
Energy: 0.23332287308366056
Energy: 0.22934968782220316
Energy: 0.21279679667591392
Energy: 0.2112515340888189
Energy: 0.21279679667338103
Energy: 0.2112515340888189
Energy: 0.2127967966750696
Energy: 0.2112515340888189
Energy: 0.2058688550261308
Energy: 0.21947038840575184
Energy: 0.2058688550261308
Energy: 0.21947038840532965
Energy: 0.20586885502697508
Energy: 0.21947038840617392
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Energy: 0.24081839796029111
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Energy: 0.24081839796029111
Energy: 0.23862358648184176
Energy: 0.24081839796029111
Energy: 0.22135845791172593
Energy: 0.1996880647888888
Energy: 0.2213584579113038
Energy: 0.1996880647888888
Energy: 0.22135845791172593
Energy: 0.1996880647888888
Energy: 0.21452232765010093
Energy: 0.20867792136038285
Energy: 0.21452232765010093
Energy: 0.20867792135996074
Energy: 0.21452232765010093
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Energy: 0.22718555396340423
Energy: 0.23455198405864927
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Energy: 0.22718555396382636
Energy: 0.23455198405864927
Energy: 0.22432536460474015
Energy: 0.1955025877722219
Energy: 0.22432536460431798
Energy: 0.19550258777264407
Energy: 0.22432536460474015
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Energy: 0.23860723927480368
Energy: 0.1749686846439548
Energy: 0.23860723927480368
Energy: 0.1749686846439548
Energy: 0.23860723927480368
Energy: 0.22833017414012677
Energy: 0.22285789098707587
Energy: 0.22833017414097107
Energy: 0.22285789098665373
Energy: 0.22833017414054893
Energy: 0.22285789098707587
Energy: 0.22523844789574582
Energy: 0.19910666279410633
Energy: 0.2252384478965901
Energy: 0.19910666279410633
Energy: 0.22523844789616793
Energy: 0.19910666279410633
Energy: 0.16928991743023059
Energy: 0.2550318745288649
Energy: 0.16928991743065272
Energy: 0.2550318745301314
Energy: 0.16928991743023059
Energy: 0.2550318745297092
Energy: 0.22439730023612167
Energy: 0.16265416093188936
Energy: 0.22439730023527737
Energy: 0.16265416093231153
Energy: 0.22439730023527737
Energy: 0.1626541609314672
Energy: 0.22018491063379653
Energy: 0.2176501388205459
Energy: 0.2201849106333744
Energy: 0.2176501388205459
Energy: 0.22018491063379653
Energy: 0.2176501388205459
Energy: 0.22405172095339404
Energy: 0.21276332193091782
Energy: 0.2240517209588819
Energy: 0.21276332193091782
Energy: 0.2240517209538162
Energy: 0.21276332193091782
Energy: 0.2266432153236934
Energy: 0.2135485158090171
Energy: 0.2266432153236934
Energy: 0.213548515808595
Energy: 0.22664321532327125
Energy: 0.213548515808595
Energy: 0.22604206891772333
Energy: 0.2276043773223025
Energy: 0.2260420689173012
Energy: 0.22760437732188032
Energy: 0.22604206891772333
Energy: 0.22760437732188032
Energy: 0.2230575995578742
Energy: 0.22634322374105434
Energy: 0.2230575995578742
Energy: 0.2263432237406322
Energy: 0.2230575995578742
Energy: 0.22634322374105434
Energy: 0.2525626412274444
Energy: 0.1906371467349787
Energy: 0.2525626412278665
Energy: 0.1906371467349787
Energy: 0.2525626412274444
Energy: 0.1906371467349787
Energy: 0.2276940320861027
Energy: 0.23608342094087978
Energy: 0.2276940320861027
Energy: 0.23608342094045767
Energy: 0.22769403208652486
Energy: 0.23608342094045767
Energy: 0.21844904135893362
Energy: 0.22550102295091773
Energy: 0.21844904135893362
Energy: 0.22550102295133986
Energy: 0.2184490413593558
Energy: 0.22550102295133986
Energy: 0.25337332176606714
Energy: 0.2037891952689463
Energy: 0.25337332176564503
Energy: 0.20378919526936848
Energy: 0.25337332176564503
Energy: 0.2037891952689463
Energy: 0.23355619536982153
Energy: 0.23345459303710495
Energy: 0.23355619537024366
Energy: 0.23345459303710495
Energy: 0.23355619536982153
Energy: 0.23345459303710495
Energy: 0.20875655763715253
Energy: 0.21971191509281698
Energy: 0.20875655763757467
Energy: 0.2197119150923949
Energy: 0.20875655763715253
Energy: 0.21971191509323917
Energy: 0.23277674946583438
Energy: 0.22625329395057397
Energy: 0.23277674946625654
Energy: 0.22625329395099614
Energy: 0.23277674946583438
Energy: 0.22625329395057397

minimum gb energy = 0.1626541609314672 eV
minimum distance =  2.67564840262608 Angstroms
sigma value = 67


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

Energy: 0.304953661617021
Energy: 0.28387176762316774
Energy: 0.304953661617021
Energy: 0.28387176762316774
Energy: 0.3049536616176225
Energy: 0.28387176762316774
Energy: 0.2836054197256043
Energy: 0.2873008234449356
Energy: 0.2836054197244013
Energy: 0.2873008234449356
Energy: 0.2836054197244013
Energy: 0.28730082344433416
Energy: 0.30200663904847247
Energy: 0.2925442590431789
Energy: 0.30200663904847247
Energy: 0.2925442590431789
Energy: 0.3190820680297585
Energy: 0.2925442590431789
Energy: 0.2993016324885455
Energy: 0.2912154252805443
Energy: 0.299301632487944
Energy: 0.2912154252805443
Energy: 0.2993016324885455
Energy: 0.2912154252805443
Energy: 0.2591335552552313
Energy: 0.2794117226978208
Energy: 0.2591335552552313
Energy: 0.2794117226972193
Energy: 0.2591335552546298
Energy: 0.2794117226972193
Energy: 0.2982991764879043
Energy: 0.29341270613048687
Energy: 0.2982991764891073
Energy: 0.29341270613048687
Energy: 0.2982991764879043
Energy: 0.29341270613108844
Energy: 0.2794164048110959
Energy: 0.2790196930481584
Energy: 0.2794164048110959
Energy: 0.2790196930481584
Energy: 0.2794164048104944
Energy: 0.2790196930487599
Energy: 0.2818131094258339
Energy: 0.2784138419056642
Energy: 0.2818131094258339
Energy: 0.27841384190506274
Energy: 0.2818131094264354
Energy: 0.27841384190506274
Energy: 0.3062000920625602
Energy: 0.3105559496088901
Energy: 0.3062000920619587
Energy: 0.3105559496088901
Energy: 0.3062000920619587
Energy: 0.3105559496088901
Energy: 0.2895164728491666
Energy: 0.2637651630292022
Energy: 0.2895164728497681
Energy: 0.2637651630279991
Energy: 0.28951647285036963
Energy: 0.26376516302860065
Energy: 0.3204459182912298
Energy: 0.2962210349593161
Energy: 0.32044591829183133
Energy: 0.2962210349593161
Energy: 0.32044591829183133
Energy: 0.2962210349593161
Energy: 0.2823248497336265
Energy: 0.294224989121517
Energy: 0.28232484973242344
Energy: 0.2942249891209155
Energy: 0.28232484973302496
Energy: 0.2942249891209155
Energy: 0.2896557803251462
Energy: 0.28151365560744007
Energy: 0.2896557803257478
Energy: 0.28151365560744007
Energy: 0.2896557803245448
Energy: 0.28151365560804165
Energy: 0.28444742096262976
Energy: 0.2964452288270214
Energy: 0.28444742096202824
Energy: 0.2964452288270214
Energy: 0.28444742096262976
Energy: 0.29644522882762286
Energy: 0.2832059598153107
Energy: 0.281640268132976
Energy: 0.2832059598159123
Energy: 0.281640268132976
Energy: 0.2832059598159123
Energy: 0.281640268132976
Energy: 0.2962413044514285
Energy: 0.2856741452861055
Energy: 0.2962413044514285
Energy: 0.2856741452861055
Energy: 0.29624130445203
Energy: 0.2856741452861055
Energy: 0.29262448602576185
Energy: 0.29580527089517605
Energy: 0.29262448602395724
Energy: 0.29580527089517605
Energy: 0.29262448602576185
Energy: 0.29580527089517605
Energy: 0.28528315235261
Energy: 0.27723643593385955
Energy: 0.28528315235381296
Energy: 0.27723643593385955
Energy: 0.28528315235321144
Energy: 0.27723643593446107
Energy: 0.29349110845007964
Energy: 0.2995293144602928
Energy: 0.29349110845007964
Energy: 0.2995293144602928
Energy: 0.29349110845007964
Energy: 0.2995293144602928
Energy: 0.25884005700052837
Energy: 0.2938318123158776
Energy: 0.2588400569993253
Energy: 0.2938318123158776
Energy: 0.25884005700173135
Energy: 0.2938318123152761
Energy: 0.30509382185457956
Energy: 0.28282882002870635
Energy: 0.3050938218569855
Energy: 0.2828288200281048
Energy: 0.30509382185457956
Energy: 0.28282882002870635
Energy: 0.3029270709606832
Energy: 0.3102529227416191
Energy: 0.3029270709606832
Energy: 0.3102529227416191
Energy: 0.3029270709606832
Energy: 0.3102529227422206
Energy: 0.2767558226577217
Energy: 0.2936188744923423
Energy: 0.2767558226571201
Energy: 0.2936188744923423
Energy: 0.2767558226571201
Energy: 0.2936188744923423

minimum gb energy = 0.2588400569993253 eV
minimum distance =  2.67464422416475 Angstroms
sigma value = 33


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

Energy: 0.34156262975892193
Energy: 0.32011113154308013
Energy: 0.3415626297581587
Energy: 0.32011113154269855
Energy: 0.34156262975892193
Energy: 0.32011113154308013
Energy: 0.3185906088200402
Energy: 0.3397550024041765
Energy: 0.31859060881965856
Energy: 0.33975500240379486
Energy: 0.3185906088204218
Energy: 0.3397550024041765
Energy: 0.33574081596838884
Energy: 0.3291737344904841
Energy: 0.33574081596915206
Energy: 0.3291737344904841
Energy: 0.33574081596838884
Energy: 0.3291737344904841
Energy: 0.33596560008720666
Energy: 0.3291128147937321
Energy: 0.33596560008796983
Energy: 0.3291128147933505
Energy: 0.3359656000883514
Energy: 0.3291128147933505
Energy: 0.3268478166770343
Energy: 0.32565907766930313
Energy: 0.3268478166762711
Energy: 0.32565907766930313
Energy: 0.32684781667741586
Energy: 0.32565907766930313
Energy: 0.3550818606672545
Energy: 0.33534513195960886
Energy: 0.3550818606672545
Energy: 0.3508907843073136
Energy: 0.3550818606668729
Energy: 0.35089078430807674
Energy: 0.3199222137329093
Energy: 0.31311010313421805
Energy: 0.3199222137321462
Energy: 0.31311010313421805
Energy: 0.3199222137321462
Energy: 0.31311010313421805
Energy: 0.33833448415070067
Energy: 0.3377821445954682
Energy: 0.3383344841503191
Energy: 0.33778214459584976
Energy: 0.3383344841499375
Energy: 0.3377821445954682
Energy: 0.33574427271197443
Energy: 0.3411746396222004
Energy: 0.3357442727104481
Energy: 0.3411746396222004
Energy: 0.33574427271197443
Energy: 0.3411746396222004
Energy: 0.34062341757256553
Energy: 0.3138890710378506
Energy: 0.34062341757180237
Energy: 0.3317113156894246
Energy: 0.3406234175729472
Energy: 0.3317113156894246
Energy: 0.3408907914690971
Energy: 0.3317927690810639
Energy: 0.3408907914698603
Energy: 0.3317927690810639
Energy: 0.34089079146833395
Energy: 0.3317927690814455
Energy: 0.3214224647927801
Energy: 0.32293435285642047
Energy: 0.32142246479125375
Energy: 0.32293435285642047
Energy: 0.3214224647923985
Energy: 0.32293435285642047
Energy: 0.34172149713137884
Energy: 0.32097784712967803
Energy: 0.34172149713137884
Energy: 0.32097784712967803
Energy: 0.34172149713176037
Energy: 0.32097784712929645
Energy: 0.32314291722276
Energy: 0.33104257618580973
Energy: 0.32314291722276
Energy: 0.33104257618542815
Energy: 0.32314291722314165
Energy: 0.33104257618580973
Energy: 0.33159467720412034
Energy: 0.326533862591098
Energy: 0.33159467720412034
Energy: 0.326533862591098
Energy: 0.3315946772045019
Energy: 0.326533862591098
Energy: 0.3354340656766529
Energy: 0.3393680912751108
Energy: 0.3354340656766529
Energy: 0.3393680912751108
Energy: 0.33543406567741607
Energy: 0.3393680912747292
Energy: 0.3030608637505968
Energy: 0.3298437033506206
Energy: 0.30306086375021524
Energy: 0.329843703350239
Energy: 0.30306086375097835
Energy: 0.3298437033506206
Energy: 0.3458261294112213
Energy: 0.3567992776949921
Energy: 0.3458261294108397
Energy: 0.3567992776949921
Energy: 0.3458261294112213
Energy: 0.3567992776949921
Energy: 0.321422324585406
Energy: 0.3395268599368151
Energy: 0.32142232458464287
Energy: 0.3395268599368151
Energy: 0.321422324585406
Energy: 0.3395268599368151
Energy: 0.32349330707416163
Energy: 0.3302516307035769
Energy: 0.3234933070749248
Energy: 0.33025163070395847
Energy: 0.32349330707416163
Energy: 0.33025163070395847
Energy: 0.335558752553263
Energy: 0.3377046558903509
Energy: 0.33555875255135514
Energy: 0.3377046558903509
Energy: 0.335558752553263
Energy: 0.33770465588996934
Energy: 0.3268359326315793
Energy: 0.31751947320676654
Energy: 0.3268359326308161
Energy: 0.31751947320676654
Energy: 0.3268359326319609
Energy: 0.31751947320676654
Energy: 0.33525374028821947
Energy: 0.33211188789785856
Energy: 0.33525374028821947
Energy: 0.3321118878974769
Energy: 0.3352537402889827
Energy: 0.33211188789785856
Energy: 0.3401953526370973
Energy: 0.3211347448245599
Energy: 0.34019535263557094
Energy: 0.3211347448249415
Energy: 0.3401953526363341
Energy: 0.3211347448245599
Energy: 0.3187272683600706
Energy: 0.32014931880579356
Energy: 0.3187272683600706
Energy: 0.32014931880579356
Energy: 0.318727268359689
Energy: 0.3201493188054119
Energy: 0.34479766586248356
Energy: 0.33379692725217486
Energy: 0.34479766586286514
Energy: 0.33379692725217486
Energy: 0.3447976658617204
Energy: 0.33379692725217486
Energy: 0.31919101353373175
Energy: 0.3176737161657527
Energy: 0.31919101353449486
Energy: 0.3176737161657527
Energy: 0.31919101353449486
Energy: 0.3176737161657527
Energy: 0.335855031473235
Energy: 0.35203579901911897
Energy: 0.3358550314736165
Energy: 0.35203579901911897
Energy: 0.3358550314728534
Energy: 0.35203579901911897
Energy: 0.3251301746311839
Energy: 0.3249480828529475
Energy: 0.32513017463080224
Energy: 0.3249480828533291
Energy: 0.32513017463080224
Energy: 0.3249480828529475
Energy: 0.31539941423002904
Energy: 0.31527644252905135
Energy: 0.31539941423002904
Energy: 0.3152764425286697
Energy: 0.31539941422964746
Energy: 0.3152764425286697
Energy: 0.35532458937987105
Energy: 0.3508862906120645
Energy: 0.3553245893791079
Energy: 0.3508862906120645
Energy: 0.35532458937948946
Energy: 0.3508862906120645
Energy: 0.3277478302566193
Energy: 0.32901999178314384
Energy: 0.32774783025738247
Energy: 0.32901999178276226
Energy: 0.32774783025738247
Energy: 0.32901999178276226
Energy: 0.33844746422167166
Energy: 0.33708122526616957
Energy: 0.3384474642212901
Energy: 0.33708122526655115
Energy: 0.3384474642212901
Energy: 0.3370812252673143
Energy: 0.32843161026233836
Energy: 0.3261879203498515
Energy: 0.3284316102615752
Energy: 0.3261879203498515
Energy: 0.3284316102619568
Energy: 0.3261879203502331
Energy: 0.3205393096246807
Energy: 0.3294864739018873
Energy: 0.32053930962544386
Energy: 0.3294864739015057
Energy: 0.32053930962544386
Energy: 0.3294864739015057
Energy: 0.3400785430217308
Energy: 0.3186554849341977
Energy: 0.3400785430232572
Energy: 0.3186554849341977
Energy: 0.34007854302249396
Energy: 0.3186554849341977
Energy: 0.32106198052010737
Energy: 0.325534031562796
Energy: 0.3210619805204889
Energy: 0.325534031562796
Energy: 0.32106198052087054
Energy: 0.325534031562796

minimum gb energy = 0.30306086375021524 eV
minimum distance =  2.65184333226937 Angstroms
sigma value = 41


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

Energy: 0.4019700790544427
Energy: 0.38740520192499694
Energy: 0.4019700790544427
Energy: 0.38740520192499694
Energy: 0.4019700790544427
Energy: 0.38740520192499694
Energy: 0.3758037202861486
Energy: 0.3914722436709038
Energy: 0.3758037202861486
Energy: 0.3914722436709038
Energy: 0.3758037202871905
Energy: 0.3914722436709038
Energy: 0.427839414256238
Energy: 0.386022748786368
Energy: 0.4430704252286982
Energy: 0.386022748786368
Energy: 0.4188043142659341
Energy: 0.386022748786368
Energy: 0.39824611916754227
Energy: 0.404031789534371
Energy: 0.39824611916754227
Energy: 0.404031789534371
Energy: 0.39824611916754227
Energy: 0.404031789534371
Energy: 0.3798708324035381
Energy: 0.3842317770204943
Energy: 0.3798708324035381
Energy: 0.3842317770204943
Energy: 0.3798708324024962
Energy: 0.3842317770204943
Energy: 0.43148710772551746
Energy: 0.41482493754334976
Energy: 0.43148710772655935
Energy: 0.41482493754334976
Energy: 0.43148710772551746
Energy: 0.41482493754334976
Energy: 0.39761903900656465
Energy: 0.3687167385890577
Energy: 0.39761903900656465
Energy: 0.3687167385890577
Energy: 0.39761903900656465
Energy: 0.3687167385890577
Energy: 0.401153132564883
Energy: 0.38860292496486765
Energy: 0.401153132564883
Energy: 0.38860292496486765
Energy: 0.401153132564883
Energy: 0.38860292496486765
Energy: 0.3488791575690101
Energy: 0.3781153142830673
Energy: 0.3488791575700283
Energy: 0.3781153142830673
Energy: 0.3488791575690101
Energy: 0.3781153142830673
Energy: 0.3989913057663127
Energy: 0.39014420683915774
Energy: 0.3989913057663127
Energy: 0.39014420683915774
Energy: 0.3989913057663127
Energy: 0.39014420683915774
Energy: 0.375571051784874
Energy: 0.38604071516855115
Energy: 0.37557105178591577
Energy: 0.38604071516855115
Energy: 0.375571051784874
Energy: 0.38604071516855115
Energy: 0.3952818534601992
Energy: 0.39269671708041
Energy: 0.3952818534601992
Energy: 0.39269671708041
Energy: 0.3952818534601992
Energy: 0.39269671708041
Energy: 0.3536090085102512
Energy: 0.40404050319305634
Energy: 0.3536090085102512
Energy: 0.40404050319305634
Energy: 0.3536090085102512
Energy: 0.40404050319305634
Energy: 0.37524113984520757
Energy: 0.38936201533331644
Energy: 0.37524113984624946
Energy: 0.38936201533331644
Energy: 0.37524113984520757
Energy: 0.38936201533227466

minimum gb energy = 0.3488791575690101 eV
minimum distance =  2.63706249321514 Angstroms
sigma value = 11


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

Energy: 0.47611297306662026
Energy: 0.458169913274066
Energy: 0.47611297306570494
Energy: 0.458169913274066
Energy: 0.47611297306662026
Energy: 0.458169913274066
Energy: 0.4158799921794891
Energy: 0.4384248493912664
Energy: 0.41587999217994676
Energy: 0.4384248493912664
Energy: 0.4158799921790313
Energy: 0.43842484939080867
Energy: 0.45167753741103817
Energy: 0.44045942601962823
Energy: 0.45167753741149586
Energy: 0.44045942601962823
Energy: 0.45167753741149586
Energy: 0.44045942601962823
Energy: 0.44030311256657273
Energy: 0.41661755542044376
Energy: 0.44030311256657273
Energy: 0.41661755542044376
Energy: 0.44030311256657273
Energy: 0.41661755542044376
Energy: 0.4458656764396696
Energy: 0.4368967704470068
Energy: 0.4458656764392119
Energy: 0.4368967704470068
Energy: 0.44586567643875424
Energy: 0.4368967704470068
Energy: 0.4269244177788632
Energy: 0.45001456040291055
Energy: 0.42692441777932094
Energy: 0.45001456040291055
Energy: 0.4269244177784055
Energy: 0.45001456040291055
Energy: 0.43902923972711866
Energy: 0.42853135710718715
Energy: 0.43902923972666097
Energy: 0.42853135710718715
Energy: 0.43902923972711866
Energy: 0.42853135710718715
Energy: 0.43452720813885903
Energy: 0.44133489552823557
Energy: 0.43452720813885903
Energy: 0.44133489552823557
Energy: 0.43452720813885903
Energy: 0.44133489552823557
Energy: 0.44163702844511243
Energy: 0.43138015971891563
Energy: 0.44163702844557007
Energy: 0.43138015971891563
Energy: 0.44163702844557007
Energy: 0.43138015971891563
Energy: 0.43606945345275994
Energy: 0.4397757425812925
Energy: 0.43606945345275994
Energy: 0.43977574258175023
Energy: 0.43606945345275994
Energy: 0.4397757425812925
Energy: 0.4318259315870078
Energy: 0.436841769523901
Energy: 0.4318259315870078
Energy: 0.436841769523901
Energy: 0.4318259315870078
Energy: 0.436841769523901
Energy: 0.44512714274423565
Energy: 0.4408625482831289
Energy: 0.44512714274423565
Energy: 0.4408625482831289
Energy: 0.44512714274423565
Energy: 0.4408625482831289
Energy: 0.44103916935088994
Energy: 0.42911333196272966
Energy: 0.44103916935088994
Energy: 0.42911333196272966
Energy: 0.44103916935088994
Energy: 0.42911333196272966
Energy: 0.43857135414315984
Energy: 0.44656558847449573
Energy: 0.43857135414270215
Energy: 0.44656558847449573
Energy: 0.43857135414315984
Energy: 0.44656558847449573
Energy: 0.4298999400584454
Energy: 0.4345691944055689
Energy: 0.4298999400584454
Energy: 0.43456919440511116
Energy: 0.42989994005753
Energy: 0.4345691944055689
Energy: 0.43914508038341066
Energy: 0.42836443466206187
Energy: 0.43914508038386835
Energy: 0.42836443466206187
Energy: 0.43914508038341066
Energy: 0.42836443466206187
Energy: 0.4219805583179264
Energy: 0.43579757934273156
Energy: 0.4219805583179264
Energy: 0.43579757934273156
Energy: 0.4219805583174688
Energy: 0.43579757934273156
Energy: 0.4551446831017675
Energy: 0.44461999461284374
Energy: 0.4551446831017675
Energy: 0.444619994612386
Energy: 0.4551446831017675
Energy: 0.44461999461284374
Energy: 0.4293849970460373
Energy: 0.40821091794161185
Energy: 0.4293849970460373
Energy: 0.40821091794161185
Energy: 0.4293849970460373
Energy: 0.40821091794161185
Energy: 0.43098562340409907
Energy: 0.4359763103397783
Energy: 0.4309856234036414
Energy: 0.4359763103397783
Energy: 0.43098562340409907
Energy: 0.4359763103397783
Energy: 0.4189283629410983
Energy: 0.4300671571967431
Energy: 0.41892836294155594
Energy: 0.4300671571967431
Energy: 0.41892836294155594
Energy: 0.4300671571967431
Energy: 0.4578496098777961
Energy: 0.45129718086393955
Energy: 0.4578496098787114
Energy: 0.4512971808643973
Energy: 0.4578496098787114
Energy: 0.45129718086393955
Energy: 0.43495057961907196
Energy: 0.4409694719581904
Energy: 0.43495057961907196
Energy: 0.4409694719581904
Energy: 0.43495057961907196
Energy: 0.4409694719581904
Energy: 0.4535093981217663
Energy: 0.43862037009716554
Energy: 0.4535093981213087
Energy: 0.43862037009716554
Energy: 0.453509398122224
Energy: 0.43862037009716554
Energy: 0.436063980918497
Energy: 0.436511646922244
Energy: 0.4360639809175817
Energy: 0.436511646922244
Energy: 0.436063980918497
Energy: 0.436511646922244
Energy: 0.4245662994810956
Energy: 0.4367634149168787
Energy: 0.42456629947926483
Energy: 0.4367634149168787
Energy: 0.42456629948063795
Energy: 0.4367634149168787
Energy: 0.42669379182434003
Energy: 0.4534644878801285
Energy: 0.42669379182342465
Energy: 0.45346448788058624
Energy: 0.4266937918238824
Energy: 0.45346448788058624
Energy: 0.4464615344148586
Energy: 0.43024164091595407
Energy: 0.4464615344148586
Energy: 0.43024164091595407
Energy: 0.4464615344148586
Energy: 0.43024164091595407
Energy: 0.436965413755724
Energy: 0.44250638770558764
Energy: 0.43696541375618164
Energy: 0.44250638770558764
Energy: 0.436965413755724
Energy: 0.4425063877051299
Energy: 0.43061807763142074
Energy: 0.4162889137715737
Energy: 0.43061807763233606
Energy: 0.4162889137715737
Energy: 0.43061807763142074
Energy: 0.4162889137715737
Energy: 0.4362432859159807
Energy: 0.45474425118743705
Energy: 0.43624328591643835
Energy: 0.45474425118789474
Energy: 0.4362432859159807
Energy: 0.45474425118743705

minimum gb energy = 0.40821091794161185 eV
minimum distance =  2.58512641956134 Angstroms
sigma value = 57


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

Energy: 0.42432638832896236
Energy: 0.41258190863423544
Energy: 0.42432638832977676
Energy: 0.41258190863423544
Energy: 0.42432638832896236
Energy: 0.41258190863423544
Energy: 0.445786949326252
Energy: 0.46859830681459735
Energy: 0.4457869493270664
Energy: 0.46859830681459735
Energy: 0.4457869493270664
Energy: 0.46859830681541187
Energy: 0.4494596921595793
Energy: 0.4351428182499148
Energy: 0.4494596921595793
Energy: 0.4351428182499148
Energy: 0.4494596921587649
Energy: 0.4351428182499148
Energy: 0.42375518387371
Energy: 0.4986211364803586
Energy: 0.42375518387371
Energy: 0.4430118939549049
Energy: 0.42375518387371
Energy: 0.4430118939549049
Energy: 0.4531552400087845
Energy: 0.4351475673393948
Energy: 0.4531552400087845
Energy: 0.4351475673393948
Energy: 0.4531552400087845
Energy: 0.4351475673393948
Energy: 0.4458189873778879
Energy: 0.45415678401054554
Energy: 0.4458189873770735
Energy: 0.45415678401054554
Energy: 0.4458189873770735
Energy: 0.45415678401135995
Energy: 0.42432638832977676
Energy: 0.412581908633421
Energy: 0.42432638832977676
Energy: 0.412581908633421
Energy: 0.42432638832977676
Energy: 0.412581908633421
Energy: 0.44578694932788093
Energy: 0.46859830681541187
Energy: 0.44578694932788093
Energy: 0.46859830681541187
Energy: 0.44578694932788093
Energy: 0.46859830681459735
Energy: 0.4494596921587649
Energy: 0.4351428182507292
Energy: 0.4494596921595793
Energy: 0.4351428182507292
Energy: 0.4494596921587649
Energy: 0.4351428182507292
Energy: 0.42375518387371
Energy: 0.4430118939549049
Energy: 0.4237551838745244
Energy: 0.4430118939549049
Energy: 0.42375518387371
Energy: 0.44301189395409046
Energy: 0.45315524000959895
Energy: 0.43514756733858034
Energy: 0.45315524000959895
Energy: 0.43514756733858034
Energy: 0.4531552400087845
Energy: 0.43514756733858034
Energy: 0.4458189873770735
Energy: 0.468220010631878
Energy: 0.445818987376259
Energy: 0.468220010631878
Energy: 0.4458189873770735
Energy: 0.468220010631878
Energy: 0.42432638832896236
Energy: 0.41258190863423544
Energy: 0.42432638832896236
Energy: 0.41258190863423544
Energy: 0.42432638832977676
Energy: 0.41258190863423544
Energy: 0.445786949326252
Energy: 0.46859830681541187
Energy: 0.4457869493270664
Energy: 0.46859830681541187
Energy: 0.445786949326252
Energy: 0.46859830681541187
Energy: 0.4494596921587649
Energy: 0.4351428182499148
Energy: 0.4494596921595793
Energy: 0.4351428182499148
Energy: 0.4494596921587649
Energy: 0.4351428182499148
Energy: 0.42375518387371
Energy: 0.4430118939549049
Energy: 0.42375518387371
Energy: 0.4430118939549049
Energy: 0.42375518387371
Energy: 0.4430118939549049
Energy: 0.4531552400087845
Energy: 0.4351475673393948
Energy: 0.4531552400087845
Energy: 0.4351475673393948
Energy: 0.4531552400087845
Energy: 0.4351475673393948

minimum gb energy = 0.412581908633421 eV
minimum distance =  2.61960765005787 Angstroms
sigma value = 9


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

Energy: 0.46622660619998574
Energy: 0.4338042710623569
Energy: 0.46622660619998574
Energy: 0.4338042710623569
Energy: 0.46622660620065076
Energy: 0.4338042710623569
Energy: 0.44721479435209693
Energy: 0.43335774232594354
Energy: 0.4472147943514319
Energy: 0.43335774232594354
Energy: 0.4472147943514319
Energy: 0.43335774232594354
Energy: 0.45597993037308066
Energy: 0.4477345231440247
Energy: 0.47271859636892655
Energy: 0.4477345231433597
Energy: 0.45597993037308066
Energy: 0.4477345231433597
Energy: 0.43860143206942653
Energy: 0.468743259324735
Energy: 0.43860143206942653
Energy: 0.468743259324735
Energy: 0.43860143207009156
Energy: 0.468743259324735
Energy: 0.4512995307149565
Energy: 0.45238469894777855
Energy: 0.4512995307142915
Energy: 0.4523846989484436
Energy: 0.4512995307149565
Energy: 0.45238469894777855
Energy: 0.4494092995164497
Energy: 0.4532407860191513
Energy: 0.4494092995171148
Energy: 0.4532407860191513
Energy: 0.4494092995171148
Energy: 0.4532407860191513
Energy: 0.4468609487831378
Energy: 0.4497045288953127
Energy: 0.4468609487818078
Energy: 0.4497045288953127
Energy: 0.4468609487831378
Energy: 0.4497045288953127
Energy: 0.44344897840895386
Energy: 0.4594310512358798
Energy: 0.44344897840895386
Energy: 0.4594310512352148
Energy: 0.44344897840895386
Energy: 0.4594310512352148
Energy: 0.47651152944033154
Energy: 0.43364225893049696
Energy: 0.4765115294423265
Energy: 0.4336422589311619
Energy: 0.47651152944033154
Energy: 0.43364225893049696
Energy: 0.44813444405358777
Energy: 0.4420855349136882
Energy: 0.4481344440542528
Energy: 0.4420855349136882
Energy: 0.44813444405358777
Energy: 0.4420855349136882
Energy: 0.4425793347402919
Energy: 0.44968527549627063
Energy: 0.44257933473962685
Energy: 0.44968527549627063
Energy: 0.44257933474095684
Energy: 0.44968527549627063
Energy: 0.4697929879167247
Energy: 0.45546236311306737
Energy: 0.4697929879167247
Energy: 0.45546236311306737
Energy: 0.4697929879167247
Energy: 0.45546236311306737
Energy: 0.44667985032550717
Energy: 0.45800533737978055
Energy: 0.44667985032683716
Energy: 0.45800533737978055
Energy: 0.44667985032550717
Energy: 0.45800533737978055
Energy: 0.44597495391119446
Energy: 0.442596385912939
Energy: 0.44597495390986447
Energy: 0.442596385912939
Energy: 0.4459749539118595
Energy: 0.442596385912939
Energy: 0.4502837449360559
Energy: 0.4497356254306257
Energy: 0.45028374493472595
Energy: 0.4497356254306257
Energy: 0.45028374493472595
Energy: 0.4497356254306257
Energy: 0.46768438479064817
Energy: 0.4508038154980518
Energy: 0.46768438479197816
Energy: 0.4508038154973868
Energy: 0.46768438479064817
Energy: 0.4508038154973868
Energy: 0.4588678410479901
Energy: 0.44563904275796073
Energy: 0.4588678410479901
Energy: 0.44563904275796073
Energy: 0.4588678410479901
Energy: 0.44563904275729577
Energy: 0.4901973966644099
Energy: 0.44894548626096237
Energy: 0.4901973966650749
Energy: 0.44894548626096237
Energy: 0.4901973966637449
Energy: 0.44894548626096237
Energy: 0.4418089093579548
Energy: 0.4449632166477039
Energy: 0.4418089093586199
Energy: 0.4449632166477039
Energy: 0.4418089093586199
Energy: 0.4449632166477039
Energy: 0.44659229444159576
Energy: 0.4340303458701316
Energy: 0.4465922944429258
Energy: 0.43403034587079664
Energy: 0.44659229444159576
Energy: 0.43403034587146166
Energy: 0.467196371964573
Energy: 0.45677345939515424
Energy: 0.467196371964573
Energy: 0.45677345939515424
Energy: 0.467196371964573
Energy: 0.45677345939515424

minimum gb energy = 0.43335774232594354 eV
minimum distance =  2.596922841772 Angstroms
sigma value = 27


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

Energy: 0.47566074993531315
Energy: 0.42564599252492835
Energy: 0.4756607499347526
Energy: 0.42564599252492835
Energy: 0.47566074993531315
Energy: 0.42564599252546337
Energy: 0.45947700841037137
Energy: 0.4297685903857661
Energy: 0.45947700841037137
Energy: 0.42976859038632664
Energy: 0.45947700841037137
Energy: 0.42976859038632664
Energy: 0.43036615223469343
Energy: 0.43619597112830055
Energy: 0.4303661522341329
Energy: 0.43619597112830055
Energy: 0.43036615223469343
Energy: 0.43619597112830055
Energy: 0.43001240798701645
Energy: 0.42655192051786067
Energy: 0.43001240798757706
Energy: 0.42655192051786067
Energy: 0.43001240798701645
Energy: 0.42655192051786067
Energy: 0.42982767655763743
Energy: 0.43472335263151984
Energy: 0.4298276765581979
Energy: 0.43472335263151984
Energy: 0.4298276765587585
Energy: 0.43472335263151984
Energy: 0.43323182053228676
Energy: 0.46875831710276566
Energy: 0.43323182053284737
Energy: 0.46875831710276566
Energy: 0.43323182053172626
Energy: 0.46875831710276566
Energy: 0.4308215754183458
Energy: 0.44144546030225956
Energy: 0.4308215754183458
Energy: 0.44144546030225956
Energy: 0.4308215754183458
Energy: 0.44144546030225956
Energy: 0.4538401981713904
Energy: 0.42761326692022905
Energy: 0.4538401981719509
Energy: 0.42761326692022905
Energy: 0.4538401981708298
Energy: 0.42761326692022905
Energy: 0.42878076050252995
Energy: 0.4413630957318747
Energy: 0.4287807605036511
Energy: 0.4413630957318747
Energy: 0.42878076050477215
Energy: 0.4413630957318747
Energy: 0.4666390184851046
Energy: 0.42761928080240014
Energy: 0.466639018484544
Energy: 0.42761928080240014
Energy: 0.466639018484544
Energy: 0.42761928080240014
Energy: 0.4644902171716308
Energy: 0.43992057025281234
Energy: 0.4644902171716308
Energy: 0.43992057025281234
Energy: 0.4644902171716308
Energy: 0.43992057025281234
Energy: 0.4429519620577333
Energy: 0.4334574633083199
Energy: 0.44295196205661214
Energy: 0.4334574633083199
Energy: 0.4429519620577333
Energy: 0.4334574633083199
Energy: 0.44839872195804137
Energy: 0.4410470476496297
Energy: 0.44839872195748076
Energy: 0.4410470476490692
Energy: 0.44839872195748076
Energy: 0.4410470476496297
Energy: 0.4399722974120788
Energy: 0.42968175200939684
Energy: 0.4399722974120788
Energy: 0.42968175200939684
Energy: 0.4399722974120788
Energy: 0.42968175200939684
Energy: 0.430539577897604
Energy: 0.47308854782381776
Energy: 0.4305395778981646
Energy: 0.47308854782381776
Energy: 0.430539577897604
Energy: 0.47308854782381776
Energy: 0.4356986930489623
Energy: 0.4350044940549177
Energy: 0.43569869304952286
Energy: 0.4350044940549177
Energy: 0.43569869304952286
Energy: 0.4350044940549177
Energy: 0.4308699375226353
Energy: 0.4290888355278278
Energy: 0.4308699375226353
Energy: 0.4290888355278278
Energy: 0.4308699375226353
Energy: 0.4290888355278278
Energy: 0.42659930542636476
Energy: 0.4308081072821598
Energy: 0.42659930542636476
Energy: 0.4308081072821598
Energy: 0.4265993054269253
Energy: 0.4308081072821598
Energy: 0.40881082385203144
Energy: 0.43005507038264795
Energy: 0.4088108238509104
Energy: 0.43005507038264795
Energy: 0.4088108238509104
Energy: 0.43005507038264795
Energy: 0.475660749940358
Energy: 0.4256459925260239
Energy: 0.475660749940358
Energy: 0.4256459925260239
Energy: 0.4756607499409185
Energy: 0.4256459925260239
Energy: 0.45947700841149247
Energy: 0.4297685903868872
Energy: 0.45947700841149247
Energy: 0.4297685903868872
Energy: 0.459477008412053
Energy: 0.42976859038632664
Energy: 0.4303661522335724
Energy: 0.43619597112886105
Energy: 0.4303661522341329
Energy: 0.43619597112886105
Energy: 0.4303661522341329
Energy: 0.43619597112886105
Energy: 0.43001240798701645
Energy: 0.426551920516179
Energy: 0.43001240798757706
Energy: 0.426551920516179
Energy: 0.43001240798701645
Energy: 0.426551920516179
Energy: 0.4298276765559558
Energy: 0.4347233526309593
Energy: 0.4298276765553953
Energy: 0.4347233526309593
Energy: 0.42982767655651627
Energy: 0.4347233526309593
Energy: 0.43323182053452897
Energy: 0.46875831710276566
Energy: 0.43323182053565007
Energy: 0.46875831710276566
Energy: 0.43323182053452897
Energy: 0.46875831710276566

minimum gb energy = 0.4088108238509104 eV
minimum distance =  2.60644849334213 Angstroms
sigma value = 19


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

Energy: 0.43630046121198035
Energy: 0.43173153679779225
Energy: 0.43630046121149646
Energy: 0.4317315367973084
Energy: 0.43630046121198035
Energy: 0.4317315367973084
Energy: 0.429211264060528
Energy: 0.42535287445813424
Energy: 0.4292112640610119
Energy: 0.42535287445813424
Energy: 0.4292112640600442
Energy: 0.42535287445813424
Energy: 0.4311341577140816
Energy: 0.4158202623271088
Energy: 0.4311341577140816
Energy: 0.4158202623271088
Energy: 0.4311341577140816
Energy: 0.41582026232759267
Energy: 0.42118621160757896
Energy: 0.430628779952476
Energy: 0.42118621160806285
Energy: 0.430628779952476
Energy: 0.42118621160806285
Energy: 0.430628779952476
Energy: 0.429279026471939
Energy: 0.43010347293493684
Energy: 0.4292790264729067
Energy: 0.43010347293493684
Energy: 0.429279026471939
Energy: 0.43010347293493684
Energy: 0.4247868368687271
Energy: 0.42431737446357265
Energy: 0.4247868368687271
Energy: 0.42431737446357265
Energy: 0.4247868368687271
Energy: 0.42431737446357265
Energy: 0.41394234301134675
Energy: 0.4622726693791663
Energy: 0.41394234301134675
Energy: 0.4622726693791663
Energy: 0.41394234301183047
Energy: 0.4622726693786824
Energy: 0.4261106685942709
Energy: 0.43629202546797846
Energy: 0.4261106685952385
Energy: 0.43629202546797846
Energy: 0.4261106685942709
Energy: 0.43629202546797846
Energy: 0.4493635983958091
Energy: 0.4153647485756218
Energy: 0.4493635983958091
Energy: 0.4153647485756218
Energy: 0.4493635983962929
Energy: 0.4153647485756218
Energy: 0.43518823288608943
Energy: 0.4270978421875645
Energy: 0.4351882328865733
Energy: 0.4270978421875645
Energy: 0.4351882328865733
Energy: 0.4270978421875645
Energy: 0.42073325080482826
Energy: 0.4362376993132208
Energy: 0.4207332508043444
Energy: 0.4362376993127369
Energy: 0.42073325080482826
Energy: 0.4362376993127369
Energy: 0.43075162049991217
Energy: 0.4150602617746664
Energy: 0.43075162049894444
Energy: 0.4150602617741826
Energy: 0.4307516204994283
Energy: 0.4150602617746664
Energy: 0.42692486309162625
Energy: 0.4258428836065222
Energy: 0.42692486309065864
Energy: 0.4258428836065222
Energy: 0.42692486309162625
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Energy: 0.4226780908331421
Energy: 0.42545920641619833
Energy: 0.4226780908331421
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Energy: 0.4226780908331421
Energy: 0.4254592064157145
Energy: 0.43708307594624723
Energy: 0.4209166270217137
Energy: 0.43708307594576334
Energy: 0.4209166270217137
Energy: 0.43708307594624723
Energy: 0.4209166270217137
Energy: 0.43059656170042854
Energy: 0.4128753359260193
Energy: 0.43059656170091243
Energy: 0.4128753359260193
Energy: 0.43059656170042854
Energy: 0.4128753359260193
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Energy: 0.42784925674206187
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Energy: 0.42057840402361774
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Energy: 0.43494215456425517
Energy: 0.43452304801981545
Energy: 0.43494215456522284
Energy: 0.43452304801981545
Energy: 0.43494215456522284
Energy: 0.43452304801981545
Energy: 0.4238537745160491
Energy: 0.4261215617453271
Energy: 0.4238537745160491
Energy: 0.4261215617453271
Energy: 0.4238537745160491
Energy: 0.4261215617453271
Energy: 0.4232780046659534
Energy: 0.43078706856648347
Energy: 0.4232780046669211
Energy: 0.43078706856648347
Energy: 0.4232780046664373
Energy: 0.4307870685659996
Energy: 0.41593135032455136
Energy: 0.4364090392225421
Energy: 0.41593135032406753
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Energy: 0.41593135032358364
Energy: 0.4364090392225421
Energy: 0.4502950884187902
Energy: 0.41594565676640155
Energy: 0.4502950884187902
Energy: 0.41594565676640155
Energy: 0.45029508841830634
Energy: 0.41594565676640155
Energy: 0.4536453152346902
Energy: 0.43015679458388195
Energy: 0.4536453152346902
Energy: 0.4301567945833981
Energy: 0.4536453152346902
Energy: 0.43015679458388195
Energy: 0.4345645019595797
Energy: 0.43395981477105244
Energy: 0.4345645019590958
Energy: 0.4339598147705685
Energy: 0.4345645019595797
Energy: 0.43395981477105244
Energy: 0.42560413204545894
Energy: 0.4151062945890465
Energy: 0.42560413204545894
Energy: 0.4151062945890465
Energy: 0.4256041320449751
Energy: 0.4151062945890465
Energy: 0.43013020321273654
Energy: 0.4221785911989041
Energy: 0.43013020321273654
Energy: 0.42217859119842027
Energy: 0.43013020321273654
Energy: 0.42217859119842027
Energy: 0.41864278088668255
Energy: 0.42640122102555833
Energy: 0.41864278088668255
Energy: 0.42640122102555833
Energy: 0.41864278088716633
Energy: 0.42640122102555833
Energy: 0.43448673531741805
Energy: 0.4259158110916423
Energy: 0.43448673531741805
Energy: 0.4259158110916423
Energy: 0.4344867353179019
Energy: 0.4259158110916423
Energy: 0.42918758842462845
Energy: 0.4255248816198907
Energy: 0.42918758842462845
Energy: 0.4255248816198907
Energy: 0.42918758842414456
Energy: 0.4255248816198907

minimum gb energy = 0.4128753359260193 eV
minimum distance =  2.60109168959142 Angstroms
sigma value = 101


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

Energy: 0.4113517122783805
Energy: 0.4311372899385641
Energy: 0.4113517122783805
Energy: 0.4311372899385641
Energy: 0.4113517122783805
Energy: 0.4311372899385641
Energy: 0.43037576918410564
Energy: 0.41386909009437484
Energy: 0.4303757691836803
Energy: 0.41514151715609504
Energy: 0.4303757691836803
Energy: 0.41514151715609504
Energy: 0.42103555104244084
Energy: 0.3973267545146714
Energy: 0.4210355510432915
Energy: 0.3973267545146714
Energy: 0.42103555104201545
Energy: 0.3973267545142461
Energy: 0.39367929064512097
Energy: 0.4325026481835679
Energy: 0.39367929064512097
Energy: 0.41844924077608725
Energy: 0.3936792906446957
Energy: 0.4184492407756619
Energy: 0.40864376555333914
Energy: 0.4102951540396772
Energy: 0.4086437655524885
Energy: 0.4102951540396772
Energy: 0.4086437655529138
Energy: 0.4102951540396772
Energy: 0.4228421062341611
Energy: 0.3972976478905207
Energy: 0.42284210623373575
Energy: 0.3972976478905207
Energy: 0.4228421062341611
Energy: 0.3972976478905207
Energy: 0.4080947554190123
Energy: 0.4185566054341299
Energy: 0.4080947554190123
Energy: 0.4185566054337046
Energy: 0.4080947554190123
Energy: 0.4185566054337046
Energy: 0.39334492028909956
Energy: 0.437580349308476
Energy: 0.39334492028824897
Energy: 0.43568434627856667
Energy: 0.3933449202886742
Energy: 0.4205922016679175
Energy: 0.42078549818639893
Energy: 0.39881537939341316
Energy: 0.4207854981868242
Energy: 0.39881537939341316
Energy: 0.4207854981868242
Energy: 0.39881537939341316
Energy: 0.4085653869079303
Energy: 0.4218475818384721
Energy: 0.40856538690750493
Energy: 0.4218475818384721
Energy: 0.40856538690750493
Energy: 0.4218475818384721
Energy: 0.39267252141173115
Energy: 0.46111320644553055
Energy: 0.39267252141045517
Energy: 0.46111320644553055
Energy: 0.39267252141173115
Energy: 0.46111320644553055
Energy: 0.4348572320137236
Energy: 0.4145365650252754
Energy: 0.4348572320149996
Energy: 0.4145365650252754
Energy: 0.4348572320141489
Energy: 0.4145365650252754
Energy: 0.4159823551025815
Energy: 0.39730104692819884
Energy: 0.4159823551025815
Energy: 0.39730104692819884
Energy: 0.4159823551030068
Energy: 0.39730104692819884
Energy: 0.4131754869868817
Energy: 0.42553900223067576
Energy: 0.4131754869864564
Energy: 0.42553900223067576
Energy: 0.4131754869868817
Energy: 0.42553900223067576
Energy: 0.4295466704323506
Energy: 0.41268292235381576
Energy: 0.4295466704319253
Energy: 0.41268292235381576
Energy: 0.42954667043320127
Energy: 0.41268292235381576
Energy: 0.42579390325798333
Energy: 0.39713851932479577
Energy: 0.42579390325798333
Energy: 0.39713851932479577
Energy: 0.42579390325798333
Energy: 0.39713851932479577
Energy: 0.3917980521320835
Energy: 0.4236973431321125
Energy: 0.3917980521308075
Energy: 0.42369734313168717
Energy: 0.3917980521316582
Energy: 0.42369734313168717
Energy: 0.39255201402208084
Energy: 0.42638213808119063
Energy: 0.39255201402165546
Energy: 0.42638213808161596
Energy: 0.39255201402250617
Energy: 0.42638213808119063
Energy: 0.41482041893652755
Energy: 0.3987244687170203
Energy: 0.4148204189369529
Energy: 0.3987244687170203
Energy: 0.4148204189378035
Energy: 0.3987244687170203
Energy: 0.4094606300595282
Energy: 0.422584571332876
Energy: 0.4094606300595282
Energy: 0.422584571332876
Energy: 0.4094606300595282
Energy: 0.4225845713324507
Energy: 0.39201140537753926
Energy: 0.46080050997040617
Energy: 0.39201140537711393
Energy: 0.46080050997040617
Energy: 0.39201140537796464
Energy: 0.46080050997040617
Energy: 0.42888219005937883
Energy: 0.39549691255459635
Energy: 0.42888219005937883
Energy: 0.39549691255459635
Energy: 0.42888219005937883
Energy: 0.39549691255459635
Energy: 0.4287082660975183
Energy: 0.39779390546558807
Energy: 0.4287082660975183
Energy: 0.39779390546558807
Energy: 0.4287082660975183
Energy: 0.3977939054647374
Energy: 0.3938188756754945
Energy: 0.4261312250023587
Energy: 0.39381887567591983
Energy: 0.4261312250023587
Energy: 0.3938188756754945
Energy: 0.4261312250023587
Energy: 0.4348836057945773
Energy: 0.41153580589541944
Energy: 0.4348836057941519
Energy: 0.41153580589541944
Energy: 0.4348836057941519
Energy: 0.41153580589499406
Energy: 0.4166992206211458
Energy: 0.3969341379349722
Energy: 0.41669922062199644
Energy: 0.3969341379349722
Energy: 0.4166992206211458
Energy: 0.3969341379349722
Energy: 0.41122209177808194
Energy: 0.4194225509903177
Energy: 0.41122209177765656
Energy: 0.4194225509903177
Energy: 0.41122209177765656
Energy: 0.4194225509903177
Energy: 0.41128610459350384
Energy: 0.42277661098824393
Energy: 0.41128610459350384
Energy: 0.42277661098824393
Energy: 0.41128610459350384
Energy: 0.42277661098824393
Energy: 0.4261222189618225
Energy: 0.40191196515385513
Energy: 0.4261222189613972
Energy: 0.4019119651534298
Energy: 0.4261222189618225
Energy: 0.40191196515385513
Energy: 0.39202544792965244
Energy: 0.42239685160974244
Energy: 0.39202544792965244
Energy: 0.42239685160846646
Energy: 0.39202544792965244
Energy: 0.42239685160974244
Energy: 0.39187296061592464
Energy: 0.412729481062975
Energy: 0.39187296061677535
Energy: 0.412729481062975
Energy: 0.39187296061592464
Energy: 0.412729481062975
Energy: 0.42844110746787695
Energy: 0.3956058530052271
Energy: 0.42844110746787695
Energy: 0.3956058530052271
Energy: 0.42844110746830216
Energy: 0.3956058530052271
Energy: 0.43123577683334274
Energy: 0.39719233112990643
Energy: 0.43123577683249215
Energy: 0.39719233112990643
Energy: 0.43123577683249215
Energy: 0.39719233112990643

minimum gb energy = 0.3917980521308075 eV
minimum distance =  2.61606371289473 Angstroms
sigma value = 33


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

Energy: 0.011557911558874012
Energy: 0.2945405257304198
Energy: 0.011557911558874012
Energy: 0.2945405257304198
Energy: 0.011557911558874012
Energy: 0.2945405257304198
Energy: 0.011987094079009775
Energy: 0.11694183331745564
Energy: 0.011987094079009775
Energy: 0.11694183331780905
Energy: 0.011987094079009775
Energy: 0.11694183331712188
Energy: 0.29487404861477134
Energy: 0.1173832264743919
Energy: 0.2948740486133774
Energy: 0.11738322647337097
Energy: 0.8582262043793363
Energy: 0.1173832264730176
Energy: 0.01198709407969693
Energy: 0.11694183331608132
Energy: 0.01198709407969693
Energy: 0.11694183331608132
Energy: 0.01198709408003069
Energy: 0.11694183331608132

minimum gb energy = 0.011557911558874012 eV
minimum distance =  2.84524339228806 Angstroms
sigma value = 1