Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001_CuTa__MO_547744193826_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.614939033985138
cohesive_energy=3.540272685207228
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01369500282139695
Energy: 0.5690535610450974
Energy: 0.01369500282171057
Energy: 0.5690535610450974
Energy: 0.01369500282139695
Energy: 0.5690535610450974
Energy: 0.5690535610450974
Energy: 0.7538577072245215
Energy: 0.5690535610447837
Energy: 0.7538577072251487
Energy: 0.5690535610450974
Energy: 0.7538577072245215
Energy: 0.01369500282139695
Energy: 0.5690535610447837
Energy: 0.01369500282171057
Energy: 0.5690535610447837
Energy: 0.01369500282139695
Energy: 0.5690535610447837
Energy: 0.5690535610447837
Energy: 0.7538577072251487
Energy: 0.5690535610450974
Energy: 0.7538577072248352
Energy: 0.5690535610447837
Energy: 0.7538577072245215
Energy: 0.01369500282139695
Energy: 0.5690535610450974
Energy: 0.01369500282171057
Energy: 0.5690535610447837
Energy: 0.01369500282139695
Energy: 0.5690535610450974
Energy: 0.5690535610450974
Energy: 0.7538577072245215
Energy: 0.5690535610450974
Energy: 0.7538577072245215
Energy: 0.5690535610447837
Energy: 0.7538577072248352

minimum gb energy = 0.01369500282139695 eV
minimum distance =  2.30245487315845 Angstroms
sigma value = 1


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

Energy: 0.8103548489373419
Energy: 0.7694009381209007
Energy: 0.8103548489373419
Energy: 0.7694009381216556
Energy: 0.8103548489365868
Energy: 0.7694009381209007
Energy: 0.8772439691921338
Energy: 0.7227881703220193
Energy: 0.8772439691883593
Energy: 0.7227881703227742
Energy: 0.877243969190624
Energy: 0.7227881703220193
Energy: 0.774950008421856
Energy: 0.7977224499751914
Energy: 0.774950008421856
Energy: 0.7977224499774561
Energy: 0.7749500084233659
Energy: 0.7977224499782111
Energy: 0.7822662750918795
Energy: 0.7567044846759635
Energy: 0.7822662751477093
Energy: 0.7567044846759635
Energy: 0.7822662752179167
Energy: 0.7567044846759635
Energy: 0.7893941170722152
Energy: 0.8387995873824255
Energy: 0.7893941170752348
Energy: 0.8387995873824255
Energy: 0.7893941170722152
Energy: 0.8387995873824255
Energy: 0.8190751739044136
Energy: 0.7443381531757458
Energy: 0.8190751739044136
Energy: 0.7443381531765008
Energy: 0.8190751739044136
Energy: 0.7443381531765008
Energy: 0.7769900655470668
Energy: 0.8009325120231886
Energy: 0.7769900655470668
Energy: 0.8009325120239436
Energy: 0.7769900655455572
Energy: 0.8009325120231886
Energy: 0.7558924424803581
Energy: 0.8570658614414074
Energy: 0.7558924424811131
Energy: 0.8570658614414074
Energy: 0.7558924424811131
Energy: 0.8570658614414074
Energy: 0.8246614276707944
Energy: 0.8103947448551163
Energy: 0.8246614276692846
Energy: 0.8103947448551163
Energy: 0.8246614276707944
Energy: 0.8103947448551163
Energy: 0.7131868647512406
Energy: 0.8498865336811928
Energy: 0.7131868647512406
Energy: 0.8498865336827026
Energy: 0.7131868647519954
Energy: 0.8498865336804379
Energy: 0.829632479294088
Energy: 0.7347979344621751
Energy: 0.8296324792933332
Energy: 0.7347979344621751
Energy: 0.829632479294088
Energy: 0.7347979344621751
Energy: 0.6980695437199357
Energy: 0.7990933713418018
Energy: 0.6980695437206905
Energy: 0.7990924746006498
Energy: 0.6980695437206905
Energy: 0.7990934064057903
Energy: 0.8772546491694696
Energy: 0.6929726267934204
Energy: 0.8772546491717343
Energy: 0.6929726267934204
Energy: 0.8772546491717343
Energy: 0.6929726267934204
Energy: 0.7417809269822613
Energy: 0.753443483598104
Energy: 0.7417809269830162
Energy: 0.753443483598859
Energy: 0.7417809269822613
Energy: 0.753443483598104
Energy: 0.8935169195814846
Energy: 0.7218547652805174
Energy: 0.8935169195807298
Energy: 0.7218547652805174
Energy: 0.8935169195814846
Energy: 0.7218547652797624
Energy: 0.8891177607927113
Energy: 0.8139639625264732
Energy: 0.8891177607927113
Energy: 0.8139639625249633
Energy: 0.8891177607927113
Energy: 0.8139639625279829
Energy: 0.7978719765725374
Energy: 0.7964221329150308
Energy: 0.7978719765687627
Energy: 0.7964221329150308
Energy: 0.7978719765702726
Energy: 0.7964221329150308
Energy: 0.7978316912841804
Energy: 0.7547282364379646
Energy: 0.7978316912909746
Energy: 0.7547282364402293
Energy: 0.7978316912856901
Energy: 0.7547282364356999
Energy: 0.7143976061418412
Energy: 0.7571018662180988
Energy: 0.7143976061433512
Energy: 0.7571018662180988
Energy: 0.7143976061441061
Energy: 0.7571018662196086
Energy: 0.8085836718009551
Energy: 0.7442694023837387
Energy: 0.80858367180171
Energy: 0.7442694023844936
Energy: 0.8085836718009551
Energy: 0.7442694023844936
Energy: 0.7260356254871015
Energy: 0.8732954938619688
Energy: 0.7260356254878566
Energy: 0.8732954938634785
Energy: 0.7260356254886116
Energy: 0.8732954938612137
Energy: 0.8179468004072693
Energy: 0.8025152160304879
Energy: 0.8179468004087791
Energy: 0.8025152160304879
Energy: 0.8179468004057595
Energy: 0.8025152160304879
Energy: 0.6938278432942951
Energy: 0.8641162864373072
Energy: 0.6938278432950502
Energy: 0.8641162864327777
Energy: 0.6938278432958049
Energy: 0.8641162864350425

minimum gb energy = 0.6929726267934204 eV
minimum distance =  2.30085664682209 Angstroms
sigma value = 33


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

Energy: 0.906242227915039
Energy: 0.8264853640862103
Energy: 0.9062422279158978
Energy: 0.8264853640862103
Energy: 0.9062422279158978
Energy: 0.8264853640857809
Energy: 0.852583098874459
Energy: 0.7569224941601407
Energy: 0.8525830988748884
Energy: 0.7569224941601407
Energy: 0.8525830988748884
Energy: 0.7569224941605701
Energy: 0.7316443977071355
Energy: 0.7604036469581585
Energy: 0.7316443977079944
Energy: 0.7604036469551528
Energy: 0.7316443977079944
Energy: 0.7604036469547234
Energy: 0.8207172718448449
Energy: 0.813308008248029
Energy: 0.8207172718469918
Energy: 0.8133080082471702
Energy: 0.8207172718457035
Energy: 0.8133080082433056
Energy: 0.8004530410874141
Energy: 0.787497708395198
Energy: 0.8004530410895611
Energy: 0.7874977083969155
Energy: 0.8004530410882731
Energy: 0.7874977083947685
Energy: 0.7255551311257569
Energy: 0.7299687219083574
Energy: 0.7255551311248981
Energy: 0.7299687219053516
Energy: 0.7255551311240392
Energy: 0.7299687219036339
Energy: 0.8340100236087121
Energy: 0.8578434143036934
Energy: 0.8340100236091414
Energy: 0.8578434143032639
Energy: 0.8340100236082827
Energy: 0.8578434143036934
Energy: 0.6954859788613194
Energy: 0.900018192049082
Energy: 0.6954859788621781
Energy: 0.900018192049082
Energy: 0.6954859788617487
Energy: 0.9000181920486526
Energy: 0.7205346296670918
Energy: 0.7303140334251031
Energy: 0.7205346296666624
Energy: 0.7303140334246737
Energy: 0.7205346296683799
Energy: 0.7303140334251031
Energy: 0.7270180396905037
Energy: 0.8502560175883159
Energy: 0.7270180396900743
Energy: 0.8502560175887452
Energy: 0.7270180396930801
Energy: 0.8502560175896041
Energy: 0.8605286880208213
Energy: 0.7261490547282985
Energy: 0.8605286880216799
Energy: 0.726149054728728
Energy: 0.8605286880212506
Energy: 0.7261490547282985
Energy: 0.7316021561250821
Energy: 0.7586075144766974
Energy: 0.7316021561246525
Energy: 0.7586075144762678
Energy: 0.7316021561250821
Energy: 0.758607514477556
Energy: 0.8143018100676872
Energy: 0.697042886002965
Energy: 0.8143018100801397
Energy: 0.697042886002965
Energy: 0.8143018100706929
Energy: 0.697042886002965
Energy: 0.8235934020579696
Energy: 0.8306128245839097
Energy: 0.8235934020571108
Energy: 0.8306128245839097
Energy: 0.8235934020558227
Energy: 0.8306128245843392
Energy: 0.8032399810580071
Energy: 0.7620233600068722
Energy: 0.8032399810592954
Energy: 0.7620233600068722
Energy: 0.8032399810592954
Energy: 0.7620233600064429
Energy: 0.7292033022048032
Energy: 0.761110566636966
Energy: 0.7292033022052326
Energy: 0.7611105666373953
Energy: 0.7292033022073795
Energy: 0.7611105666373953
Energy: 0.8183639791528424
Energy: 0.8137794316524588
Energy: 0.8183639791524131
Energy: 0.8137794316520294
Energy: 0.8183639791528424
Energy: 0.8137794316520294
Energy: 0.7931118311427429
Energy: 0.7300375159653031
Energy: 0.7931118311436018
Energy: 0.7300375159610093
Energy: 0.7931118311418842
Energy: 0.7300375159631561
Energy: 0.7267304769898092
Energy: 0.7453578145493543
Energy: 0.7267304769902387
Energy: 0.7453578145454897
Energy: 0.7267304769889504
Energy: 0.7453578145472072
Energy: 0.8317440675109087
Energy: 0.8487725218976725
Energy: 0.8317440675087616
Energy: 0.8487725218976725
Energy: 0.8317440675104792
Energy: 0.8487725218981019
Energy: 0.6949288036054359
Energy: 0.8544220782094684
Energy: 0.6949288036058653
Energy: 0.8544220782176267
Energy: 0.6949288036054359
Energy: 0.8544220782141916
Energy: 0.7603452104668738
Energy: 0.7295562515728359
Energy: 0.7603452104587153
Energy: 0.7295562515728359
Energy: 0.7603452104647268
Energy: 0.7295562515719771
Energy: 0.7273202391104646
Energy: 0.8488226450327838
Energy: 0.7273202391100352
Energy: 0.848822645027631
Energy: 0.7273202391100352
Energy: 0.8488226450280605
Energy: 0.870340020938474
Energy: 0.7943869185778303
Energy: 0.8703400209406209
Energy: 0.7943869185778303
Energy: 0.8703400209397619
Energy: 0.7943869185782597
Energy: 0.7317479469950977
Energy: 0.7261207580788976
Energy: 0.7317479469959566
Energy: 0.7261207580737448
Energy: 0.731747946994239
Energy: 0.7261207580806153
Energy: 0.8798616674510062
Energy: 0.8178222743493981
Energy: 0.8798616674522943
Energy: 0.8178222743498275
Energy: 0.8798616674484296
Energy: 0.8178222743515451
Energy: 0.8926172697199048
Energy: 0.8327874638218168
Energy: 0.8926172697203342
Energy: 0.832787463820958
Energy: 0.8926172697211932
Energy: 0.8327874638213874
Energy: 0.7312184893683104
Energy: 0.7617295341071222
Energy: 0.7312184893687399
Energy: 0.7617295341114161
Energy: 0.7312184893687399
Energy: 0.7617295341109868
Energy: 0.8487831385538457
Energy: 0.7571639345808794
Energy: 0.8487831385534164
Energy: 0.75716393458045
Energy: 0.8487831385529867
Energy: 0.75716393458045
Energy: 0.7285602482725261
Energy: 0.8693705980158162
Energy: 0.7285602482729554
Energy: 0.8693705980158162
Energy: 0.7285602482716672
Energy: 0.8693705980158162
Energy: 0.8400159895313426
Energy: 0.7311194300646283
Energy: 0.8400159895343483
Energy: 0.7311194300646283
Energy: 0.8400159895296251
Energy: 0.7311194300650576
Energy: 0.6957398936631634
Energy: 0.8574471389572313
Energy: 0.6957398936640221
Energy: 0.8574471389928712
Energy: 0.6957398936618752
Energy: 0.8574471389276422
Energy: 0.8317118080771114
Energy: 0.8486142136598033
Energy: 0.8317118080728175
Energy: 0.8486142136593738
Energy: 0.8317118080771114
Energy: 0.8486142136598033
Energy: 0.7640995038075791
Energy: 0.8035264983329805
Energy: 0.7640995038050027
Energy: 0.8035264983394215
Energy: 0.7640995038080084
Energy: 0.8035264983304039
Energy: 0.7607317389339586
Energy: 0.7299770303122385
Energy: 0.7607317389326704
Energy: 0.7299770303139561
Energy: 0.7607317389361056
Energy: 0.729977030312668
Energy: 0.8177272373030574
Energy: 0.8199132838355887
Energy: 0.8177272373009105
Energy: 0.8199132838351594
Energy: 0.8177272373013399
Energy: 0.8199132838351594
Energy: 0.7296349378395464
Energy: 0.7924314890846369
Energy: 0.7296349378386875
Energy: 0.7924314890854958
Energy: 0.7296349378408344
Energy: 0.7924314890846369
Energy: 0.7292059730349993
Energy: 0.7270721966996957
Energy: 0.729205973038005
Energy: 0.7270721966996957
Energy: 0.7292059730375756
Energy: 0.7270721966996957
Energy: 0.8235478025395131
Energy: 0.8302537896998691
Energy: 0.8235478025373661
Energy: 0.8302537896994397
Energy: 0.8235478025395131
Energy: 0.8302537896998691
Energy: 0.9070532109778405
Energy: 0.6971182356500872
Energy: 0.9070532109791288
Energy: 0.6971182356500872
Energy: 0.9070532109791288
Energy: 0.6971182356496578
Energy: 0.7316612181428593
Energy: 0.7177209501112665
Energy: 0.7316612181445771
Energy: 0.717720950110837
Energy: 0.7316612181428593
Energy: 0.7177209501116959

minimum gb energy = 0.6949288036054359 eV
minimum distance =  2.41191101546085 Angstroms
sigma value = 51


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

Energy: 0.7810962420707737
Energy: 0.8037090105157925
Energy: 0.7810962420707737
Energy: 0.8037090105157925
Energy: 0.7810962420707737
Energy: 0.8037090105157925
Energy: 0.8494509860223836
Energy: 0.7590965380818803
Energy: 0.8494509860233784
Energy: 0.7590965380818803
Energy: 0.8494509860233784
Energy: 0.7590965380828751
Energy: 0.7628762677706854
Energy: 0.7925334015792476
Energy: 0.7628762677716803
Energy: 0.7925334015802424
Energy: 0.7628762677686955
Energy: 0.7925334015802424
Energy: 0.7811377224042277
Energy: 0.7039510741298096
Energy: 0.7811377224052227
Energy: 0.7039510741308047
Energy: 0.7811377224042277
Energy: 0.7039510741298096
Energy: 0.8011588227582602
Energy: 0.7642502865620475
Energy: 0.8011588227582602
Energy: 0.7642502865640373
Energy: 0.8011588227582602
Energy: 0.7642502865630425
Energy: 0.8011350057822278
Energy: 0.7639367582313064
Energy: 0.8011350057832227
Energy: 0.7639367582313064
Energy: 0.8011350057832227
Energy: 0.7639367582303116
Energy: 0.7563921278470568
Energy: 0.7638565293192604
Energy: 0.7563921278460618
Energy: 0.7638565293202554
Energy: 0.7563921278470568
Energy: 0.7638565293192604
Energy: 0.7320900037415466
Energy: 0.7644287704592378
Energy: 0.7320900037405518
Energy: 0.7644287704592378
Energy: 0.7320900037405518
Energy: 0.7644287704592378
Energy: 0.8813242553406582
Energy: 0.7007165725638899
Energy: 0.8813242551258497
Energy: 0.7007165725638899
Energy: 0.8813242554718946
Energy: 0.7007165725638899
Energy: 0.7116477859149328
Energy: 0.6330501254057612
Energy: 0.7116477859149328
Energy: 0.6318397136653747
Energy: 0.7116477859149328
Energy: 0.6333707150149787
Energy: 0.8295490508200305
Energy: 0.703678936001207
Energy: 0.8295490508190356
Energy: 0.703678936001207
Energy: 0.8295490508210254
Energy: 0.703678936001207
Energy: 0.7827611679252893
Energy: 0.8050187624514008
Energy: 0.7827611679242944
Energy: 0.8050187624504058
Energy: 0.7827611679242944
Energy: 0.8050187624514008
Energy: 0.8465560813889877
Energy: 0.7592175989611565
Energy: 0.8465560542988849
Energy: 0.7592175989601616
Energy: 0.8465561386987497
Energy: 0.7592175989611565
Energy: 0.7630481836965338
Energy: 0.7357004452820405
Energy: 0.7630481836965338
Energy: 0.7357004452810455
Energy: 0.7630481836975286
Energy: 0.7357004452830354
Energy: 0.7816331083276691
Energy: 0.7843409190305058
Energy: 0.7816331083266743
Energy: 0.7843409190295111
Energy: 0.7816331083276691
Energy: 0.7843409190305058
Energy: 0.7998866558941219
Energy: 0.7639142800090016
Energy: 0.7998866558951169
Energy: 0.7639142800099965
Energy: 0.7998866558941219
Energy: 0.7639142800090016
Energy: 0.8007193932203742
Energy: 0.8300573732043641
Energy: 0.8007193932213691
Energy: 0.8300573732063538
Energy: 0.8007193932213691
Energy: 0.8300573732043641
Energy: 0.7869721466407535
Energy: 0.767921787791967
Energy: 0.7869721466397588
Energy: 0.7679217877910173
Energy: 0.7869721466397588
Energy: 0.7679217877910173

minimum gb energy = 0.6318397136653747 eV
minimum distance =  2.28914492061684 Angstroms
sigma value = 19


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

Energy: 0.6336346384176379
Energy: 0.6737496791392773
Energy: 0.633634638418228
Energy: 0.6737496791398674
Energy: 0.6336346384188182
Energy: 0.6737496791398674
Energy: 0.7297269313796668
Energy: 0.7788477233588921
Energy: 0.7297269313802569
Energy: 0.7788477233594822
Energy: 0.7297269313826176
Energy: 0.7788477233594822
Energy: 0.6291782062972407
Energy: 0.7787183920457751
Energy: 0.6291782062978309
Energy: 0.7787183920440047
Energy: 0.6291782062978309
Energy: 0.7787183920440047
Energy: 0.6700005928428796
Energy: 0.6291426328502884
Energy: 0.670000592841136
Energy: 0.6291426328508785
Energy: 0.6700005928405459
Energy: 0.6291426328502884
Energy: 0.6361117534905303
Energy: 0.6324736406577204
Energy: 0.636111753493481
Energy: 0.6324736406577204
Energy: 0.6361117534917107
Energy: 0.6324736406583105
Energy: 0.6361599135155684
Energy: 0.6322502589467468
Energy: 0.6361599135161585
Energy: 0.6322502589449762
Energy: 0.6361599135167487
Energy: 0.6322502589443861
Energy: 0.6699561378812932
Energy: 0.6291204608534832
Energy: 0.6699561378818832
Energy: 0.6291204608528931
Energy: 0.6699561378777522
Energy: 0.6291204608528931
Energy: 0.6291733745188904
Energy: 0.7786946981788689
Energy: 0.6291733745194805
Energy: 0.7786946981794591
Energy: 0.6291733745188904
Energy: 0.7786946981782789
Energy: 0.7297115735941905
Energy: 0.7788526957976963
Energy: 0.7297115735924201
Energy: 0.7788526957982864
Energy: 0.7297115735965511
Energy: 0.7788526957982864
Energy: 0.6336346384176379
Energy: 0.6737496791398674
Energy: 0.6336346384188182
Energy: 0.6737496791392773
Energy: 0.6336346384188182
Energy: 0.6737496791398674
Energy: 0.7297269313826176
Energy: 0.7788477233594822
Energy: 0.7297269313790765
Energy: 0.7788477233594822
Energy: 0.7297269313826176
Energy: 0.7788477233594822
Energy: 0.6291782062978309
Energy: 0.7787183920440047
Energy: 0.6291782062978309
Energy: 0.7787183920440047
Energy: 0.6291782062966507
Energy: 0.7787183920445948
Energy: 0.6700005928393656
Energy: 0.6291426328502884
Energy: 0.6700005928434699
Energy: 0.6291426328508785
Energy: 0.6700005928428796
Energy: 0.6291426328502884
Energy: 0.6361117534923008
Energy: 0.6324736406583105
Energy: 0.636111753493481
Energy: 0.6324736406594909
Energy: 0.6361117534893501
Energy: 0.6324736406583105
Energy: 0.6361599135167487
Energy: 0.6322502589426157
Energy: 0.6361599135132078
Energy: 0.6322502589443861
Energy: 0.6361599135126177
Energy: 0.6322502589449762
Energy: 0.6699561378801128
Energy: 0.6291204608534832
Energy: 0.6699561378812932
Energy: 0.6291204608534832
Energy: 0.6699561378824734
Energy: 0.6291204608534832
Energy: 0.6291733745188904
Energy: 0.7786946981800492
Energy: 0.6291733745183002
Energy: 0.7786946981806395
Energy: 0.6291733745188904
Energy: 0.7786946981800492
Energy: 0.7297115735924201
Energy: 0.7788526957976963
Energy: 0.7297115735930102
Energy: 0.7788526957971061
Energy: 0.7297115735900864
Energy: 0.7788526957976963
Energy: 0.633634638418228
Energy: 0.6737496791398674
Energy: 0.6336346384188182
Energy: 0.6737496791398674
Energy: 0.633634638418228
Energy: 0.6737496791398674
Energy: 0.7297269313814372
Energy: 0.7788477233594822
Energy: 0.7297269313767161
Energy: 0.7788477233600724
Energy: 0.7297269313802569
Energy: 0.7788477233594822
Energy: 0.6291782062972407
Energy: 0.7787183920445948
Energy: 0.6291782062972407
Energy: 0.7787183920434145
Energy: 0.6291782062972407
Energy: 0.7787183920434145
Energy: 0.6700005928428796
Energy: 0.6291426328502884
Energy: 0.670000592841136
Energy: 0.6291426328508785
Energy: 0.6700005928428796
Energy: 0.6291426328502884
Energy: 0.6361117534940712
Energy: 0.6324736406571302
Energy: 0.6361117534887599
Energy: 0.6324736406577204
Energy: 0.6361117534923008
Energy: 0.6324736406583105
Energy: 0.6361599135173389
Energy: 0.6322502589437959
Energy: 0.6361599135126177
Energy: 0.6322502589461565
Energy: 0.6361599135132078
Energy: 0.6322502589437959
Energy: 0.6699561378812932
Energy: 0.6291204608528931
Energy: 0.6699561378795227
Energy: 0.6291204608534832
Energy: 0.6699561378801128
Energy: 0.6291204608534832
Energy: 0.6291733745194805
Energy: 0.7786946981794591
Energy: 0.6291733745206608
Energy: 0.7786946981806395
Energy: 0.6291733745183002
Energy: 0.7786946981788689
Energy: 0.7297115735924201
Energy: 0.7788526957976963
Energy: 0.7297115735936004
Energy: 0.7788526957971061
Energy: 0.7297115735924201
Energy: 0.7788526957976963
Energy: 0.633634638418228
Energy: 0.6737496791392773
Energy: 0.633634638418228
Energy: 0.6737496791398674
Energy: 0.6336346384176379
Energy: 0.6737496791392773
Energy: 0.7297269313837977
Energy: 0.7788477233588921
Energy: 0.7297269313808471
Energy: 0.7788477233594822
Energy: 0.7297269313796668
Energy: 0.7788477233594822
Energy: 0.6291782062966507
Energy: 0.7787183920445948
Energy: 0.6291782062978309
Energy: 0.7787183920451849
Energy: 0.6291782062972407
Energy: 0.7787183920445948

minimum gb energy = 0.6291204608528931 eV
minimum distance =  2.32256082661452 Angstroms
sigma value = 27


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

Energy: 0.6223296130438568
Energy: 0.6167777416832886
Energy: 0.6223296130424112
Energy: 0.6167777416832886
Energy: 0.6223296130424112
Energy: 0.6167777416832886
Energy: 0.726764440314494
Energy: 0.6355774337264493
Energy: 0.7267644403173853
Energy: 0.6355774337250037
Energy: 0.7267644403159397
Energy: 0.6355774337264493
Energy: 0.6458357108879723
Energy: 0.6862585821650458
Energy: 0.6458357108865268
Energy: 0.6862585821621547
Energy: 0.6458357108865268
Energy: 0.6862585821664915
Energy: 0.7018539189448235
Energy: 0.6022205296572566
Energy: 0.701853918946269
Energy: 0.6022205296558112
Energy: 0.701853918946269
Energy: 0.6022205296572566
Energy: 0.7588191363047518
Energy: 0.5973103669978724
Energy: 0.7588191363047518
Energy: 0.5973103669978724
Energy: 0.7588191363047518
Energy: 0.5973103669978724
Energy: 0.725020607336163
Energy: 0.7402145607441901
Energy: 0.7250206073347174
Energy: 0.7402145607456357
Energy: 0.725020607336163
Energy: 0.7402145607427447
Energy: 0.6856105950536787
Energy: 0.6369123248757016
Energy: 0.6856105950551243
Energy: 0.6369123248757016
Energy: 0.6856105950551243
Energy: 0.6369123248757016
Energy: 0.6185498098189215
Energy: 0.6201348033706267
Energy: 0.6185498098203669
Energy: 0.6201348033706267
Energy: 0.6185498098218125
Energy: 0.6201348033706267
Energy: 0.6833678097040827
Energy: 0.6443364546704322
Energy: 0.6833678097069739
Energy: 0.6443364546632044
Energy: 0.6833678097026371
Energy: 0.6443364545693089
Energy: 0.6893990778782221
Energy: 0.7197730414515919
Energy: 0.6893990778782221
Energy: 0.7197730414530376
Energy: 0.6893990778782221
Energy: 0.7197730414515919
Energy: 0.754143862075903
Energy: 0.5973436447653419
Energy: 0.754143862075903
Energy: 0.5973436447653419
Energy: 0.7541438620802398
Energy: 0.5973436447653419
Energy: 0.7579246956749279
Energy: 0.6832272007122089
Energy: 0.7579246956749279
Energy: 0.6832272007136544
Energy: 0.7579246956749279
Energy: 0.6832272007151

minimum gb energy = 0.5973103669978724 eV
minimum distance =  2.2822079921191 Angstroms
sigma value = 9


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

Energy: 0.6200524271069339
Energy: 0.5783542634015508
Energy: 0.6200524271077461
Energy: 0.578354263401957
Energy: 0.6200524271061584
Energy: 0.578354263401957
Energy: 0.5808409632925481
Energy: 0.6241875038767888
Energy: 0.5808409632945788
Energy: 0.6241875038759764
Energy: 0.5808409632905172
Energy: 0.6241875038755703
Energy: 0.5556078466999659
Energy: 0.5987108771022757
Energy: 0.5556078467040274
Energy: 0.5987108771047127
Energy: 0.5556078467011843
Energy: 0.598710877103088
Energy: 0.5648786773133618
Energy: 0.5442329589481277
Energy: 0.5648786773157989
Energy: 0.5442329589473154
Energy: 0.5648786773141742
Energy: 0.5442329589477216
Energy: 0.6103704833207989
Energy: 0.5778320460989516
Energy: 0.6103704833199866
Energy: 0.57783204610017
Energy: 0.6103704833199866
Energy: 0.5778320460997638
Energy: 0.6044994959192426
Energy: 0.6036279434210831
Energy: 0.6044994959200549
Energy: 0.6036279434170213
Energy: 0.6044994959192426
Energy: 0.6327218166744135
Energy: 0.5725960521872879
Energy: 0.6371351520232962
Energy: 0.5725960521868817
Energy: 0.6371351520237023
Energy: 0.5725960521860693
Energy: 0.6371351520232962
Energy: 0.5301048918911851
Energy: 0.5944314569046862
Energy: 0.5301048918928098
Energy: 0.5944314569050925
Energy: 0.530104891890373
Energy: 0.5944314569050925
Energy: 0.6112934368956675
Energy: 0.5781054499550535
Energy: 0.6112934368944859
Energy: 0.5781054499546473
Energy: 0.6112934368964799
Energy: 0.5781054499550535
Energy: 0.6065608776092096
Energy: 0.5784022376676159
Energy: 0.6065608776120528
Energy: 0.578201395859393
Energy: 0.6065608776092096
Energy: 0.5784013972460542
Energy: 0.5647298724481458
Energy: 0.5400395043899926
Energy: 0.5647298724473334
Energy: 0.5400395043899926
Energy: 0.5647298724497704
Energy: 0.5400395043899926
Energy: 0.5812055004084632
Energy: 0.6009596283776094
Energy: 0.5812055004100878
Energy: 0.600959628378828
Energy: 0.5812055004068384
Energy: 0.6009596283767971
Energy: 0.5836223108231287
Energy: 0.5987106067051389
Energy: 0.5836223108255657
Energy: 0.5987106067051389
Energy: 0.5836223108263779
Energy: 0.5987106067067633
Energy: 0.6176028468615821
Energy: 0.5541633015981634
Energy: 0.6176028468571142
Energy: 0.5541633015985696
Energy: 0.6176028468644252
Energy: 0.5541633015977573
Energy: 0.55011140605307
Energy: 0.6101752125376638
Energy: 0.5501114060526638
Energy: 0.6101752125376638
Energy: 0.5501114060534761
Energy: 0.6101752125376638
Energy: 0.5569653432666094
Energy: 0.5946529838604496
Energy: 0.5569653432710773
Energy: 0.5946529838576065
Energy: 0.5569653432690465
Energy: 0.5946529838535447
Energy: 0.6778404388813815
Energy: 0.5365431979168239
Energy: 0.6778404388813815
Energy: 0.5365431978814873
Energy: 0.6778404388777259
Energy: 0.5365431979078881
Energy: 0.5592763719047661
Energy: 0.5818884517304551
Energy: 0.5592763719059847
Energy: 0.5818884517304551
Energy: 0.5592763719067969
Energy: 0.5818884517312675
Energy: 0.5342520211631201
Energy: 0.609052238881294
Energy: 0.5342520211635263
Energy: 0.6090522388792632
Energy: 0.534252021165151
Energy: 0.6090522388825125
Energy: 0.644392589797034
Energy: 0.5670395685520729
Energy: 0.6443925897978463
Energy: 0.5670395685532914
Energy: 0.6443925897937847
Energy: 0.5670395685541039
Energy: 0.5342487785143462
Energy: 0.6092723973425612
Energy: 0.5342487785147524
Energy: 0.6092723973519031
Energy: 0.5342487785135338
Energy: 0.6092723973425612
Energy: 0.5606412481120142
Energy: 0.5817537432171963
Energy: 0.5606412481103896
Energy: 0.5817537432167901
Energy: 0.5606412481128266
Energy: 0.5817537432167901
Energy: 0.6780040099016684
Energy: 0.5365043445748165
Energy: 0.6780040099061363
Energy: 0.5365043445764411
Energy: 0.6780040099020747
Energy: 0.536504344578066
Energy: 0.556994380504676
Energy: 0.6138211425237282
Energy: 0.5569943805147932
Energy: 0.6138211425257591
Energy: 0.5569943805091438
Energy: 0.6138211425196666
Energy: 0.5500860438990447
Energy: 0.6107114371080974
Energy: 0.5500860438990447
Energy: 0.6107114371089097
Energy: 0.5500860438994509
Energy: 0.6107114371089097
Energy: 0.6178060599157689
Energy: 0.6046358179097021
Energy: 0.6178060599161751
Energy: 0.6046358179088899
Energy: 0.6178060599206429
Energy: 0.6046358179084836
Energy: 0.5837234100445401
Energy: 0.5985499273295909
Energy: 0.5837234100502264
Energy: 0.5985499273352772
Energy: 0.5837234100400723
Energy: 0.5985499273312156
Energy: 0.5811366391853944
Energy: 0.5894070238924768
Energy: 0.5811366391858006
Energy: 0.589407023897757
Energy: 0.5811366391849883
Energy: 0.5894070238965384
Energy: 0.5647362646630764
Energy: 0.5400551225404687
Energy: 0.5647362646655134
Energy: 0.540055122540875
Energy: 0.5647362646638887
Energy: 0.5400551225404687
Energy: 0.6066132815748557
Energy: 0.560517809631608
Energy: 0.606613281573231
Energy: 0.5605178096332328
Energy: 0.6066132815748557
Energy: 0.5605178096259217
Energy: 0.6112441105423392
Energy: 0.5781657400132596
Energy: 0.6112441105427453
Energy: 0.5781657400128535
Energy: 0.6112441105431514
Energy: 0.5781657400128535
Energy: 0.5301171426989092
Energy: 0.5944151251666107
Energy: 0.5301171426976907
Energy: 0.5944151251670168
Energy: 0.5301171426985031
Energy: 0.5944151251670168
Energy: 0.5728560131678452
Energy: 0.6368851008687514
Energy: 0.5728560131666267
Energy: 0.636885100867939
Energy: 0.5728560131682513
Energy: 0.6368851008683452
Energy: 0.6045898319234242
Energy: 0.5975077018006644
Energy: 0.604589831920581
Energy: 0.5975077017970087
Energy: 0.6045898319173317
Energy: 0.5975077018010705
Energy: 0.6103679254987073
Energy: 0.5778335979506637
Energy: 0.6103679255023627
Energy: 0.5778335979502575
Energy: 0.6103679254991135
Energy: 0.5778335979502575
Energy: 0.5648579340685222
Energy: 0.5391722771610038
Energy: 0.5648579340705532
Energy: 0.5391722771605977
Energy: 0.5648579340673038
Energy: 0.53917227716141
Energy: 0.5553499463822426
Energy: 0.5987219153873062
Energy: 0.5553499463789933
Energy: 0.5987219153877124
Energy: 0.555349946383461
Energy: 0.5987219153873062
Energy: 0.5807834881630429
Energy: 0.5478062959982617
Energy: 0.5807834881573567
Energy: 0.5478062959982617
Energy: 0.5807834881646676
Energy: 0.5478062959982617
Energy: 0.6200524271089646
Energy: 0.5783542634023632
Energy: 0.6200524271097769
Energy: 0.5783542634027694
Energy: 0.6200524271077461
Energy: 0.5783542634031755
Energy: 0.5808409632945788
Energy: 0.5738929232116327
Energy: 0.5808409632897048
Energy: 0.5738929232116327
Energy: 0.5808409632921419
Energy: 0.5738929232112265
Energy: 0.5556078467011843
Energy: 0.5987108771039005
Energy: 0.5556078467007781
Energy: 0.5987108771022757
Energy: 0.5556078467007781
Energy: 0.5987108771039005
Energy: 0.5648786773129557
Energy: 0.544232958944066
Energy: 0.5648786773121434
Energy: 0.5442329589436599
Energy: 0.5648786773125496
Energy: 0.544232958944066
Energy: 0.6103704833183619
Energy: 0.577832046097733
Energy: 0.6103704833175495
Energy: 0.5778320460981392
Energy: 0.6103704833175495
Energy: 0.5778320460985453

minimum gb energy = 0.530104891890373 eV
minimum distance =  2.38216660221391 Angstroms
sigma value = 57


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

Energy: 0.25998592890468164
Energy: 0.267726128063279
Energy: 0.25998592890468164
Energy: 0.267726128063279
Energy: 0.25998592890468164
Energy: 0.267726128063279
Energy: 0.30999409685661306
Energy: 0.26031626179373013
Energy: 0.30999409685568846
Energy: 0.26031626179373013
Energy: 0.30999409685568846
Energy: 0.2603162617946548
Energy: 0.2835249510063689
Energy: 0.31980484353959837
Energy: 0.2835249510063689
Energy: 0.3198048435386738
Energy: 0.2835249510063689
Energy: 0.3198048435386738
Energy: 0.26987641332269485
Energy: 0.25945138402308127
Energy: 0.26987641332269485
Energy: 0.25945138402308127
Energy: 0.2698764133236194
Energy: 0.25945138402308127
Energy: 0.31000464908074243
Energy: 0.31412276381127896
Energy: 0.3100046490798178
Energy: 0.31412276381127896
Energy: 0.3100046490798178
Energy: 0.31412276381127896
Energy: 0.25968775278917644
Energy: 0.28428249491551627
Energy: 0.259687752790101
Energy: 0.28428249491644086
Energy: 0.259687752790101
Energy: 0.28428249491551627
Energy: 0.25969922405660806
Energy: 0.2843532779931898
Energy: 0.25969922405660806
Energy: 0.2843532779931898
Energy: 0.2596992240575326
Energy: 0.2843532779931898
Energy: 0.310011535853925
Energy: 0.3140903893026978
Energy: 0.310011535853925
Energy: 0.3140903893026978
Energy: 0.31001153585300045
Energy: 0.3140903893026978
Energy: 0.2698793892060256
Energy: 0.25945764632189255
Energy: 0.2698793892060256
Energy: 0.25945764632281715
Energy: 0.2698793892060256
Energy: 0.25945764632189255
Energy: 0.2836952424034601
Energy: 0.3197399747904161
Energy: 0.2836952424025355
Energy: 0.3197399747904161
Energy: 0.2836952424025355
Energy: 0.3197399747904161
Energy: 0.31003316117779295
Energy: 0.26055947477579994
Energy: 0.31003316117871754
Energy: 0.26055947477579994
Energy: 0.31003316117871754
Energy: 0.26055947477579994
Energy: 0.25998592890468164
Energy: 0.267726128063279
Energy: 0.25998592890375705
Energy: 0.267726128063279
Energy: 0.25998592890468164
Energy: 0.267726128063279
Energy: 0.30999409685568846
Energy: 0.26031626179280554
Energy: 0.30999409685661306
Energy: 0.26031626179373013
Energy: 0.30999409685661306
Energy: 0.26031626179280554
Energy: 0.2835249510054443
Energy: 0.31980484353959837
Energy: 0.2835249510063689
Energy: 0.3198048435386738
Energy: 0.2835249510063689
Energy: 0.3198048435386738
Energy: 0.26987641332269485
Energy: 0.2594513840221567
Energy: 0.26987641332269485
Energy: 0.25945138402308127
Energy: 0.2698764133217702
Energy: 0.25945138402308127
Energy: 0.31000464908074243
Energy: 0.31412276381127896
Energy: 0.3100046490798178
Energy: 0.31412276381127896
Energy: 0.31000464908074243
Energy: 0.31412276381127896
Energy: 0.25968775278917644
Energy: 0.28428249491551627
Energy: 0.259687752790101
Energy: 0.28428249491551627
Energy: 0.259687752790101
Energy: 0.28428249491459173
Energy: 0.25969922405660806
Energy: 0.2843532779931898
Energy: 0.25969922405660806
Energy: 0.2843532779931898
Energy: 0.2596992240575326
Energy: 0.2843532779931898
Energy: 0.31001153585300045
Energy: 0.3140903893026978
Energy: 0.310011535853925
Energy: 0.3140903893026978
Energy: 0.31001153585300045
Energy: 0.3140903893026978

minimum gb energy = 0.2594513840221567 eV
minimum distance =  2.46351324511372 Angstroms
sigma value = 11


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

Energy: 0.4942054565491326
Energy: 0.6146044949831604
Energy: 0.4942054565498099
Energy: 0.6146044949831604
Energy: 0.494205456547778
Energy: 0.6146044949831604
Energy: 0.4887840379251903
Energy: 0.5292517169400146
Energy: 0.4887840379258676
Energy: 0.5292517169406918
Energy: 0.4887840379238358
Energy: 0.5292517169400146
Energy: 0.6173733456801878
Energy: 0.6846390767348517
Energy: 0.6173733456808651
Energy: 0.6846390767348517
Energy: 0.6173733456795105
Energy: 0.6846390767348517
Energy: 0.6296823152153591
Energy: 0.4523595830514039
Energy: 0.6296823152146819
Energy: 0.4523595830507266
Energy: 0.6296823152140045
Energy: 0.4523595830507266
Energy: 0.6030161974794951
Energy: 0.4340242388890143
Energy: 0.6030161974794951
Energy: 0.43402423888969155
Energy: 0.6030161974801723
Energy: 0.43402423888969155
Energy: 0.5521152580944012
Energy: 0.45573860069831773
Energy: 0.5521152580930468
Energy: 0.45573860069764044
Energy: 0.5521152580950786
Energy: 0.4557386007023813
Energy: 0.43085650381728013
Energy: 0.47790479162193605
Energy: 0.4308565038152483
Energy: 0.4779047916205814
Energy: 0.4308565038179574
Energy: 0.47790479162125865
Energy: 0.5425916050084265
Energy: 0.4167509582326767
Energy: 0.5425916050057175
Energy: 0.4167509582326767
Energy: 0.5425916050091038
Energy: 0.4167509582319995
Energy: 0.5433828542104652
Energy: 0.41958082464277896
Energy: 0.5433828542104652
Energy: 0.41958082464345625
Energy: 0.543382854212497
Energy: 0.41958082464277896
Energy: 0.42110496398524677
Energy: 0.6479948138425993
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Energy: 0.62742704751727
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Energy: 0.6179869379561549
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Energy: 0.6179869379561549
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Energy: 0.5056291310786162
Energy: 0.5295967508233475
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Energy: 0.5295967508233475
Energy: 0.5056291310765844
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Energy: 0.4732388489485619
Energy: 0.6155157447540219
Energy: 0.4732388489492392
Energy: 0.6155157447533447
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Energy: 0.6155157447540219
Energy: 0.45756144540684984
Energy: 0.5288735470007101
Energy: 0.4575614454061726
Energy: 0.5288735470007101
Energy: 0.45756144540888166
Energy: 0.5288735470000329
Energy: 0.6886498595096482
Energy: 0.5037816719846053
Energy: 0.6886498595076163
Energy: 0.5037816719785099
Energy: 0.6886498595082937
Energy: 0.5037816719758008
Energy: 0.564699332504639
Energy: 0.44971271100445787
Energy: 0.5646993325053162
Energy: 0.44971271100513516
Energy: 0.5646993325039616
Energy: 0.44971271100445787
Energy: 0.6041616585862547
Energy: 0.4552863838585634
Energy: 0.6041616585849001
Energy: 0.45528638385653164
Energy: 0.6041616585849001
Energy: 0.4552863838592407
Energy: 0.42150012703848766
Energy: 0.4657807085064312
Energy: 0.42150012703645584
Energy: 0.46578070851320397
Energy: 0.4215001270405195
Energy: 0.46578070850778575
Energy: 0.45835156552729023
Energy: 0.47701228137289664
Energy: 0.4583515655252584
Energy: 0.4770122813742512
Energy: 0.45835156552661294
Energy: 0.4770122813715421
Energy: 0.5430423417063693
Energy: 0.5368852931082477
Energy: 0.5430423417056921
Energy: 0.5368852931082477
Energy: 0.5430423417056921
Energy: 0.5368852931089251
Energy: 0.5452919680822232
Energy: 0.5174761119115585
Energy: 0.5452919680829005
Energy: 0.5174761119122357
Energy: 0.5452919680829005
Energy: 0.5174761119115585
Energy: 0.4215663413679435
Energy: 0.4803387937558224
Energy: 0.4215663413686207
Energy: 0.4803387937531134
Energy: 0.4215663413686207
Energy: 0.4803387937524361
Energy: 0.852093041171614
Energy: 0.5994931614253277
Energy: 0.8520930411722915
Energy: 0.5994931614253277
Energy: 0.8520930411709368
Energy: 0.5994931614246505

minimum gb energy = 0.4167509582319995 eV
minimum distance =  2.36982386080993 Angstroms
sigma value = 41


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

Energy: 0.5495519402519926
Energy: 0.46951828748037133
Energy: 0.5495519402519926
Energy: 0.4695182874798374
Energy: 0.5495519402519926
Energy: 0.46951828748037133
Energy: 0.5281603087729259
Energy: 0.6334516851332128
Energy: 0.5281603087723922
Energy: 0.6334516851337465
Energy: 0.5281603087745274
Energy: 0.6334516851337465
Energy: 0.5841558959153932
Energy: 0.5739610025304833
Energy: 0.5841558959148594
Energy: 0.5739610025299494
Energy: 0.5841558959153932
Energy: 0.5739610025299494
Energy: 0.5059917448521605
Energy: 0.462526054384968
Energy: 0.5059917448532282
Energy: 0.4625260543844343
Energy: 0.5059917448521605
Energy: 0.4625260543844343
Energy: 0.46273376568095675
Energy: 0.4866632646086112
Energy: 0.4627337656814906
Energy: 0.48666326460914494
Energy: 0.46273376568042296
Energy: 0.4866632646086112
Energy: 0.6482803044326371
Energy: 0.5085390701057945
Energy: 0.6482803044342385
Energy: 0.5085390701063283
Energy: 0.648280304433171
Energy: 0.5085390701057945
Energy: 0.4720795819421471
Energy: 0.6939883339832611
Energy: 0.4720795819421471
Energy: 0.6939883339837948
Energy: 0.4720795819421471
Energy: 0.6939883339827514
Energy: 0.46620510349290323
Energy: 0.46265268750671934
Energy: 0.4662051034934371
Energy: 0.46265268750671934
Energy: 0.4662051034945047
Energy: 0.46265268750671934
Energy: 0.4698855550379515
Energy: 0.48342092202704035
Energy: 0.4698855550358163
Energy: 0.48342092202704035
Energy: 0.46988555503528245
Energy: 0.48342092202650655
Energy: 0.5057772442726826
Energy: 0.5341523168703068
Energy: 0.5057772442721488
Energy: 0.5341523168729758
Energy: 0.5057772442732164
Energy: 0.5341523168719082
Energy: 0.502173059968386
Energy: 0.5357009973821408
Energy: 0.5021730599673183
Energy: 0.5357009973826746
Energy: 0.5021730599678522
Energy: 0.5357009973826746
Energy: 0.4620799010072293
Energy: 0.6109228513463019
Energy: 0.4620799010072293
Energy: 0.6109228513457681
Energy: 0.4620799010072293
Energy: 0.6109228513463019
Energy: 0.47366041990890956
Energy: 0.468918752490551
Energy: 0.4736604199083757
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Energy: 0.4736604199078419
Energy: 0.468918752490551
Energy: 0.4458325755733806
Energy: 0.5167798207277958
Energy: 0.4458325755728467
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Energy: 0.44583257557231293
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Energy: 0.5067687298927724
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Energy: 0.506768729892263
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Energy: 0.5067687298906615
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Energy: 0.45384248449474723
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Energy: 0.45384248449421344
Energy: 0.5283742275614842
Energy: 0.45384248449474723
Energy: 0.5283742275614842
Energy: 0.4808065946875555
Energy: 0.4688176397848152
Energy: 0.4808065946880893
Energy: 0.4688176397848152
Energy: 0.4808065946880893
Energy: 0.4688176397848152
Energy: 0.5141514684694206
Energy: 0.5744012673644322
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Energy: 0.5744012673638984
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Energy: 0.5744012673644322
Energy: 0.5180944606414939
Energy: 0.49798574693616293
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Energy: 0.497985746938832
Energy: 0.5180944606414939
Energy: 0.49798574693723047
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Energy: 0.6066532952599748
Energy: 0.5015111297649583
Energy: 0.6066532952599748
Energy: 0.5015111297660259
Energy: 0.6066532952599748
Energy: 0.48023192537599807
Energy: 0.6339066662853883
Energy: 0.48023192537599807
Energy: 0.6339066662853883
Energy: 0.4802319253749304
Energy: 0.633906666285922
Energy: 0.5035090456367516
Energy: 0.6157994095399225
Energy: 0.5035090456378191
Energy: 0.6157994095367438
Energy: 0.5035090456362177
Energy: 0.6157994095399225
Energy: 0.5085631353964435
Energy: 0.460032818067763
Energy: 0.5085631353969773
Energy: 0.460032818067763
Energy: 0.5085631353969773
Energy: 0.460032818067763
Energy: 0.4543145365999571
Energy: 0.7117617905249385
Energy: 0.45431453660102467
Energy: 0.7661732598088352
Energy: 0.4543145366004908
Energy: 0.766203867284803
Energy: 0.4489035689152557
Energy: 0.6483317530404926
Energy: 0.4489035689152557
Energy: 0.6483317530410264
Energy: 0.4489035689163233
Energy: 0.6483317530410264
Energy: 0.47054199805536495
Energy: 0.5865626003900184
Energy: 0.4705419980542973
Energy: 0.5294386196965952
Energy: 0.47054199805483116
Energy: 0.5294386196965952
Energy: 0.46212789631458756
Energy: 0.4600587859894437
Energy: 0.4621278963161889
Energy: 0.4600587859889099
Energy: 0.46212789631458756
Energy: 0.4600587859889099
Energy: 0.46855662657219227
Energy: 0.6197868670696999
Energy: 0.4685566265711247
Energy: 0.6197868670702337
Energy: 0.46855662657219227
Energy: 0.6197868670702337
Energy: 0.5020324382336181
Energy: 0.4978552107020278
Energy: 0.5020324382362872
Energy: 0.4978552106998926
Energy: 0.5020324382357533
Energy: 0.4978552106998926
Energy: 0.5494144524547312
Energy: 0.5078866485757197
Energy: 0.549414452455265
Energy: 0.5078866485751861
Energy: 0.549414452455265
Energy: 0.5078866485757197
Energy: 0.45682145869915575
Energy: 0.4762627933392228
Energy: 0.4568214587002233
Energy: 0.4762627933370875
Energy: 0.45682145869915575
Energy: 0.4762627933402903
Energy: 0.47188633577008604
Energy: 0.4767360980531064
Energy: 0.47188633577008604
Energy: 0.4767360980536402
Energy: 0.47188633577008604
Energy: 0.4767360980536402
Energy: 0.44837742286055143
Energy: 0.48906147154968554
Energy: 0.44837742286001764
Energy: 0.48906147154968554
Energy: 0.44837742286001764
Energy: 0.4890614715502194

minimum gb energy = 0.44583257557231293 eV
minimum distance =  2.39991458434292 Angstroms
sigma value = 33


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

Energy: 0.5835105952001851
Energy: 0.544881323432691
Energy: 0.5410643041666384
Energy: 0.544881323432691
Energy: 0.5835105952005597
Energy: 0.544881323432691
Energy: 0.6048233692167181
Energy: 0.5466964407942907
Energy: 0.6048233692159688
Energy: 0.5466964407942907
Energy: 0.6048233692155942
Energy: 0.5466964407916682
Energy: 0.564111408615867
Energy: 0.5817577235833281
Energy: 0.5641114086162415
Energy: 0.5817577235829534
Energy: 0.5641114086162415
Energy: 0.5817577235769593
Energy: 0.5228609775287738
Energy: 0.5384066534793552
Energy: 0.5228609775310216
Energy: 0.5384066534793552
Energy: 0.5228609775291484
Energy: 0.5384066534782314
Energy: 0.5487757608978835
Energy: 0.6096890040119957
Energy: 0.5487701566075159
Energy: 0.6096890040097478
Energy: 0.5487757608978835
Energy: 0.6096890040089985
Energy: 0.6082980795263415
Energy: 0.5067350023904644
Energy: 0.6082980795263415
Energy: 0.5067350023900898
Energy: 0.6082980795293386
Energy: 0.5067350023829719
Energy: 0.5687054337133723
Energy: 0.6046250981415585
Energy: 0.5687054337114992
Energy: 0.6046250981415585
Energy: 0.5687054337133723
Energy: 0.6046250981423079
Energy: 0.5402207105754109
Energy: 0.5688451646662762
Energy: 0.5402207105746617
Energy: 0.5688451646655269
Energy: 0.5402207105757855
Energy: 0.5688451646606567
Energy: 0.6476770993285043
Energy: 0.5631309361114245
Energy: 0.6476319979222357
Energy: 0.5631309361110498
Energy: 0.6476770993277551
Energy: 0.563130936111799
Energy: 0.760324764068226
Energy: 0.5567559440108926
Energy: 0.7603247640678513
Energy: 0.5567559440112673
Energy: 0.7603247640715977
Energy: 0.5567559440101434
Energy: 0.5805052321592209
Energy: 0.5343961864945799
Energy: 0.5805052321588464
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Energy: 0.5473073935632604
Energy: 0.5387822322438487
Energy: 0.5473073935460273
Energy: 0.5387822322442234
Energy: 0.5473073935677559
Energy: 0.5387822322460966
Energy: 0.519583159016647
Energy: 0.7007039773791555
Energy: 0.5195831590129008
Energy: 0.7007039773780317
Energy: 0.519583159016647
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Energy: 0.5627795876043155
Energy: 0.5792495910841223
Energy: 0.5627795876129321
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Energy: 0.5627795876046902
Energy: 0.5792495910837477
Energy: 0.5560830724738041
Energy: 0.5224561079756349
Energy: 0.5560830724745532
Energy: 0.5224561079748857
Energy: 0.5560830724734294
Energy: 0.5224561079760096
Energy: 0.5559823397362607
Energy: 0.5290305021479622
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Energy: 0.5290305021494608
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Energy: 0.5290305021419681
Energy: 0.5947944235532435
Energy: 0.5461820806923354
Energy: 0.5947944235633585
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Energy: 0.5947944235521196
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Energy: 0.5743980378434644
Energy: 0.5370178469897571
Energy: 0.5743980378430897
Energy: 0.5369907652540522
Energy: 0.5743980378419657
Energy: 0.583874739110296
Energy: 0.5802375042463362
Energy: 0.5838747391099215
Energy: 0.5802375042478348
Energy: 0.5838747391095468
Energy: 0.5802375042422494
Energy: 0.6083051132820778
Energy: 0.5297084848728184
Energy: 0.6083051132876973
Energy: 0.529708484873193
Energy: 0.608305113282827
Energy: 0.5297084848769393
Energy: 0.5425021532757707
Energy: 0.5384448383546441
Energy: 0.542502153281356
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Energy: 0.5425021532761453
Energy: 0.5384448383591397
Energy: 0.5450246889207152
Energy: 0.6072495708225327
Energy: 0.5447670521211838
Energy: 0.6072495708225327
Energy: 0.5450246889210899
Energy: 0.6072495708270282
Energy: 0.5559326309452668
Energy: 0.5398942460442441
Energy: 0.5559326309452668
Energy: 0.5398942460438695
Energy: 0.5559326309456414
Energy: 0.5398942460506129
Energy: 0.5418223848669907
Energy: 0.5595949856059368
Energy: 0.5418223848688638
Energy: 0.5595949856063113
Energy: 0.5418223848673653
Energy: 0.5595949856029396
Energy: 0.6141126957399649
Energy: 0.5461342779756616
Energy: 0.6141126957474575
Energy: 0.5461342779760363
Energy: 0.6141126957407141
Energy: 0.5461342779801571
Energy: 0.5050791310896052
Energy: 0.5591061854306401
Energy: 0.5050791310836111
Energy: 0.5591061854306401
Energy: 0.5050791310896052
Energy: 0.5591061854276429
Energy: 0.5570536799114453
Energy: 0.5699884788511062
Energy: 0.5570536799099468
Energy: 0.5699884788514807
Energy: 0.5570536799114453
Energy: 0.5699884788559423
Energy: 0.5764207242453159
Energy: 0.5400380342054915
Energy: 0.5303291560852714
Energy: 0.5400380342058662
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Energy: 0.5400380342103617
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Energy: 0.7004715936547514
Energy: 0.5648242375924549
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Energy: 0.5648242375958267
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Energy: 0.5544138317242946
Energy: 0.7081440348959136
Energy: 0.5256570998769899
Energy: 0.5365267960367837
Energy: 0.525657099873993
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Energy: 0.5256570998762408
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Energy: 0.7401007785841205
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Energy: 0.7401007785691353
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Energy: 0.7401007785586796
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Energy: 0.5774926709977912
Energy: 0.5592973207937726
Energy: 0.5774926709951689
Energy: 0.5592973207937726
Energy: 0.5774926709977912
Energy: 0.5592973207930233
Energy: 0.5343157635330839
Energy: 0.5594773625276938
Energy: 0.5343157635315854
Energy: 0.5594773625276938
Energy: 0.5343157635330839
Energy: 0.5594773625314401
Energy: 0.8536096678523627
Energy: 0.5614482797583358
Energy: 0.8536763014789066
Energy: 0.5614482797587105
Energy: 0.8536096678523627
Energy: 0.5614482797598342
Energy: 0.5414545758325157
Energy: 0.6353425316373416
Energy: 0.5414545758325157
Energy: 0.6353425316362178
Energy: 0.5414545758328903
Energy: 0.6353425316047487
Energy: 0.5716832893455602
Energy: 0.5366339074252651
Energy: 0.5716832893474333
Energy: 0.5366339074252651
Energy: 0.5716832893459348
Energy: 0.5366339074256398
Energy: 0.6020230573839161
Energy: 0.6298089601679567
Energy: 0.6020216067437704
Energy: 0.6298089601683312
Energy: 0.6020230573839161
Energy: 0.6298089601687059
Energy: 0.5185605120628884
Energy: 0.6478093689212705
Energy: 0.5185605120636377
Energy: 0.6478093689212705
Energy: 0.5185605120617646
Energy: 0.6478093689205213
Energy: 0.5304450540295823
Energy: 0.5390600837756412
Energy: 0.5304450540277093
Energy: 0.5390600837756412
Energy: 0.5304450540295823
Energy: 0.5390600837700218
Energy: 0.6039626388869365
Energy: 0.5243197482870412
Energy: 0.6039626388880264
Energy: 0.5243197482866665
Energy: 0.6039626388869365
Energy: 0.5243197482862919
Energy: 0.5512974241111386
Energy: 0.559305738957041
Energy: 0.5512974241133864
Energy: 0.5593057389566665
Energy: 0.5512974241115133
Energy: 0.5593057389544187
Energy: 0.567345995175431
Energy: 0.5467197289173948
Energy: 0.5673459951780534
Energy: 0.5467197289177694
Energy: 0.567345995176555
Energy: 0.5467197289173948
Energy: 0.5415092892404064
Energy: 0.6071159798906042
Energy: 0.5415095176408393
Energy: 0.6071159798909787
Energy: 0.541509289239657
Energy: 0.6071159798950998
Energy: 0.5557710326287257
Energy: 0.541714182538237
Energy: 0.555771032628351
Energy: 0.5417141825378623
Energy: 0.5557710326287257
Energy: 0.5417141825356145
Energy: 0.5447565348896962
Energy: 0.5600087687670409
Energy: 0.5447565348904454
Energy: 0.5600087687670409
Energy: 0.5447565348900709
Energy: 0.5600087687644185

minimum gb energy = 0.5050791310836111 eV
minimum distance =  2.3997805709758 Angstroms
sigma value = 67


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

Energy: 0.5634236514831117
Energy: 0.5471181841865421
Energy: 0.5634236514831117
Energy: 0.547118184186286
Energy: 0.5634236514833393
Energy: 0.5471181841865421
Energy: 0.5570942454519223
Energy: 0.5348941484241235
Energy: 0.5570942454514102
Energy: 0.5348941484246074
Energy: 0.5570942454514102
Energy: 0.5348941484238676
Energy: 0.6873386033542959
Energy: 0.6565232914875365
Energy: 0.6873386033540396
Energy: 0.6565232914872805
Energy: 0.9746518336807467
Energy: 0.6565232914875365
Energy: 0.557090745153942
Energy: 0.5349173964649158
Energy: 0.5570907451536858
Energy: 0.534917396464688
Energy: 0.5570907451536858
Energy: 0.5349173964644319
Energy: 0.5634236514848473
Energy: 0.5471181841865421
Energy: 0.5634236514853594
Energy: 0.5471181841865421
Energy: 0.5634236514851034
Energy: 0.5471181841867697
Energy: 0.5570942454501583
Energy: 0.5348941484238676
Energy: 0.5570942454501583
Energy: 0.5348941484233555
Energy: 0.5570942454511542
Energy: 0.5348941484238676
Energy: 0.7628869454804331
Energy: 0.6565232914885324
Energy: 0.9746518336804906
Energy: 0.6565232914885324
Energy: 0.7628869454806891
Energy: 0.6565232914887884

minimum gb energy = 0.5348941484233555 eV
minimum distance =  2.4112474293025 Angstroms
sigma value = 3


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

Energy: 0.8073637881322585
Energy: 0.6981325928461369
Energy: 0.7744423397377969
Energy: 0.6981325928450838
Energy: 0.8073637881285416
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Energy: 0.6989587681812447
Energy: 0.6701502316689304
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Energy: 0.6701502316553635
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Energy: 0.6821958628487526
Energy: 0.6663547493426902
Energy: 0.6484184677311806
Energy: 0.6663547493474604
Energy: 0.6484184677314904
Energy: 0.7268353675125702
Energy: 0.7536671456275379
Energy: 0.7268353675115171
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Energy: 0.7268353675180218
Energy: 0.7536671456245023
Energy: 0.6779405248250422
Energy: 0.7119274477371015
Energy: 0.6779405248250422
Energy: 0.7119274477405085
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Energy: 0.709249738120517
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Energy: 0.7372414953475493
Energy: 0.6612838723909099
Energy: 0.7372414953471776
Energy: 0.6671989947919631
Energy: 0.7344679424751474
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Energy: 0.7328625633232242
Energy: 0.6671989947813698
Energy: 0.7344679424765103
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Energy: 0.655187472634647
Energy: 0.7121727327668724
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Energy: 0.655187472638364
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Energy: 0.6540489853244608
Energy: 0.6797579665243273
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Energy: 0.6540489853271866
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Energy: 0.6677240634818894
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Energy: 0.6677240634781724
Energy: 0.7176674487131998
Energy: 0.6677240634808982
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Energy: 0.6445740511088172
Energy: 0.6700657766298692
Energy: 0.6445740511064012
Energy: 0.6700657766271434
Energy: 0.6445740511057196
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Energy: 0.7153664332088089
Energy: 0.7373791061871008
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Energy: 0.6537324911031479
Energy: 0.6740336542441661
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Energy: 0.6537324911085994
Energy: 0.7021426393632678
Energy: 0.7316349673327956
Energy: 0.7021426393588075
Energy: 0.7316349673348399
Energy: 0.7021426393544091
Energy: 0.7316349673351498
Energy: 0.6670265068639243
Energy: 0.6830899042872137
Energy: 0.6670265068639243
Energy: 0.6830899042854791
Energy: 0.6670265068618799
Energy: 0.6830899042865323
Energy: 0.7363936778666468
Energy: 0.6957925044666845
Energy: 0.7363920198529803
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Energy: 0.6766392505059357
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Energy: 0.6863346960133825
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Energy: 0.6845232048802731
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Energy: 0.6560274443896098
Energy: 0.7186841420487813
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Energy: 0.7186841420477901
Energy: 0.695680706287497
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Energy: 0.6956807062885502
Energy: 0.6758440652630587
Energy: 0.70437549029011
Energy: 0.6760057404877483
Energy: 0.7043754902955616
Energy: 0.6758440652657844
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Energy: 0.6827627119007129
Energy: 0.7120162454712498
Energy: 0.6827627119041202
Energy: 0.7120162454640636
Energy: 0.6827627119037485
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Energy: 0.6982012638254883
Energy: 0.6664918202349696
Energy: 0.6982012638248067
Energy: 0.6664918202332969
Energy: 0.6982012638288954
Energy: 0.6664918202199778
Energy: 0.6852126641991173
Energy: 0.7150126187947397
Energy: 0.6852126641970729
Energy: 0.7150126187930052
Energy: 0.6852126641899488
Energy: 0.7150126187926954
Energy: 0.7239387765395365
Energy: 0.6751687791370257
Energy: 0.6842551526969459
Energy: 0.67516877914384
Energy: 0.7239387765436252
Energy: 0.6751687791441499
Energy: 0.7239497108844118
Energy: 0.6390114514615455
Energy: 0.6815227067228256
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Energy: 0.7158577936198812
Energy: 0.6586425990654711
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Energy: 0.7263318073996113
Energy: 0.6856902949472428
Energy: 0.7263318074006645
Energy: 0.6856902949424727
Energy: 0.7263318074006645
Energy: 0.6834921201449496
Energy: 0.718398898800528
Energy: 0.6834921201432771
Energy: 0.718398898806661
Energy: 0.6834921201394981
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Energy: 0.6966292721162293
Energy: 0.6845004622676574
Energy: 0.6966292721104679
Energy: 0.6845004622563824
Energy: 0.6966292721199461
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Energy: 0.7378350158643623
Energy: 0.6955385818048236
Energy: 0.7282172868885356
Energy: 0.6955385818095936
Energy: 0.737835015854822
Energy: 0.6955385818102751
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Energy: 0.7318772791562084
Energy: 0.7022570680402155
Energy: 0.7318772791619695
Energy: 0.7019139638205425
Energy: 0.7318772791637043
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Energy: 0.6699390742818551
Energy: 0.6843185303091243
Energy: 0.6699390742777664
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Energy: 0.6699390742777664
Energy: 0.6642205279985888
Energy: 0.7000783337814557
Energy: 0.6642205279992702
Energy: 0.7000783337885798
Energy: 0.6642205279954913
Energy: 0.7000783337885798
Energy: 0.7173929848372951
Energy: 0.6954106879028298
Energy: 0.7173929848356223
Energy: 0.6954106879062371
Energy: 0.7173929848315337
Energy: 0.6954106879069185
Energy: 0.6677346868642541
Energy: 0.7931626498713072
Energy: 0.6674817506579941
Energy: 0.7931626498679001
Energy: 0.6677346868683428
Energy: 0.7931626498679001
Energy: 0.7459918903359811
Energy: 0.6715383673748748
Energy: 0.745991890347194
Energy: 0.6715383673776005
Energy: 0.7459918903431054
Energy: 0.6715383673776005
Energy: 0.6798050117793035
Energy: 0.6678982545231827
Energy: 0.6798050117799849
Energy: 0.6678982545071998
Energy: 0.6798050117758963
Energy: 0.6678982545065184
Energy: 0.6845425305555786
Energy: 0.6594847654423005
Energy: 0.6845425305542157
Energy: 0.6594847654378401
Energy: 0.6845425305573132
Energy: 0.6594847654378401
Energy: 0.6709138417350511
Energy: 0.6929444158875004
Energy: 0.6709138417364139
Energy: 0.6929444158884915
Energy: 0.6709138417421753
Energy: 0.6929444158888632
Energy: 0.7410571564650812
Energy: 0.6638151089500555
Energy: 0.7410571564684882
Energy: 0.663815108948321
Energy: 0.7410571564718955
Energy: 0.6638151089490024
Energy: 0.7206916021679225
Energy: 0.6689565923940394
Energy: 0.7206891110428423
Energy: 0.6689565923919951
Energy: 0.7206916021651967
Energy: 0.6689565923909419
Energy: 0.6901618841367253
Energy: 0.674542268800934
Energy: 0.6901618841343093
Energy: 0.6745422687961639
Energy: 0.6901618841374069
Energy: 0.6745422687965357
Energy: 0.6677789972503804
Energy: 0.7267458313763475
Energy: 0.6677789972513716
Energy: 0.7267458313845248
Energy: 0.6677789972466014
Energy: 0.726745831384153
Energy: 0.7018710471969594
Energy: 0.7032330782297277
Energy: 0.7018710471894635
Energy: 0.7032330782226035
Energy: 0.7018710471942335
Energy: 0.7032330782222318
Energy: 0.6983310616480048
Energy: 0.7070845718353145
Energy: 0.6982927321842454
Energy: 0.7070845718328985
Energy: 0.6983310616524652
Energy: 0.7070845718332702

minimum gb energy = 0.6390114514612357 eV
minimum distance =  2.37037546723949 Angstroms
sigma value = 81


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

Energy: 0.8236177300960837
Energy: 0.7072548018539218
Energy: 0.696300373127957
Energy: 0.7072548018557925
Energy: 0.823617730098422
Energy: 0.7072548018590659
Energy: 0.7718933913051027
Energy: 0.7348177735722236
Energy: 0.7718933913079085
Energy: 0.7387952858470577
Energy: 0.7718933913107143
Energy: 0.7348177735759647
Energy: 0.7080998449909004
Energy: 0.6085663286768535
Energy: 0.7092037575185096
Energy: 0.6085663286754505
Energy: 0.7080998449871594
Energy: 0.6085663286763858
Energy: 0.6478060803556649
Energy: 0.6352228271539381
Energy: 0.6478060803556649
Energy: 0.6352228271544057
Energy: 0.6478060803547298
Energy: 0.6352228271534704
Energy: 0.7781112311331748
Energy: 0.6608299389337051
Energy: 0.7781112311345777
Energy: 0.6608299389337051
Energy: 0.7781112311378511
Energy: 0.6608299389332374
Energy: 0.6913082644543219
Energy: 0.7009855442005383
Energy: 0.6913082644510484
Energy: 0.6563498847711932
Energy: 0.6913082644496455
Energy: 0.7009855442014735
Energy: 0.6713179094005444
Energy: 0.7064742615023796
Energy: 0.6715098197047039
Energy: 0.6607524507187827
Energy: 0.6713179094052206
Energy: 0.7064742615009765
Energy: 0.7176451826370727
Energy: 0.7655348486042136
Energy: 0.7177088716989946
Energy: 0.7655348486126311
Energy: 0.717645182632864
Energy: 0.7655348486135665
Energy: 0.7191412324535336
Energy: 0.6812911634225992
Energy: 0.7191412324521307
Energy: 0.6812911634263403
Energy: 0.7191412324544688
Energy: 0.6812911634305491
Energy: 0.7620829738372377
Energy: 0.6898110590901584
Energy: 0.7620829738400436
Energy: 0.6898110590910937
Energy: 0.7620829738400436
Energy: 0.6898110590915614
Energy: 0.7494270365135781
Energy: 0.727976927628019
Energy: 0.7494270365117076
Energy: 0.7279769276294219
Energy: 0.7494270365135781
Energy: 0.727976927626616
Energy: 0.7103443443960682
Energy: 0.7058949449960368
Energy: 0.7103552954890294
Energy: 0.7055667861084599
Energy: 0.7103443443960682
Energy: 0.7058949449927633
Energy: 0.7638385933173804
Energy: 0.7903686712992274
Energy: 0.7638385933173804
Energy: 0.79050927029898
Energy: 0.7638385933136393
Energy: 0.7903686713010979
Energy: 0.6816703246565371
Energy: 0.6030711364464452
Energy: 0.6816703246528386
Energy: 0.6030711364483158
Energy: 0.6816703246546666
Energy: 0.6030711364469128
Energy: 0.6037068179894041
Energy: 0.6754802242043652
Energy: 0.6037068179926776
Energy: 0.6754802242038976
Energy: 0.603706817990807
Energy: 0.6754802242038976
Energy: 0.7103157256011847
Energy: 0.6291956745507024
Energy: 0.7103157255965085
Energy: 0.6291956745539757
Energy: 0.7103157255988465
Energy: 0.629195674554911
Energy: 0.7429258792892824
Energy: 0.6566295801051248
Energy: 0.7429258792869444
Energy: 0.6874302796227372
Energy: 0.7429258792878796
Energy: 0.656629580107463
Energy: 0.6324957713404717
Energy: 0.7742382207656614
Energy: 0.6964414740557324
Energy: 0.7742382207600498
Energy: 0.632495771346551
Energy: 0.7742382207637909
Energy: 0.6048744246874341
Energy: 0.7113877536608847
Energy: 0.6048744246883693
Energy: 0.7120758088174431
Energy: 0.6048744246902399
Energy: 0.7113877536524673
Energy: 0.6688214426213285
Energy: 0.741038630268152
Energy: 0.6688214426213285
Energy: 0.7410386302737636
Energy: 0.6688214426199255
Energy: 0.7410386302658137
Energy: 0.6593577796850962
Energy: 0.7900567419804997
Energy: 0.6593577796846286
Energy: 0.7900567419748881
Energy: 0.6593577796836932
Energy: 0.790056741981435
Energy: 0.7305790969143586
Energy: 0.7271728858629385
Energy: 0.6362579810890122
Energy: 0.7271728858666796
Energy: 0.7305790969195026
Energy: 0.7271728858648091
Energy: 0.707322160529623
Energy: 0.5992221246685876
Energy: 0.639516327718037
Energy: 0.5992221246662495
Energy: 0.7073221605268173
Energy: 0.5992221246737316
Energy: 0.7629971279048436
Energy: 0.7101492015524704
Energy: 0.7629971279048436
Energy: 0.7102740518840562
Energy: 0.762997127910923
Energy: 0.710149201552938
Energy: 0.681232479791056
Energy: 0.6734770474830393
Energy: 0.6812324797868471
Energy: 0.6734770474769601
Energy: 0.681232479784509
Energy: 0.6734770474741543
Energy: 0.7065381018168481
Energy: 0.8067620976973671
Energy: 0.7065381018135745
Energy: 0.8067620976940937
Energy: 0.7065381018205891
Energy: 0.8067620976917556
Energy: 0.7390820685252281
Energy: 0.6467688512257681
Energy: 0.7390820685270987
Energy: 0.646768851222027
Energy: 0.7390820685214871
Energy: 0.6467688512276386
Energy: 0.710576948415001
Energy: 0.6866273931028414
Energy: 0.710707255258409
Energy: 0.6569138280611386
Energy: 0.7105769484247788
Energy: 0.6866273930986326
Energy: 0.7807434715787414
Energy: 0.7758305069385368
Energy: 0.7851055834645796
Energy: 0.775830506942278
Energy: 0.7807434715782736
Energy: 0.7758305069376016
Energy: 0.6032555064250019
Energy: 0.6811708165549805
Energy: 0.6032555064240666
Energy: 0.6812635034474331
Energy: 0.6032555064268724
Energy: 0.6811708165498365
Energy: 0.6329442401564573
Energy: 0.607145064480656
Energy: 0.6329442401559898
Energy: 0.6071450644787855
Energy: 0.6329442401597309
Energy: 0.6071450644764473
Energy: 0.6621946797632803
Energy: 0.7105245186479188
Energy: 0.6621946797646833
Energy: 0.7105245186497893
Energy: 0.6621946797702949
Energy: 0.7105245186511921
Energy: 0.7100395245942452
Energy: 0.708641641785692
Energy: 0.7100533016866423
Energy: 0.7086173766545789
Energy: 0.7100395245914395
Energy: 0.7086416417917714
Energy: 0.7104816896671128
Energy: 0.6702713685141916
Energy: 0.7104957469164885
Energy: 0.6702739547943289
Energy: 0.710481689666645
Energy: 0.6702713685184003
Energy: 0.6881768084774066
Energy: 0.7809898724809817
Energy: 0.6837439897838951
Energy: 0.7809898724837876
Energy: 0.688176808482083
Energy: 0.7809898724781759
Energy: 0.757581565393018
Energy: 0.6718358386708034
Energy: 0.7575815653934855
Energy: 0.6718358386773077
Energy: 0.7575815653906798
Energy: 0.671835838672674
Energy: 0.7563065951432255
Energy: 0.657012939670842
Energy: 0.7563065951455638
Energy: 0.6570129396661655
Energy: 0.7563065951394844
Energy: 0.6570129396703742
Energy: 0.7255983830107495
Energy: 0.6609933256706451
Energy: 0.7255983830163611
Energy: 0.7152154935557408
Energy: 0.7255983830074759
Energy: 0.6609933256711127

minimum gb energy = 0.5992221246662495 eV
minimum distance =  2.38656782523743 Angstroms
sigma value = 43


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

Energy: 0.7599184668352716
Energy: 0.6264904473841696
Energy: 0.7599184668346972
Energy: 0.6264904473841696
Energy: 0.7599184668346972
Energy: 0.626490447384744
Energy: 0.6498915935337761
Energy: 0.6196910829519823
Energy: 0.6498915935337761
Energy: 0.6196910829519823
Energy: 0.6498915935332018
Energy: 0.6196910829519823
Energy: 0.7057871782514473
Energy: 0.7199520167522245
Energy: 0.7057871782508991
Energy: 0.71995201675165
Energy: 0.7057871782508991
Energy: 0.7199520167522245
Energy: 0.62565919020141
Energy: 0.651679953032608
Energy: 0.62565919020141
Energy: 0.6516799530320335
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Energy: 0.6516799530314591
Energy: 0.7037133968859194
Energy: 0.6794388599316904
Energy: 0.7037133968847705
Energy: 0.6794388599334136
Energy: 0.7037133968859194
Energy: 0.6794388599322647
Energy: 0.6419096826712983
Energy: 0.6619752848015071
Energy: 0.6419096826712983
Energy: 0.6619752848020817
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Energy: 0.6619752848020817
Energy: 0.6401233860416525
Energy: 0.7205402687260309
Energy: 0.6401233860416525
Energy: 0.7205402687260309
Energy: 0.640123386042227
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Energy: 0.6395001884417414
Energy: 0.6704794074383083
Energy: 0.6395001884423157
Energy: 0.6704794074377338
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Energy: 0.6704794074371594
Energy: 0.7406261696462946
Energy: 0.6184759508744362
Energy: 0.7406261696462946
Energy: 0.6184759508744362
Energy: 0.740626169646869
Energy: 0.6184759508738619
Energy: 0.6607747508431885
Energy: 0.6576755321097139
Energy: 0.6607747508420396
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Energy: 0.6607747508437629
Energy: 0.6576755321097139
Energy: 0.6376688464882078
Energy: 0.6663923043124718
Energy: 0.6376688464887822
Energy: 0.6663923043130462
Energy: 0.6376688464893565
Energy: 0.6663923043130462
Energy: 0.6395156430863195
Energy: 0.6592989393667085
Energy: 0.6395156430863195
Energy: 0.6592989392621924
Energy: 0.6395156430863195
Energy: 0.6592989393351161
Energy: 0.7245392086958405
Energy: 0.6630634018392881
Energy: 0.7245392086946917
Energy: 0.6630634018398626
Energy: 0.7245392086958405
Energy: 0.6630634018392881
Energy: 0.6128464728878062
Energy: 0.6589835513423307
Energy: 0.6128464728866574
Energy: 0.6589835513423307
Energy: 0.6128464728878062
Energy: 0.6589835513417562
Energy: 0.6382863514600351
Energy: 0.6830210742542956
Energy: 0.6382863514577375
Energy: 0.6830210742542956
Energy: 0.6382863514594607
Energy: 0.6830210742537212
Energy: 0.6576288658297079
Energy: 0.7185324232487559
Energy: 0.6576288658187941
Energy: 0.7185324232481816
Energy: 0.6576288658187941
Energy: 0.7185324232481816
Energy: 0.6775387247183294
Energy: 0.6205513949512215
Energy: 0.6775387247149092
Energy: 0.6205513949506472
Energy: 0.6775387247194783
Energy: 0.6205513949506472
Energy: 0.6988343951632545
Energy: 0.6492040392737444
Energy: 0.6988343951632545
Energy: 0.64920403927317
Energy: 0.6988343951638288
Energy: 0.64920403927317
Energy: 0.6984979899358952
Energy: 0.6359852966014996
Energy: 0.6984979899364696
Energy: 0.6359852966014996
Energy: 0.6984979899358952
Energy: 0.6359852966014996
Energy: 0.6776405274152058
Energy: 0.6204970221467971
Energy: 0.6776405274180777
Energy: 0.6204970221467971
Energy: 0.6776405274146313
Energy: 0.6204970221467971
Energy: 0.6578674321337804
Energy: 0.6597111993909828
Energy: 0.6578674321337804
Energy: 0.6597111993909828
Energy: 0.6578674321337804
Energy: 0.6597111993909828
Energy: 0.6923995991443267
Energy: 0.7172758823393673
Energy: 0.6923995991449012
Energy: 0.7172758823393673
Energy: 0.6923995991443267
Energy: 0.7172758823399418
Energy: 0.6131409436795862
Energy: 0.6823942152476927
Energy: 0.6131409436801606
Energy: 0.682394215246544
Energy: 0.6131409436801606
Energy: 0.6823942152476927
Energy: 0.7227796706225945
Energy: 0.6619579954436474
Energy: 0.7227796706220201
Energy: 0.661957995443073
Energy: 0.7227796706220201
Energy: 0.661957995443073
Energy: 0.6390725127623886
Energy: 0.6423259304753836
Energy: 0.6390725127606655
Energy: 0.6423259304753836
Energy: 0.6390725127623886
Energy: 0.6423259304753836
Energy: 0.6928680933705972
Energy: 0.6704523816712048
Energy: 0.6928680933705972
Energy: 0.6704523816712048
Energy: 0.6928680933705972
Energy: 0.6704523816712048
Energy: 0.6694557263018025
Energy: 0.6195537302383615
Energy: 0.6694557263006538
Energy: 0.6195537302377871
Energy: 0.6694557263006538
Energy: 0.6195537302389359
Energy: 0.6845430662400614
Energy: 0.6951805919055819
Energy: 0.6845430662400614
Energy: 0.6951805919055819
Energy: 0.6845430662389126
Energy: 0.6951805919055819
Energy: 0.6390589779089016
Energy: 0.6706728239599533
Energy: 0.6390589779083273
Energy: 0.6706728239599533
Energy: 0.6390589779094761
Energy: 0.6706728239605277
Energy: 0.6737223083443941
Energy: 0.6594123496809859
Energy: 0.6737223083455429
Energy: 0.6594123496798371
Energy: 0.6737223083449685
Energy: 0.6594123496763906
Energy: 0.6431243499267766
Energy: 0.6614580271876488
Energy: 0.643124349927351
Energy: 0.6614580271870744
Energy: 0.6431243499267766
Energy: 0.6614580271870744

minimum gb energy = 0.6128464728866574 eV
minimum distance =  2.36420221906367 Angstroms
sigma value = 57


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

Energy: 0.6854978193709501
Energy: 0.6164991522345492
Energy: 0.6854978193702065
Energy: 0.616499152235293
Energy: 0.6854978193702065
Energy: 0.6164991522345492
Energy: 0.6513420022644161
Energy: 0.5848959412624691
Energy: 0.6513420022621849
Energy: 0.5848959412624691
Energy: 0.6513420022636723
Energy: 0.5848959412624691
Energy: 0.6702198160020968
Energy: 0.7140101710336094
Energy: 0.670219816001353
Energy: 0.7140101710336094
Energy: 0.6702198160028406
Energy: 0.7140101710328657
Energy: 0.635301716916258
Energy: 0.6782340472283906
Energy: 0.6353017169155143
Energy: 0.6782340472283906
Energy: 0.6353017169155143
Energy: 0.6782340472269032
Energy: 0.6368507747395687
Energy: 0.6766015781992852
Energy: 0.6368507747514685
Energy: 0.6766015781977978
Energy: 0.6368507747470062
Energy: 0.6766015781985415
Energy: 0.6688015299320171
Energy: 0.6782493270070571
Energy: 0.668801529937967
Energy: 0.6290576878403219
Energy: 0.6688015299349921
Energy: 0.6782493270078008
Energy: 0.6747443779788259
Energy: 0.7094890196131443
Energy: 0.6747443779810571
Energy: 0.7094890196131443
Energy: 0.6747443779818009
Energy: 0.7094890196131443
Energy: 0.6356231959373322
Energy: 0.6396626625844855
Energy: 0.6356231959365884
Energy: 0.6396626625844855
Energy: 0.635623195938076
Energy: 0.6396626625852291
Energy: 0.6428864764055561
Energy: 0.585654827806032
Energy: 0.6428864764062998
Energy: 0.5856548278052882
Energy: 0.6428864764040687
Energy: 0.585654827806032
Energy: 0.6075358295024262
Energy: 0.7268951254753278
Energy: 0.6075358295039136
Energy: 0.7268951254753278
Energy: 0.60753582950317
Energy: 0.7268951254775589
Energy: 0.6746098990963563
Energy: 0.6754141974410518
Energy: 0.6746098990970999
Energy: 0.6754141974417956
Energy: 0.6746098990963563
Energy: 0.6754141974417956
Energy: 0.6439677965998047
Energy: 0.6995381889063258
Energy: 0.6439677966005484
Energy: 0.699538188922688
Energy: 0.643967796599061
Energy: 0.699538188914507
Energy: 0.6986906646855673
Energy: 0.5858261300977243
Energy: 0.6986906646848234
Energy: 0.5858261300984681
Energy: 0.6986906646848234
Energy: 0.5858261300977243
Energy: 0.7333321875350051
Energy: 0.5918199652837858
Energy: 0.7333321875357488
Energy: 0.5918199652837858
Energy: 0.7333321875357488
Energy: 0.5918199652845295
Energy: 0.6525924656931587
Energy: 0.588818518802523
Energy: 0.6525924656931587
Energy: 0.588818518802523
Energy: 0.6525924656939025
Energy: 0.588818518802523
Energy: 0.6658685254027362
Energy: 0.6891379247791622
Energy: 0.6658685253990175
Energy: 0.6891379247791622
Energy: 0.6658685254019926
Energy: 0.6891379247791622
Energy: 0.6005161715865359
Energy: 0.6495616184992209
Energy: 0.6005161715872798
Energy: 0.6495616184992209
Energy: 0.6005161715872798
Energy: 0.6495616184992209
Energy: 0.6734981652769205
Energy: 0.6793475762181879
Energy: 0.6734981652754332
Energy: 0.6793475762181879
Energy: 0.6734981652769205
Energy: 0.6793475762181879
Energy: 0.6003955700705979
Energy: 0.6496355403949979
Energy: 0.6003955700720852
Energy: 0.6496355403949979
Energy: 0.6003955700698541
Energy: 0.6496355403949979
Energy: 0.6659377818569955
Energy: 0.6891354295859805
Energy: 0.665937781852533
Energy: 0.6891354295859805
Energy: 0.6659377818547642
Energy: 0.6891354295852368
Energy: 0.6526537436471398
Energy: 0.5889649244440934
Energy: 0.6526537436478834
Energy: 0.5889649244440934
Energy: 0.6526537436478834
Energy: 0.5889649244440934
Energy: 0.7335982008677037
Energy: 0.6318180514165762
Energy: 0.7335982008677037
Energy: 0.6318180514165762
Energy: 0.7335982008684474
Energy: 0.6318180514165762
Energy: 0.6987859843127492
Energy: 0.585986382520636
Energy: 0.6987859843112617
Energy: 0.585986382520636
Energy: 0.6987859843127492
Energy: 0.5859863825198922
Energy: 0.6439652463739086
Energy: 0.6995859967714518
Energy: 0.6439652463753961
Energy: 0.6995859967736829
Energy: 0.6439652463739086
Energy: 0.6995859967729392

minimum gb energy = 0.5848959412624691 eV
minimum distance =  2.38340146497161 Angstroms
sigma value = 17


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

Energy: 0.6176860974264723
Energy: 0.5850702836022279
Energy: 0.6176860974296278
Energy: 0.5850702836022279
Energy: 0.6176860974306796
Energy: 0.5850702836022279
Energy: 0.5785859511388685
Energy: 0.5658272748334989
Energy: 0.5785859511367649
Energy: 0.5658272748334989
Energy: 0.5785859511388685
Energy: 0.5658272748345508
Energy: 0.662720135625591
Energy: 0.6581576811835042
Energy: 0.6627201356276945
Energy: 0.6581576811835042
Energy: 0.6627201356266428
Energy: 0.6581576811835042
Energy: 0.5638424370839641
Energy: 0.6542354207225367
Energy: 0.5638424370839641
Energy: 0.6542354207225367
Energy: 0.5638424370839641
Energy: 0.6542354207225367
Energy: 0.5547473795243775
Energy: 0.62886034061366
Energy: 0.5547849618753635
Energy: 0.6288603404548861
Energy: 0.5547424969323562
Energy: 0.6288603407492703
Energy: 0.6127249608216105
Energy: 0.5652647201482631
Energy: 0.6127249608216105
Energy: 0.5652647201503668
Energy: 0.6127249608216105
Energy: 0.5652647201503668
Energy: 0.5707504407771421
Energy: 0.5851193608043708
Energy: 0.5707504407771421
Energy: 0.5851193608033189
Energy: 0.5707504407760904
Energy: 0.5851193608033189
Energy: 0.5637606884340587
Energy: 0.6387654151391514
Energy: 0.5637606884351105
Energy: 0.6387654151380996
Energy: 0.5637606884340587
Energy: 0.6387654151380996
Energy: 0.6418938699573568
Energy: 0.5651314547988998
Energy: 0.6418938699573568
Energy: 0.5651314547988998
Energy: 0.6418938699573568
Energy: 0.5651314547988998
Energy: 0.6088622687855626
Energy: 0.5757222233393068
Energy: 0.6088622687845107
Energy: 0.5757222233403586
Energy: 0.6088622687855626
Energy: 0.5757222233403586
Energy: 0.5986496786961532
Energy: 0.5935947350435409
Energy: 0.5986496786961532
Energy: 0.5935947350435409
Energy: 0.5986496786961532
Energy: 0.5935947350435409
Energy: 0.6214204366082304
Energy: 0.584741506392352
Energy: 0.6214204366082304
Energy: 0.584741506392352
Energy: 0.6214204366082304
Energy: 0.584741506392352
Energy: 0.5456171944730266
Energy: 0.6446355965483453
Energy: 0.5456171944730266
Energy: 0.6446355965472935
Energy: 0.5456171944730266
Energy: 0.6446355965472935
Energy: 0.608465034582343
Energy: 0.663118061803982
Energy: 0.6084650345833948
Energy: 0.6631180618050339
Energy: 0.6084650345833948
Energy: 0.6631180618050339
Energy: 0.6124743851062824
Energy: 0.5713420782106583
Energy: 0.6124743851062824
Energy: 0.5713420782096066
Energy: 0.6124743851073341
Energy: 0.5713420782096066
Energy: 0.6125331598982462
Energy: 0.5647277352900235
Energy: 0.6125331598971944
Energy: 0.5647277352889717
Energy: 0.6125331598971944
Energy: 0.5647277352900235
Energy: 0.6077296057637175
Energy: 0.6632298329275194
Energy: 0.6077296057626655
Energy: 0.6632298329275194
Energy: 0.6077296057637175
Energy: 0.6632298329275194

minimum gb energy = 0.5456171944730266 eV
minimum distance =  2.3669050788148 Angstroms
sigma value = 17


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

Energy: 0.5619433804719219
Energy: 0.5463266195470324
Energy: 0.5619433804686726
Energy: 0.5463266195470324
Energy: 0.5619433804666418
Energy: 0.5463266195474386
Energy: 0.5635131682972946
Energy: 0.5585811199074727
Energy: 0.5635131682964822
Energy: 0.5585811199074727
Energy: 0.563513168296076
Energy: 0.5585811199062541
Energy: 0.6090494736348107
Energy: 0.5806934534724074
Energy: 0.6090494736372476
Energy: 0.5806934534724074
Energy: 0.6090494736352168
Energy: 0.5806934534720013
Energy: 0.5359996200086901
Energy: 0.5908438897839149
Energy: 0.5359996200070654
Energy: 0.590843889784321
Energy: 0.5359996200070654
Energy: 0.5908438897835087
Energy: 0.6273569130842415
Energy: 0.5290548756692409
Energy: 0.6273569130826167
Energy: 0.5290548756696472
Energy: 0.6273569130854599
Energy: 0.5290548756700534
Energy: 0.5951379767871681
Energy: 0.5535674358129355
Energy: 0.5951379767900113
Energy: 0.5535674358129355
Energy: 0.5951379767871681
Energy: 0.5535674358133417
Energy: 0.5599654574475302
Energy: 0.5614897395709667
Energy: 0.5599654574475302
Energy: 0.5614897395709667
Energy: 0.5599654574479364
Energy: 0.5614897395705606
Energy: 0.6026101340168419
Energy: 0.5683890700026237
Energy: 0.6026101340180604
Energy: 0.568389070000593
Energy: 0.6026101340152173
Energy: 0.5683890699993744
Energy: 0.575740621568932
Energy: 0.5405828992994819
Energy: 0.5757406215729937
Energy: 0.5405828992986695
Energy: 0.575740621570963
Energy: 0.5405828992986695
Energy: 0.5566470624177239
Energy: 0.5116826520782124
Energy: 0.5566470624160993
Energy: 0.5116826520782124
Energy: 0.55664706241813
Energy: 0.5116826520786186
Energy: 0.5123032357751152
Energy: 0.576968837273061
Energy: 0.5123032357730843
Energy: 0.5769688372738734
Energy: 0.5123032357755214
Energy: 0.5769688372734671
Energy: 0.6098272009509575
Energy: 0.534464955875866
Energy: 0.6098272009521761
Energy: 0.5344649558762722
Energy: 0.6098272009533946
Energy: 0.5344649558762722
Energy: 0.6009286147315045
Energy: 0.5398446446703851
Energy: 0.6009286147319106
Energy: 0.5398446446699788
Energy: 0.6009286147339414
Energy: 0.5398446446703851
Energy: 0.5496062778972608
Energy: 0.6038097489162226
Energy: 0.5496062779009162
Energy: 0.6038097489166289
Energy: 0.5496062778992915
Energy: 0.6038097489166289
Energy: 0.5816687838661134
Energy: 0.5602358484897809
Energy: 0.5816687838661134
Energy: 0.5602358484893747
Energy: 0.5816687838644887
Energy: 0.5602358484897809
Energy: 0.5191305755223035
Energy: 0.5986606286129068
Energy: 0.5191305755231158
Energy: 0.5986606286133129
Energy: 0.5191305755235219
Energy: 0.5986606286133129
Energy: 0.5576018831593345
Energy: 0.5784599612607152
Energy: 0.5576018831556788
Energy: 0.5784599612607152
Energy: 0.5576018831597406
Energy: 0.5784599612607152
Energy: 0.5856719514726851
Energy: 0.573091868063986
Energy: 0.5856719514641556
Energy: 0.5730918680587058
Energy: 0.5856719514706543
Energy: 0.5730918680631737
Energy: 0.568439158563716
Energy: 0.5755661319847408
Energy: 0.5684391585620915
Energy: 0.5755661319843347
Energy: 0.5684391585633098
Energy: 0.5755661319839286
Energy: 0.5573558192857734
Energy: 0.5207632868015006
Energy: 0.557355819289429
Energy: 0.5207632868015006
Energy: 0.5573558192853673
Energy: 0.5207632868019069
Energy: 0.5684406723598561
Energy: 0.5754283257603523
Energy: 0.5684406723594498
Energy: 0.5754283257595401
Energy: 0.5684406723566435
Energy: 0.5754283257583215
Energy: 0.5854390041355401
Energy: 0.5732181913908901
Energy: 0.5854390041355401
Energy: 0.5732181913904839
Energy: 0.5854390041343585
Energy: 0.5732181913908901
Energy: 0.5575759863316049
Energy: 0.5783449889358625
Energy: 0.5575759863311986
Energy: 0.5783449889358625
Energy: 0.557575986332011
Energy: 0.5783449889358625
Energy: 0.51918339186096
Energy: 0.6198659016787958
Energy: 0.5191833918617723
Energy: 0.619865901679202
Energy: 0.5191833918613661
Energy: 0.619865901679202
Energy: 0.5816520995906111
Energy: 0.5604143969479709
Energy: 0.5816520995922358
Energy: 0.5604143969475648
Energy: 0.5816520995922358
Energy: 0.5604143969479709
Energy: 0.5496544097171863
Energy: 0.6038498528620843
Energy: 0.5496544097184047
Energy: 0.6038498528624904
Energy: 0.5496544097164109
Energy: 0.6038498528620843
Energy: 0.6008766333274977
Energy: 0.5401411728503386
Energy: 0.6008766333283101
Energy: 0.5401411728499323
Energy: 0.6008766333295286
Energy: 0.5401411728499323
Energy: 0.6098525728023713
Energy: 0.5344997423033896
Energy: 0.6098525728039959
Energy: 0.5344997423029835
Energy: 0.6098525728044021
Energy: 0.5344997423033896
Energy: 0.5122577126770772
Energy: 0.5769326283481285
Energy: 0.512257712674234
Energy: 0.5769326283489409
Energy: 0.512257712676671
Energy: 0.5769326283481285
Energy: 0.5566461185564305
Energy: 0.5116926921216705
Energy: 0.5566461185584614
Energy: 0.5116926921220766
Energy: 0.5566461185568367
Energy: 0.5116926921224828
Energy: 0.5760209100016866
Energy: 0.5405320441844896
Energy: 0.5760209100033112
Energy: 0.5405320441848958
Energy: 0.5760209100008743
Energy: 0.5405320441840834
Energy: 0.6025994509649694
Energy: 0.5680179229989029
Energy: 0.6025994509661879
Energy: 0.5680179229984967
Energy: 0.6025994509649694
Energy: 0.5680179229984967
Energy: 0.5599635616669195
Energy: 0.5616220589172072
Energy: 0.5599635616636702
Energy: 0.5616220589176133
Energy: 0.5599635616665134
Energy: 0.5616220589172072
Energy: 0.5949980267063537
Energy: 0.5357126155824277
Energy: 0.5949980267071662
Energy: 0.5357126155828338
Energy: 0.5949980267079785
Energy: 0.5357126155820214
Energy: 0.6273134079396021
Energy: 0.5291725083371667
Energy: 0.6273134079383835
Energy: 0.529172508337979
Energy: 0.6273134079396021
Energy: 0.5291725083375729
Energy: 0.5362643593217334
Energy: 0.5917145929253154
Energy: 0.5362643593225457
Energy: 0.5917145929257216
Energy: 0.536264359323358
Energy: 0.5917145929249092
Energy: 0.6090343580505257
Energy: 0.5804425265892618
Energy: 0.6090343580472763
Energy: 0.5804425265888556
Energy: 0.6090343580501195
Energy: 0.5804425265892618
Energy: 0.5629904617736793
Energy: 0.5290001999341314
Energy: 0.5629904617761163
Energy: 0.529000199933319
Energy: 0.5629904617736793
Energy: 0.5290001999341314
Energy: 0.561943380462174
Energy: 0.5463266195502818
Energy: 0.561943380462174
Energy: 0.5463266195494695
Energy: 0.5619433804674542
Energy: 0.5463266195502818
Energy: 0.5635131682997316
Energy: 0.5412370515274388
Energy: 0.5635131683017625
Energy: 0.541237051527845
Energy: 0.5635131683033872
Energy: 0.541237051527845
Energy: 0.6090494736344044
Energy: 0.5806934534699705
Energy: 0.6090494736372476
Energy: 0.5806934534703766
Energy: 0.6090494736335922
Energy: 0.5806934534703766
Energy: 0.5359996200082838
Energy: 0.5857965805097486
Energy: 0.5359996200099085
Energy: 0.5857965805097486
Energy: 0.5359996200082838
Energy: 0.5857965805097486
Energy: 0.6273569130895217
Energy: 0.5290548756643669
Energy: 0.6273569130874908
Energy: 0.5290548756643669
Energy: 0.6273569130878969
Energy: 0.5290548756647732

minimum gb energy = 0.5116826520782124 eV
minimum distance =  2.39019928885607 Angstroms
sigma value = 57


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

Energy: 0.5227835150052165
Energy: 0.5066179004681133
Energy: 0.5227835150072005
Energy: 0.506617900469436
Energy: 0.5227835150052165
Energy: 0.5066179004687746
Energy: 0.5136599635819359
Energy: 0.5005365654698145
Energy: 0.5136599635845813
Energy: 0.5005365654704759
Energy: 0.5136599635825974
Energy: 0.5005365654698145
Energy: 0.5893098968313971
Energy: 0.5403110208156906
Energy: 0.5893098968307358
Energy: 0.5403110208156906
Energy: 0.5893098968320586
Energy: 0.5403110208150292
Energy: 0.4827000236395607
Energy: 0.5532018096901278
Energy: 0.48270002363889936
Energy: 0.5532018096901278
Energy: 0.482700023638238
Energy: 0.5532018096894665
Energy: 0.5855936926821022
Energy: 0.47211624619353415
Energy: 0.5855936926827634
Energy: 0.47211624619353415
Energy: 0.5855936926821022
Energy: 0.47211624619353415
Energy: 0.553963416557146
Energy: 0.5018197160167035
Energy: 0.5539634165591301
Energy: 0.5018197160167035
Energy: 0.5539634165584687
Energy: 0.5018197160167035
Energy: 0.4825302220835783
Energy: 0.5348609377170399
Energy: 0.4825302220862236
Energy: 0.5348609377150557
Energy: 0.482530222084901
Energy: 0.5348609377157172
Energy: 0.5170714646740492
Energy: 0.5192268588901117
Energy: 0.5170714646747105
Energy: 0.519232441399012
Energy: 0.5170714646548704
Energy: 0.5192298748997276
Energy: 0.5116381153378678
Energy: 0.5028029720000154
Energy: 0.5116381153378678
Energy: 0.5028029720000154
Energy: 0.5116381153391906
Energy: 0.5028029719993541
Energy: 0.5161993743575622
Energy: 0.5150021510658804
Energy: 0.516199374358885
Energy: 0.5150021510652192
Energy: 0.5161993743575622
Energy: 0.5150021510652192
Energy: 0.4815638074075367
Energy: 0.5322235494731781
Energy: 0.4815638074101821
Energy: 0.5322235494738394
Energy: 0.4815638074101821
Energy: 0.5322235494718554
Energy: 0.5327606849990886
Energy: 0.4822777065079849
Energy: 0.5327606849984273
Energy: 0.4822777065079849
Energy: 0.5327606849990886
Energy: 0.4822777065079849
Energy: 0.5127927596460647
Energy: 0.5798175105732074
Energy: 0.5127927596473875
Energy: 0.5798175105732074
Energy: 0.5127927596467261
Energy: 0.5798175105732074
Energy: 0.4828640688198756
Energy: 0.5369300163603783
Energy: 0.48286406882318234
Energy: 0.5369300163603783
Energy: 0.4828640688198756
Energy: 0.5369300163603783
Energy: 0.5605756933812772
Energy: 0.5030483711936635
Energy: 0.5605756933766479
Energy: 0.5030483711936635
Energy: 0.5605756933799546
Energy: 0.5030483711936635
Energy: 0.5114684311388268
Energy: 0.51444761157069
Energy: 0.5114684311401495
Energy: 0.514447611572674
Energy: 0.5114684311368428
Energy: 0.5144476115720127
Energy: 0.5191907105177306
Energy: 0.5800337127288857
Energy: 0.5191907105144239
Energy: 0.5800337127288857
Energy: 0.5191907105157465
Energy: 0.5800337127288857
Energy: 0.5451240871368742
Energy: 0.502559078197841
Energy: 0.5451240871408423
Energy: 0.5025590781985023
Energy: 0.5451240871375356
Energy: 0.5025590781971796
Energy: 0.49208902812268773
Energy: 0.5498277839422764
Energy: 0.492089028119381
Energy: 0.549827783941615
Energy: 0.492089028121365
Energy: 0.5498277839422764
Energy: 0.49475081101734225
Energy: 0.552446708207709
Energy: 0.49475081101337426
Energy: 0.552446708207709
Energy: 0.49475081101866497
Energy: 0.5524467082083705
Energy: 0.5516465576008622
Energy: 0.65920355133139
Energy: 0.551646557598878
Energy: 0.65920355133139
Energy: 0.5516465576008622
Energy: 0.65920355133139
Energy: 0.49422669798475705
Energy: 0.6049902442950257
Energy: 0.4942266979854183
Energy: 0.6049902442963485
Energy: 0.4942266979854183
Energy: 0.6049902442956872
Energy: 0.5199964914411274
Energy: 0.5369052864009555
Energy: 0.5199964914391433
Energy: 0.5369052864016168
Energy: 0.5199964914411274
Energy: 0.5369052864009555
Energy: 0.5309196621723188
Energy: 0.5445413008335843
Energy: 0.5309196621716574
Energy: 0.544541300832923
Energy: 0.5309196621709962
Energy: 0.5445413008335843
Energy: 0.5212006817094698
Energy: 0.6472893823902734
Energy: 0.521200678026182
Energy: 0.6472893823902734
Energy: 0.5212006746178302
Energy: 0.6472893823902734
Energy: 0.5104044551683734
Energy: 0.5367463279137578
Energy: 0.5104044551670506
Energy: 0.5367463279130964
Energy: 0.5104044551683734
Energy: 0.5367463279130964
Energy: 0.49105640741521833
Energy: 0.6032004277468448
Energy: 0.49105640741521833
Energy: 0.6032004277461834
Energy: 0.49105640741720225
Energy: 0.6032004277468448

minimum gb energy = 0.47211624619353415 eV
minimum distance =  2.33028622062941 Angstroms
sigma value = 43


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

Energy: 0.4798888259905432
Energy: 0.4501189328682763
Energy: 0.4798888259886158
Energy: 0.4501189328682763
Energy: 0.47988882598524285
Energy: 0.45011893286875815
Energy: 0.5115142637690211
Energy: 0.44912809340859333
Energy: 0.5115142637699849
Energy: 0.44912809340811144
Energy: 0.5115142637695029
Energy: 0.44912809340811144
Energy: 0.5085959221819202
Energy: 0.48361418965136266
Energy: 0.5085959221852934
Energy: 0.48361418965088077
Energy: 0.5085959221833659
Energy: 0.4836141896518445
Energy: 0.4493857793387892
Energy: 0.47178251484981854
Energy: 0.4493857793378255
Energy: 0.4717825148488548
Energy: 0.44938577933830737
Energy: 0.47178251485126405
Energy: 0.49075106346403347
Energy: 0.4156151980665582
Energy: 0.49075106346258784
Energy: 0.41561519806607633
Energy: 0.49075106346451525
Energy: 0.4156151980665582
Energy: 0.47335829995116935
Energy: 0.4387226580539874
Energy: 0.4733582999497238
Energy: 0.4387226580539874
Energy: 0.47335829994924195
Energy: 0.4387226580535055
Energy: 0.450332308031706
Energy: 0.4600367402278016
Energy: 0.4503323080292967
Energy: 0.4600367402278016
Energy: 0.4503323080302604
Energy: 0.4600367402278016
Energy: 0.5141111157644321
Energy: 0.40727273078300225
Energy: 0.5141111157648701
Energy: 0.4072727307825204
Energy: 0.5141111157648701
Energy: 0.40727273078300225
Energy: 0.45699954015255567
Energy: 0.4365654966922716
Energy: 0.45699954015400124
Energy: 0.4365654966927535
Energy: 0.45699954015351935
Energy: 0.4365654966922716
Energy: 0.49197351154160607
Energy: 0.44749276681142547
Energy: 0.49197351154160607
Energy: 0.4474927668119073
Energy: 0.4919735115425698
Energy: 0.4474927668119073
Energy: 0.5300142043484357
Energy: 0.45288921466766585
Energy: 0.5300142043493994
Energy: 0.4528892146695932
Energy: 0.5300142043479539
Energy: 0.4528892146681477
Energy: 0.4315872366560635
Energy: 0.4369894039933057
Energy: 0.4315872366565454
Energy: 0.4369894039937876
Energy: 0.4315872366565454
Energy: 0.43698940399426944
Energy: 0.49137915453777037
Energy: 0.42941787026086486
Energy: 0.4913791545382522
Energy: 0.42941787026086486
Energy: 0.4913791545382522
Energy: 0.42941787026086486
Energy: 0.5349346046921775
Energy: 0.47840023447271385
Energy: 0.5349346046926594
Energy: 0.47840023447223196
Energy: 0.5349346046926594
Energy: 0.47840023447078645
Energy: 0.4455280021910225
Energy: 0.47984647806294317
Energy: 0.4455280021934317
Energy: 0.47984647806294317
Energy: 0.44552800219246813
Energy: 0.47984647806342495
Energy: 0.49496244390088595
Energy: 0.47546998516060834
Energy: 0.4949624438999222
Energy: 0.47546998516060834
Energy: 0.4949624438994403
Energy: 0.47546998516060834
Energy: 0.5322659858588016
Energy: 0.4758167309461329
Energy: 0.5322659858583196
Energy: 0.47581673094565113
Energy: 0.5322659858588016
Energy: 0.4758167309461329
Energy: 0.4603214071586935
Energy: 0.43176598728820265
Energy: 0.4603214071582116
Energy: 0.4317659872891663
Energy: 0.4603214071582116
Energy: 0.43176598728820265
Energy: 0.4218507121202749
Energy: 0.4986541982851567
Energy: 0.4218507121207568
Energy: 0.4986541982851567
Energy: 0.42185071212123865
Energy: 0.4986541982851567
Energy: 0.43753337559954925
Energy: 0.4789958300906422
Energy: 0.4375333755985855
Energy: 0.47899583009256963
Energy: 0.4375333756005129
Energy: 0.4789958300920877
Energy: 0.4861806828416606
Energy: 0.43937538544077914
Energy: 0.48618068284117866
Energy: 0.43937538544077914
Energy: 0.48618068284021493
Energy: 0.4393753854412609
Energy: 0.45208914015476803
Energy: 0.489697550397273
Energy: 0.45208914015428614
Energy: 0.489697550397273
Energy: 0.45208914015428614
Energy: 0.489697550397273
Energy: 0.4532934888816438
Energy: 0.4917113513341933
Energy: 0.45329348888116205
Energy: 0.4917113513337115
Energy: 0.4532934888816438
Energy: 0.4917113513337115
Energy: 0.47014716354256375
Energy: 0.43811131644771834
Energy: 0.4701471635420819
Energy: 0.43811131644820017
Energy: 0.47014716354256375
Energy: 0.43811131644771834
Energy: 0.42067537065030547
Energy: 0.436308180715349
Energy: 0.4206753706498235
Energy: 0.4363081807158308
Energy: 0.42067537065078725
Energy: 0.436308180715349
Energy: 0.43022039769561027
Energy: 0.4791300223768852
Energy: 0.43022039769753767
Energy: 0.4791300223764033
Energy: 0.43022039769561027
Energy: 0.4791300223768852
Energy: 0.47441961863301835
Energy: 0.4310965432146761
Energy: 0.47441961863301835
Energy: 0.4310965432151579
Energy: 0.47441961863350013
Energy: 0.4310965432151579
Energy: 0.40311976364167734
Energy: 0.4834022668446384
Energy: 0.4031197636411955
Energy: 0.4834022668441566
Energy: 0.40311976364167734
Energy: 0.4834022668446384
Energy: 0.4310755722512517
Energy: 0.4548004701584673
Energy: 0.4310755722517336
Energy: 0.4548004701584673
Energy: 0.4310755722507699
Energy: 0.45480047015894914
Energy: 0.4418588319362168
Energy: 0.43637556668153504
Energy: 0.44185883193477127
Energy: 0.43637556668105326
Energy: 0.44185883193428943
Energy: 0.43637556668153504
Energy: 0.4066694227944406
Energy: 0.4838406198315028
Energy: 0.460325227273819
Energy: 0.48384061983053905
Energy: 0.4066694227944406
Energy: 0.4838406198310209
Energy: 0.4319333379267664
Energy: 0.4472006753535122
Energy: 0.4319333379272483
Energy: 0.44720067535399405
Energy: 0.43193333792773014
Energy: 0.44720067535399405
Energy: 0.42869078897138
Energy: 0.4368998273932215
Energy: 0.4286907889704163
Energy: 0.4368998273932215
Energy: 0.42869078897138
Energy: 0.43689982739370326
Energy: 0.5310530576402567
Energy: 0.47923021231364177
Energy: 0.5310530576397748
Energy: 0.47923021231364177
Energy: 0.5310530576397748
Energy: 0.47923021231171437
Energy: 0.4463672066205609
Energy: 0.43212591812814866
Energy: 0.4463672066205609
Energy: 0.43212591812814866
Energy: 0.4463672066205609
Energy: 0.43212591812814866
Energy: 0.40050722042504855
Energy: 0.48272915607032146
Energy: 0.4005072204264941
Energy: 0.4827291560698395
Energy: 0.4005072204264941
Energy: 0.4827291560698395

minimum gb energy = 0.40050722042504855 eV
minimum distance =  2.3312068560856 Angstroms
sigma value = 81


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

Energy: 0.029065176680634085
Energy: 0.058329502711846636
Energy: 0.029065176682404534
Energy: 0.058329502711846636
Energy: 0.029065176680634085
Energy: 0.058329502711846636
Energy: 0.31503924846379
Energy: 0.030910807399256484
Energy: 0.31503924846379
Energy: 0.03091080740102693
Energy: 0.31503924846379
Energy: 0.030910807399256484
Energy: 0.31507556438564716
Energy: 0.03220430194417719
Energy: 0.31507556438564716
Energy: 0.03220430194063631
Energy: 0.31507556438564716
Energy: 0.03220430194063631
Energy: 0.029065176680634085
Energy: 0.058329502713617074
Energy: 0.029065176680634085
Energy: 0.058329502711846636
Energy: 0.029065176680634085
Energy: 0.058329502713617074
Energy: 0.31503924846379
Energy: 0.030910807395715605
Energy: 0.3150392484655605
Energy: 0.03091080740102693
Energy: 0.3150392484655605
Energy: 0.030910807399256484
Energy: 0.31507556438564716
Energy: 0.03220430194771808
Energy: 0.31507556438564716
Energy: 0.03220430194771808
Energy: 0.31507556438564716
Energy: 0.0322043019494684
Energy: 0.029065176680634085
Energy: 0.058329502711846636
Energy: 0.029065176682404534
Energy: 0.058329502711846636
Energy: 0.029065176680634085
Energy: 0.058329502711846636
Energy: 0.31503924846379
Energy: 0.030910807395715605
Energy: 0.31503924846379
Energy: 0.03091080739394516
Energy: 0.31503924846379
Energy: 0.03091080739394516
Energy: 0.31507556438564716
Energy: 0.03220430194594764
Energy: 0.31507556438564716
Energy: 0.0322043019494684
Energy: 0.31507556438564716
Energy: 0.03220430194771808
Energy: 0.029065176680634085
Energy: 0.058329502713617074
Energy: 0.029065176680634085
Energy: 0.058329502713617074
Energy: 0.029065176680634085
Energy: 0.058329502711846636

minimum gb energy = 0.029065176680634085 eV
minimum distance =  2.53054883841359 Angstroms
sigma value = 3


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

Energy: 0.4271891097259526
Energy: 0.39357471766810415
Energy: 0.4271891097259526
Energy: 0.39357471766757435
Energy: 0.42718910972489305
Energy: 0.39357471766810415
Energy: 0.40202458184616313
Energy: 0.40393106640335774
Energy: 0.402024581849342
Energy: 0.40393106640335774
Energy: 0.40202458184669293
Energy: 0.40393106640335774
Energy: 0.4255964264286319
Energy: 0.4029094761473948
Energy: 0.4255964264275722
Energy: 0.4029094761479246
Energy: 0.4255964264286319
Energy: 0.4029094761473948
Energy: 0.41666209297726836
Energy: 0.3848890095951071
Energy: 0.4166620929767386
Energy: 0.3848890095951071
Energy: 0.41666209297779816
Energy: 0.3848890095951071
Energy: 0.35071191551694947
Energy: 0.4045050874879884
Energy: 0.35071191551694947
Energy: 0.4045050874879884
Energy: 0.3507119155174793
Energy: 0.4045050874879884
Energy: 0.4201565183720763
Energy: 0.4201683194298296
Energy: 0.4201565183720763
Energy: 0.4201683194298296
Energy: 0.42015651837101664
Energy: 0.4201683194298296
Energy: 0.42606622068999
Energy: 0.3948548822951938
Energy: 0.42606622069051986
Energy: 0.3948548822951938
Energy: 0.42606622069051986
Energy: 0.3948548822951938
Energy: 0.3492660292885301
Energy: 0.4047815997027482
Energy: 0.3492660292880003
Energy: 0.4047815997022184
Energy: 0.34926602928747047
Energy: 0.4047815997022184
Energy: 0.42794459397489987
Energy: 0.42984232560827756
Energy: 0.4279445939738402
Energy: 0.42984232560827756
Energy: 0.42794459397437007
Energy: 0.42984232560827756
Energy: 0.3877065814426458
Energy: 0.3872741502121918
Energy: 0.3877065814431756
Energy: 0.3872741502121918
Energy: 0.3877065814431756
Energy: 0.387274150211662
Energy: 0.37228735716758676
Energy: 0.3921571463994822
Energy: 0.3722873571665271
Energy: 0.3921571464010716
Energy: 0.3722873571665271
Energy: 0.3921571463994822
Energy: 0.44025665193192975
Energy: 0.44731405095018706
Energy: 0.4402566519308701
Energy: 0.44731405095018706
Energy: 0.44025665193192975
Energy: 0.4473140509496572
Energy: 0.4172944465593867
Energy: 0.36567234582629016
Energy: 0.4172944465593867
Energy: 0.36567234582629016
Energy: 0.41729444655885684
Energy: 0.36567234582629016
Energy: 0.39223450770129575
Energy: 0.4391465397859224
Energy: 0.3922345077002361
Energy: 0.43914653978645213
Energy: 0.39223450770076596
Energy: 0.43914653978645213
Energy: 0.4231972791336881
Energy: 0.4348880058100253
Energy: 0.42319727913474775
Energy: 0.43488800581055514
Energy: 0.4231972791331583
Energy: 0.43488800581055514
Energy: 0.4165027610873779
Energy: 0.3540146684095714
Energy: 0.41650276108843753
Energy: 0.3540146684101012
Energy: 0.41650276108790774
Energy: 0.3540146684095714
Energy: 0.3211271220359686
Energy: 0.4432142796189119
Energy: 0.32112712204338584
Energy: 0.4432142796189119
Energy: 0.3211271220444455
Energy: 0.4432142796194417
Energy: 0.4035647902497
Energy: 0.41275514751287984
Energy: 0.40356479025022984
Energy: 0.41275514751235
Energy: 0.40356479025022984
Energy: 0.41275514751287984
Energy: 0.41682079862694926
Energy: 0.3502635694433099
Energy: 0.416820798627479
Energy: 0.3502635694433099
Energy: 0.416820798627479
Energy: 0.35026356944278003
Energy: 0.4084916548919879
Energy: 0.42386467535404965
Energy: 0.4084916548909283
Energy: 0.4238646753551092
Energy: 0.4084916548919879
Energy: 0.4238646753545794
Energy: 0.40416217825686035
Energy: 0.3994923148878274
Energy: 0.40416217825686035
Energy: 0.3994923148883572
Energy: 0.4041621782563305
Energy: 0.3994923148878274
Energy: 0.4032857598426852
Energy: 0.40133115536324976
Energy: 0.4032857598421555
Energy: 0.40133115536324976
Energy: 0.4032857598416257
Energy: 0.40133115536324976
Energy: 0.40740959337457394
Energy: 0.40989190152714555
Energy: 0.4074095933756336
Energy: 0.40989190152714555
Energy: 0.4074095933756336
Energy: 0.40989190152714555
Energy: 0.41265750541066337
Energy: 0.3407903726929063
Energy: 0.41265750541066337
Energy: 0.3407903726934361
Energy: 0.41265750541066337
Energy: 0.3407903726929063
Energy: 0.4176741377341835
Energy: 0.42087537235025685
Energy: 0.41767413773471335
Energy: 0.42087537235025685
Energy: 0.4176741377341835
Energy: 0.42087537235025685
Energy: 0.4038140351022223
Energy: 0.41962524925220107
Energy: 0.4038140351022223
Energy: 0.4196252492527308
Energy: 0.4038140351022223
Energy: 0.4196252492527308
Energy: 0.42311871055131767
Energy: 0.34081509200587873
Energy: 0.42311871055237726
Energy: 0.34081509200587873
Energy: 0.42311871055131767
Energy: 0.34081509200587873
Energy: 0.4241496313147986
Energy: 0.4366953416075906
Energy: 0.4241496313132092
Energy: 0.43669534160706075
Energy: 0.424149631313739
Energy: 0.4366953416075906
Energy: 0.40075042785199183
Energy: 0.39970075055670473
Energy: 0.4007504278541111
Energy: 0.39970075055670473
Energy: 0.4007504278525217
Energy: 0.39970075055670473
Energy: 0.4254493293049348
Energy: 0.3670401969081868
Energy: 0.4254493293049348
Energy: 0.36704019690871664
Energy: 0.4254493293065242
Energy: 0.36704019690871664
Energy: 0.44276172106358613
Energy: 0.4272838238129521
Energy: 0.4427617210630563
Energy: 0.4272838238129521
Energy: 0.4427617210630563
Energy: 0.4272838238129521
Energy: 0.38145195267952003
Energy: 0.41974772405369826
Energy: 0.3814519526784604
Energy: 0.4197477240531685
Energy: 0.38145195268004983
Energy: 0.41974772405369826
Energy: 0.4455058029789446
Energy: 0.4079389580799336
Energy: 0.44550580297788506
Energy: 0.40793895807942787
Energy: 0.44550580297841486
Energy: 0.4079389580799336

minimum gb energy = 0.3211271220359686 eV
minimum distance =  2.39366001973454 Angstroms
sigma value = 67


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

Energy: 0.5423613227012468
Energy: 0.5404175607701691
Energy: 0.5423613227020017
Energy: 0.5404175607694142
Energy: 0.5423613227020017
Energy: 0.5404175607701691
Energy: 0.5051414199884913
Energy: 0.5156414163368299
Energy: 0.5051414199892462
Energy: 0.5156414163368299
Energy: 0.505141419991511
Energy: 0.5156414163368299
Energy: 0.5391192515552146
Energy: 0.532008636273951
Energy: 0.5391192515552146
Energy: 0.532008636273196
Energy: 0.5391192515559694
Energy: 0.532008636273196
Energy: 0.5383342581514626
Energy: 0.5133583048968738
Energy: 0.5383342581522176
Energy: 0.5133583048976287
Energy: 0.5383342581507077
Energy: 0.5133583048976287
Energy: 0.4587318131503879
Energy: 0.494349135580753
Energy: 0.45873181314887806
Energy: 0.49434913558150795
Energy: 0.45873181315114275
Energy: 0.49434913558150795
Energy: 0.5378422056230141
Energy: 0.5372483295979363
Energy: 0.5378422056230141
Energy: 0.5372483295979363
Energy: 0.537842205623769
Energy: 0.5372483295979363
Energy: 0.49293260317565846
Energy: 0.49628300586621743
Energy: 0.4929326031741486
Energy: 0.49628300586697227
Energy: 0.4929326031741486
Energy: 0.49628300586621743
Energy: 0.484901217497135
Energy: 0.49596728068929996
Energy: 0.4849012175016646
Energy: 0.49596728068929996
Energy: 0.48490121750090964
Energy: 0.49596728068929996
Energy: 0.5528794417398663
Energy: 0.5621708567260694
Energy: 0.5528794417398663
Energy: 0.5621708567253145
Energy: 0.552879441740621
Energy: 0.5621708567253145
Energy: 0.5357265188533773
Energy: 0.469039124375081
Energy: 0.5357265188533773
Energy: 0.469039124375081
Energy: 0.5357265188526225
Energy: 0.469039124375081
Energy: 0.5085583897404404
Energy: 0.5389441998335075
Energy: 0.5085583897404404
Energy: 0.5389441998335075
Energy: 0.5085583897396855
Energy: 0.5389441998335075
Energy: 0.5021915804290932
Energy: 0.5244760468959613
Energy: 0.5021915804283383
Energy: 0.5244760468959613
Energy: 0.5021915804290932
Energy: 0.5244760468952064
Energy: 0.5302122817464446
Energy: 0.5048380644193662
Energy: 0.5302122817464446
Energy: 0.5048380644193662
Energy: 0.5302122817464446
Energy: 0.5048380644193662
Energy: 0.49757351459243776
Energy: 0.5359089144737208
Energy: 0.49757351459092797
Energy: 0.5359089144744758
Energy: 0.49757351459243776
Energy: 0.5359089144744758
Energy: 0.4955262409967924
Energy: 0.49752796761993257
Energy: 0.4955262409967924
Energy: 0.4975279676206875
Energy: 0.4955262409967924
Energy: 0.49752796761993257
Energy: 0.4941423328401291
Energy: 0.5130234675039234
Energy: 0.49414233284088405
Energy: 0.5130234675039234
Energy: 0.4941423328401291
Energy: 0.5130234675039234
Energy: 0.515891540330449
Energy: 0.5362335723650938
Energy: 0.5158915403296942
Energy: 0.536233572364339
Energy: 0.515891540330449
Energy: 0.536233572364339
Energy: 0.5021254608994269
Energy: 0.49549456915846124
Energy: 0.5021254608964072
Energy: 0.49549456915846124
Energy: 0.5021254608986718
Energy: 0.49549456915846124
Energy: 0.5344321369474699
Energy: 0.5400527486435208
Energy: 0.5344321369467149
Energy: 0.5400527486427659
Energy: 0.5344321369467149
Energy: 0.5400527486435208
Energy: 0.4542846460127369
Energy: 0.5383554685545219
Energy: 0.45428464601349183
Energy: 0.5383554685545219
Energy: 0.45428464601424673
Energy: 0.5383554685537669
Energy: 0.5463757738203161
Energy: 0.4703497284703365
Energy: 0.5463757738203161
Energy: 0.47034972847109147
Energy: 0.546375773821826
Energy: 0.47034972847109147
Energy: 0.5536224135893174
Energy: 0.5634195711693853
Energy: 0.5536224135885626
Energy: 0.5634195711693853
Energy: 0.5536224135893174
Energy: 0.5634195711693853
Energy: 0.477895467557476
Energy: 0.5269332495378087
Energy: 0.477895467556721
Energy: 0.5269332495378087
Energy: 0.477895467557476
Energy: 0.5269332495378087

minimum gb energy = 0.4542846460127369 eV
minimum distance =  2.39923314857031 Angstroms
sigma value = 33


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

Energy: 0.6128007594500119
Energy: 0.5473447099732169
Energy: 0.6128007594504907
Energy: 0.5473447099732169
Energy: 0.6128007594490542
Energy: 0.5473447099732169
Energy: 0.5677423545914747
Energy: 0.5995166213009977
Energy: 0.5677423545914747
Energy: 0.5995166213014766
Energy: 0.5677423545914747
Energy: 0.5995166213009977
Energy: 0.5967567607518403
Energy: 0.59896605065798
Energy: 0.5967567607518403
Energy: 0.598966050658459
Energy: 0.5967567607513613
Energy: 0.598966050658459
Energy: 0.610393195399677
Energy: 0.5919206492347251
Energy: 0.6103931954001559
Energy: 0.5919206492347251
Energy: 0.6103931954006349
Energy: 0.5919206492347251
Energy: 0.5510137577397249
Energy: 0.5760245748640577
Energy: 0.5510137577378094
Energy: 0.5760245748645365
Energy: 0.551013757739246
Energy: 0.5760245748645365
Energy: 0.6357696499104379
Energy: 0.6322756578471806
Energy: 0.6357696499099591
Energy: 0.6322756578476596
Energy: 0.6357696499094802
Energy: 0.6322756578471806
Energy: 0.5636078256238737
Energy: 0.5568382779915764
Energy: 0.563607825622916
Energy: 0.5568382779915764
Energy: 0.563607825622916
Energy: 0.5568382779915764
Energy: 0.574508551708747
Energy: 0.6170744537202227
Energy: 0.5745085517101839
Energy: 0.6170744537197439
Energy: 0.5745085517092261
Energy: 0.6170744537202227
Energy: 0.6077318886167687
Energy: 0.6131980086402531
Energy: 0.6077318886186843
Energy: 0.6131980086402531
Energy: 0.6077318886182054
Energy: 0.613198008640732
Energy: 0.5996161988069997
Energy: 0.6027555375370602
Energy: 0.5996161988074784
Energy: 0.6027555375375392
Energy: 0.5996161988069997
Energy: 0.5872786131735803
Energy: 0.6197016667638963
Energy: 0.600691104798461
Energy: 0.6197016667634173
Energy: 0.600691104798461
Energy: 0.6197016667629384
Energy: 0.600691104798461
Energy: 0.5649110817866847
Energy: 0.5757438327853801
Energy: 0.5649110817862059
Energy: 0.5757438327849013
Energy: 0.5649110817871635
Energy: 0.5757438327849013
Energy: 0.610097824624909
Energy: 0.568341355875649
Energy: 0.6100978246253879
Energy: 0.568341355875649
Energy: 0.610097824623951
Energy: 0.568341355875649
Energy: 0.5775285456062755
Energy: 0.59732860882063
Energy: 0.5775285456062755
Energy: 0.59732860882063
Energy: 0.5775285456053176
Energy: 0.59732860882063
Energy: 0.5720805765391809
Energy: 0.5747046921326077
Energy: 0.5720805765391809
Energy: 0.5747046921330866
Energy: 0.5720805765396598
Energy: 0.5747046921326077
Energy: 0.6107059127220258
Energy: 0.6062392753545288
Energy: 0.6107059127215468
Energy: 0.6062392753550075
Energy: 0.6107059127225046
Energy: 0.6062392753545288
Energy: 0.5516854722393418
Energy: 0.5982923025994367
Energy: 0.5516854722412574
Energy: 0.5982923025999155
Energy: 0.5516854722388629
Energy: 0.5982923025994367
Energy: 0.6079230817401948
Energy: 0.6055979354287666
Energy: 0.6079230817406738
Energy: 0.6055979354287666
Energy: 0.6079230817401948
Energy: 0.6055979354287666
Energy: 0.5635130676964235
Energy: 0.5639246275727487
Energy: 0.5635130676959447
Energy: 0.5639246275717911
Energy: 0.5635130676954658
Energy: 0.5639246275732277
Energy: 0.5745271257265298
Energy: 0.5992896743486484
Energy: 0.5745271257274877
Energy: 0.5992896743486484
Energy: 0.5745271257270087
Energy: 0.5992896743486484
Energy: 0.6040847083805397
Energy: 0.6030996092040022
Energy: 0.6040847083800608
Energy: 0.6030996092035232
Energy: 0.6040847083805397
Energy: 0.6030996092030443
Energy: 0.5720316561861061
Energy: 0.5274462458157017
Energy: 0.5720316561856271
Energy: 0.5274462458157017
Energy: 0.5720316561870639
Energy: 0.5274462458152228
Energy: 0.601238188948449
Energy: 0.6007414765867937
Energy: 0.6012381889479701
Energy: 0.6007414765867937
Energy: 0.6012381889479701
Energy: 0.6007414765867937
Energy: 0.5997038206466729
Energy: 0.5737426587966172
Energy: 0.5997038206466729
Energy: 0.5737426587966172
Energy: 0.5997038206476307
Energy: 0.5737426587966172
Energy: 0.5657820611442376
Energy: 0.5822887598863403
Energy: 0.5657820611428007
Energy: 0.5822887598863403
Energy: 0.5657820611432797
Energy: 0.5822887598863403
Energy: 0.601775808749517
Energy: 0.6041028662610832
Energy: 0.601775808749038
Energy: 0.6041028662620411
Energy: 0.6017758087504749
Energy: 0.6041028662610832
Energy: 0.5637237188707052
Energy: 0.5740266939080144
Energy: 0.5637237188707052
Energy: 0.5740266939080144
Energy: 0.5637237188702262
Energy: 0.5740266939075356
Energy: 0.6058158198541068
Energy: 0.6443406678164558
Energy: 0.6058158198541068
Energy: 0.6443406678164558
Energy: 0.6058158198560225
Energy: 0.6443406678164558
Energy: 0.5735842339649759
Energy: 0.5763212839546111
Energy: 0.5735842339649759
Energy: 0.5763212839546111
Energy: 0.5735842339654548
Energy: 0.5763212839550901
Energy: 0.5588472392377112
Energy: 0.5564478683775885
Energy: 0.5588472392438933
Energy: 0.5564478683775885
Energy: 0.5588472392424567
Energy: 0.5564478683771096
Energy: 0.6449959043166613
Energy: 0.631700767000969
Energy: 0.6449959043147456
Energy: 0.6317007670000112
Energy: 0.6449959043161824
Energy: 0.6317007670004902
Energy: 0.5501153592661092
Energy: 0.5992807607497853
Energy: 0.550115359267067
Energy: 0.5992807607493064
Energy: 0.5501153592656304
Energy: 0.5992807607493064
Energy: 0.6044354473673369
Energy: 0.5850196813903861
Energy: 0.604435447366858
Energy: 0.5850196813899071
Energy: 0.6044354473687735
Energy: 0.5850196813903861
Energy: 0.572413286777739
Energy: 0.5993208591350437
Energy: 0.572413286775388
Energy: 0.5993208591350437
Energy: 0.5724132867772601
Energy: 0.5993208591350437
Energy: 0.5735369415797086
Energy: 0.5969565378341517
Energy: 0.5735369415782718
Energy: 0.5969565378341517
Energy: 0.5735369415797086
Energy: 0.5969565378336729
Energy: 0.6063708965999519
Energy: 0.5718029850327463
Energy: 0.6063708965985153
Energy: 0.5718029850327463
Energy: 0.6063708966018676
Energy: 0.5718029850327463
Energy: 0.5623880798548634
Energy: 0.566705936454737
Energy: 0.5623880798553423
Energy: 0.566705936454258
Energy: 0.5623880798548634
Energy: 0.566705936454258

minimum gb energy = 0.5274462458152228 eV
minimum distance =  2.37840390363307 Angstroms
sigma value = 41


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

Energy: 0.7207625313286158
Energy: 0.7151936690098964
Energy: 0.7207625313286158
Energy: 0.7151936690085889
Energy: 0.7207625313286158
Energy: 0.7151936690098964
Energy: 0.6817542576461579
Energy: 0.7033120433936915
Energy: 0.6817542576474654
Energy: 0.703312043392384
Energy: 0.6817542576461579
Energy: 0.7033120433936915
Energy: 0.7740876942839499
Energy: 0.7011564023058939
Energy: 0.7740876942839499
Energy: 0.7011564023058939
Energy: 0.7360925083068143
Energy: 0.7011564023058939
Energy: 0.717510284377496
Energy: 0.7013927833258418
Energy: 0.717510284377496
Energy: 0.7013927833258418
Energy: 0.717510284377496
Energy: 0.7013927833258418
Energy: 0.6694193708232602
Energy: 0.7151795325966956
Energy: 0.6694193708245678
Energy: 0.7151795325966956
Energy: 0.6694193708232602
Energy: 0.7151795325966956
Energy: 0.7376504401601615
Energy: 0.7360640343235018
Energy: 0.737650440158854
Energy: 0.7360640343235018
Energy: 0.737650440158854
Energy: 0.7360640343235018
Energy: 0.705800935805987
Energy: 0.6817390430505366
Energy: 0.7058009358046794
Energy: 0.6817390430505366
Energy: 0.705800935805987
Energy: 0.6817390430505366
Energy: 0.6988815243788933
Energy: 0.704303896033295
Energy: 0.6988815243788933
Energy: 0.704303896033295
Energy: 0.6988815243775857
Energy: 0.704303896033295
Energy: 0.681643746827107
Energy: 0.6825388384851606
Energy: 0.681643746827107
Energy: 0.6825388384851606
Energy: 0.6816437468284146
Energy: 0.6825388384851606
Energy: 0.7072304044332051
Energy: 0.6957485127822449
Energy: 0.7072304044345126
Energy: 0.6957485127809374
Energy: 0.7072304044318976
Energy: 0.6957485127809374
Energy: 0.6802199951417057
Energy: 0.701417003712582
Energy: 0.6802199951403983
Energy: 0.701417003712582
Energy: 0.6802199951403983
Energy: 0.701417003712582
Energy: 0.6951202746852296
Energy: 0.7035854328300598
Energy: 0.6951202746852296
Energy: 0.7035854328300598
Energy: 0.6951202746852296
Energy: 0.7035854328300598
Energy: 0.7125521416235018
Energy: 0.7227335525205726
Energy: 0.7125521416221943
Energy: 0.7227335525205726
Energy: 0.7125521416235018
Energy: 0.7227335525205726
Energy: 0.667635632623593
Energy: 0.704556627159103
Energy: 0.6676356326249006
Energy: 0.704556627159103
Energy: 0.6676356326222854
Energy: 0.704556627159103

minimum gb energy = 0.6676356326222854 eV
minimum distance =  2.35732596768244 Angstroms
sigma value = 11


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

Energy: 0.8253211357941531
Energy: 0.8039552238572848
Energy: 0.8253211357953019
Energy: 0.8039552238572848
Energy: 0.8253211357953019
Energy: 0.8039552238572848
Energy: 0.7641300552143911
Energy: 0.7868134390680035
Energy: 0.7641300552155401
Energy: 0.786813439068578
Energy: 0.7641300552155401
Energy: 0.7868134390680035
Energy: 0.825052605249561
Energy: 0.7807896787618263
Energy: 0.825052605249561
Energy: 0.7807896787618263
Energy: 0.825052605249561
Energy: 0.7807896787618263
Energy: 0.7844667211566595
Energy: 0.7796405795610915
Energy: 0.7844667211560851
Energy: 0.7796405795610915
Energy: 0.784466721157234
Energy: 0.7796405795610915
Energy: 0.808074244164966
Energy: 0.7857541587256897
Energy: 0.808074244164966
Energy: 0.785754158726264
Energy: 0.808074244163817
Energy: 0.7857541587256897
Energy: 0.7838744895829385
Energy: 0.7914817112555916
Energy: 0.7838744895823639
Energy: 0.7914817112555916
Energy: 0.7838744895829385
Energy: 0.7914817112555916
Energy: 0.7860777237358473
Energy: 0.7814520097861483
Energy: 0.7860777237375705
Energy: 0.7814520097861483
Energy: 0.7860777237358473
Energy: 0.7814520097861483
Energy: 0.7808915527236142
Energy: 0.7855654187881075
Energy: 0.7808915527241886
Energy: 0.785565418787533
Energy: 0.7808915527230398
Energy: 0.7855654187881075
Energy: 0.7839086360925214
Energy: 0.7866173247953334
Energy: 0.7839086360919469
Energy: 0.7866173247953334
Energy: 0.7839086360925214
Energy: 0.7866173247953334
Energy: 0.7776506963938069
Energy: 0.796142043296146
Energy: 0.7776506963938069
Energy: 0.796142043296146
Energy: 0.7776506963932325
Energy: 0.796142043296146
Energy: 0.7792592942997912
Energy: 0.7886741012483723
Energy: 0.7792592942997912
Energy: 0.7886741012495212
Energy: 0.7792592942992168
Energy: 0.7886741012495212
Energy: 0.8059544807380877
Energy: 0.7959690825783933
Energy: 0.8059544807380877
Energy: 0.7959690825783933
Energy: 0.8059544807386619
Energy: 0.7959690825783933
Energy: 0.7840297219890301
Energy: 0.7906021324045018
Energy: 0.7840297219890301
Energy: 0.7906021324045018
Energy: 0.7840297219890301
Energy: 0.7906021324045018
Energy: 0.8127722400912026
Energy: 0.7668077231670672
Energy: 0.8127722400906282
Energy: 0.7668077231676416
Energy: 0.8127722400912026
Energy: 0.7668077231670672
Energy: 0.7688126086528274
Energy: 0.7708155800945958
Energy: 0.7688126086539762
Energy: 0.7708155800940215
Energy: 0.7797479128681621
Energy: 0.7708155800940215
Energy: 0.7860904632916796
Energy: 0.7869947851614922
Energy: 0.7860904632922542
Energy: 0.7869947851614922
Energy: 0.7860904632922542
Energy: 0.7869947851609178
Energy: 0.7724704536701645
Energy: 0.7832795387803282
Energy: 0.7724704536690158
Energy: 0.7832795387797536
Energy: 0.7724704536695901
Energy: 0.7832795387797536
Energy: 0.78800068486859
Energy: 0.8077080160204729
Energy: 0.78800068486859
Energy: 0.8077080160198985
Energy: 0.78800068486859
Energy: 0.8077080160204729
Energy: 0.7827705045529845
Energy: 0.7793592888792171
Energy: 0.7827705045518357
Energy: 0.7793592888797916
Energy: 0.7827705045535588
Energy: 0.7793592888792171
Energy: 0.781340588121134
Energy: 0.7860510999899448
Energy: 0.7813405881217084
Energy: 0.7860510999899448
Energy: 0.781340588121134
Energy: 0.7860510999899448
Energy: 0.7640273961447737
Energy: 0.774496063051348
Energy: 0.7640273961430506
Energy: 0.774496063051348
Energy: 0.7640273961447737
Energy: 0.774496063051348
Energy: 0.7774870555182818
Energy: 0.8010369422618556
Energy: 0.777487055517133
Energy: 0.8010369422618556
Energy: 0.7774870555177074
Energy: 0.8010369422624298
Energy: 0.7932128933928848
Energy: 0.781694309352184
Energy: 0.7932128933934592
Energy: 0.781694309352184
Energy: 0.7932128933923104
Energy: 0.781694309352184
Energy: 0.7995555425764581
Energy: 0.7835994495748485
Energy: 0.7995555425758837
Energy: 0.7835994495748485
Energy: 0.7995555425764581
Energy: 0.7835994495742743
Energy: 0.7793922385817934
Energy: 0.7918899015820586
Energy: 0.7793922385817934
Energy: 0.7918899015820586
Energy: 0.7793922385823678
Energy: 0.7918899015820586
Energy: 0.7713995107558531
Energy: 0.7854036950463618
Energy: 0.7713995107564277
Energy: 0.7854036950463618
Energy: 0.7713995107558531
Energy: 0.7854036950463618
Energy: 0.7836856729810178
Energy: 0.8175723916866603
Energy: 0.7836856729804434
Energy: 0.8175723916860859
Energy: 0.7836856729815922
Energy: 0.8175723916866603
Energy: 0.7840793563440513
Energy: 0.7735626146923932
Energy: 0.7840793563446259
Energy: 0.7735626146923932
Energy: 0.7840793563446259
Energy: 0.7735626146929676
Energy: 0.7889595525280795
Energy: 0.7675654415278963
Energy: 0.788959552527505
Energy: 0.7675654415278963
Energy: 0.788959552527505
Energy: 0.7675654415278963
Energy: 0.765595635226583
Energy: 0.76455537064273
Energy: 0.7655956352260085
Energy: 0.7645553706421557
Energy: 0.765595635226583
Energy: 0.7645553706421557
Energy: 0.7785326026890935
Energy: 0.8238166820180388
Energy: 0.778532602689668
Energy: 0.8238166820180388
Energy: 0.778532602688519
Energy: 0.8238166820186132

minimum gb energy = 0.7640273961430506 eV
minimum distance =  2.32806325855072 Angstroms
sigma value = 57


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

Energy: 0.763689294138086
Energy: 0.7882064496768871
Energy: 0.763689294138086
Energy: 0.7882064496779094
Energy: 0.763689294138086
Energy: 0.7882064496779094
Energy: 0.7665716161059294
Energy: 0.8556337280187931
Energy: 0.7665716161049072
Energy: 0.855633728017771
Energy: 0.7665716161059294
Energy: 0.8556337280157267
Energy: 0.8228303858819432
Energy: 0.7906911118826307
Energy: 0.8228303858809211
Energy: 0.7906911118826307
Energy: 0.8228303858819432
Energy: 0.7906911118826307
Energy: 0.7542060862882993
Energy: 0.8401822179099372
Energy: 0.7542060862882993
Energy: 0.8401822179109594
Energy: 0.7542060862882993
Energy: 0.8401822179109594
Energy: 0.8207808139706131
Energy: 0.790721734210841
Energy: 0.8207808139706131
Energy: 0.790721734210841
Energy: 0.8207808139706131
Energy: 0.790721734210841
Energy: 0.7665599595625311
Energy: 0.7837898064389863
Energy: 0.7665599595615089
Energy: 0.783789806437964
Energy: 0.7665599595615089
Energy: 0.7837898064389863
Energy: 0.7636892941391081
Energy: 0.7882064496779094
Energy: 0.7636892941401303
Energy: 0.7882064496779094
Energy: 0.7636892941391081
Energy: 0.7882064496779094
Energy: 0.7665716161049072
Energy: 0.8556337280198153
Energy: 0.766571616103885
Energy: 0.8556337280198153
Energy: 0.7665716161049072
Energy: 0.8556337280167488
Energy: 0.8228303858788768
Energy: 0.7906911118816087
Energy: 0.8228303858788768
Energy: 0.7906911118816087
Energy: 0.8228303858788768
Energy: 0.7906911118826307
Energy: 0.7542060862882993
Energy: 0.7959146320131377
Energy: 0.7542060862882993
Energy: 0.7959146320121158
Energy: 0.7542060862882993
Energy: 0.7959146320110935
Energy: 0.820780813969591
Energy: 0.7907217342128853
Energy: 0.8207808139706131
Energy: 0.7907217342128853
Energy: 0.820780813969591
Energy: 0.7907217342128853
Energy: 0.7665599595604868
Energy: 0.783789806437964
Energy: 0.7665599595625311
Energy: 0.783789806437964
Energy: 0.7665599595604868
Energy: 0.7837898064389863
Energy: 0.763689294138086
Energy: 0.7882064496779094
Energy: 0.763689294138086
Energy: 0.7882064496779094
Energy: 0.763689294138086
Energy: 0.7882064496779094
Energy: 0.7665716161059294
Energy: 0.8556337280187931
Energy: 0.766571616103885
Energy: 0.8556337280187931
Energy: 0.7665716161049072
Energy: 0.8556337280147044
Energy: 0.8228303858819432
Energy: 0.7906911118826307
Energy: 0.8228303858809211
Energy: 0.7906911118826307
Energy: 0.8228303858819432
Energy: 0.7906911118826307
Energy: 0.7542060862882993
Energy: 0.7959146320121158
Energy: 0.7542060862882993
Energy: 0.7959146320110935
Energy: 0.7542060862882993
Energy: 0.7959146320110935
Energy: 0.820780813969591
Energy: 0.790721734210841
Energy: 0.8207808139706131
Energy: 0.790721734210841
Energy: 0.820780813969591
Energy: 0.790721734210841

minimum gb energy = 0.7542060862882993 eV
minimum distance =  2.35182143395411 Angstroms
sigma value = 9


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

Energy: 0.804903842782105
Energy: 0.7923470581766308
Energy: 0.804903842782105
Energy: 0.7923470581757962
Energy: 0.804903842782105
Energy: 0.7923470581766308
Energy: 0.8167854777177703
Energy: 0.7999784265870719
Energy: 0.8167854777169358
Energy: 0.7999784265879064
Energy: 0.8167854777177703
Energy: 0.7999784265870719
Energy: 0.8433732092932751
Energy: 0.8003364292453894
Energy: 0.8433732092932751
Energy: 0.8003364292445548
Energy: 0.8433732092932751
Energy: 0.8003364292453894
Energy: 0.7802428793131385
Energy: 0.8734064398871076
Energy: 0.7802428793131385
Energy: 0.8734064398871076
Energy: 0.7802428793131385
Energy: 0.8734064398871076
Energy: 0.8217212616112091
Energy: 0.8078829448868355
Energy: 0.8217212616120437
Energy: 0.8078829448868355
Energy: 0.8217212616120437
Energy: 0.8078829448868355
Energy: 0.8385348162606127
Energy: 0.784533050437162
Energy: 0.8385348162606127
Energy: 0.784533050437162
Energy: 0.838534816259778
Energy: 0.784533050437162
Energy: 0.778609491513807
Energy: 0.8502387254383548
Energy: 0.778609491513807
Energy: 0.8502387254383548
Energy: 0.778609491513807
Energy: 0.8502387254383548
Energy: 0.8030254235602347
Energy: 0.8364679410410516
Energy: 0.8030254235594001
Energy: 0.8364679410410516
Energy: 0.8030254235610692
Energy: 0.8364679410410516
Energy: 0.863691154761848
Energy: 0.807492454806595
Energy: 0.8636911547610135
Energy: 0.807492454806595
Energy: 0.863691154761848
Energy: 0.807492454806595
Energy: 0.7801633018163636
Energy: 0.8186634942042624
Energy: 0.7801633018171983
Energy: 0.8186634942042624
Energy: 0.7801633018171983
Energy: 0.8186634942042624
Energy: 0.8147289470718698
Energy: 0.8166687427202411
Energy: 0.8147289470735392
Energy: 0.8166687427202411
Energy: 0.8147289470727044
Energy: 0.8166687427202411
Energy: 0.8433950900362589
Energy: 0.7839064462609303
Energy: 0.8433950900379281
Energy: 0.7839064462609303
Energy: 0.8433950900362589
Energy: 0.7839064462609303
Energy: 0.7842105231660215
Energy: 0.8674721364762485
Energy: 0.7842105231668562
Energy: 0.8674721364754141
Energy: 0.7842105231660215
Energy: 0.8674721364762485
Energy: 0.8066114313226059
Energy: 0.8238573719369171
Energy: 0.806611431321771
Energy: 0.8238573719369171
Energy: 0.8066114313226059
Energy: 0.8238573719369171
Energy: 0.8521590370884968
Energy: 0.7826628545612522
Energy: 0.852159037087662
Energy: 0.7826628545604176
Energy: 0.852159037087662
Energy: 0.7826628545604176
Energy: 0.8071638818904626
Energy: 0.8342050785346106
Energy: 0.8071638818896277
Energy: 0.8342050785329412
Energy: 0.8071638818904626
Energy: 0.8342050785346106
Energy: 0.8111964470350026
Energy: 0.8453169350287156
Energy: 0.8111964470366716
Energy: 0.8453169350278811
Energy: 0.811196447035837
Energy: 0.8453169350278811
Energy: 0.9016118706225923
Energy: 0.7840537841066703
Energy: 0.9016118706225923
Energy: 0.7840537841075047
Energy: 0.9016118706225923
Energy: 0.7840537841066703
Energy: 0.7916165596566533
Energy: 0.823740985034191
Energy: 0.7916165596583226
Energy: 0.8237409850333564
Energy: 0.7916165596558187
Energy: 0.823740985034191
Energy: 0.790417056673082
Energy: 0.7944310066061787
Energy: 0.7904170566739167
Energy: 0.7944310066061787
Energy: 0.7904170566722474
Energy: 0.7944310066061787
Energy: 0.8523057098095148
Energy: 0.7886346864392277
Energy: 0.8523057098086801
Energy: 0.7886346864400624
Energy: 0.8523057098086801
Energy: 0.7886346864392277

minimum gb energy = 0.778609491513807 eV
minimum distance =  2.34647469008988 Angstroms
sigma value = 27


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

Energy: 0.8298143748407067
Energy: 0.8100608314317875
Energy: 0.8298143748400035
Energy: 0.8100608314290056
Energy: 0.8298143748414104
Energy: 0.8100608314303807
Energy: 0.8298336621714131
Energy: 0.7831443810792719
Energy: 0.8298336621728201
Energy: 0.7831443810792719
Energy: 0.8298336621714131
Energy: 0.7831443810792719
Energy: 0.800779752685375
Energy: 0.782694186262913
Energy: 0.8007797526839682
Energy: 0.782694186262913
Energy: 0.800779752685375
Energy: 0.782694186262913
Energy: 0.7638219289602634
Energy: 0.777793507844455
Energy: 0.7638219289602634
Energy: 0.777793507844455
Energy: 0.7638219289595598
Energy: 0.7777935078430481
Energy: 0.7782702201246542
Energy: 0.8414533759060375
Energy: 0.7782702201274683
Energy: 0.8414533759060375
Energy: 0.7782702201246542
Energy: 0.8414533759060375
Energy: 0.8324670708194538
Energy: 0.8139665768693877
Energy: 0.8324670708187503
Energy: 0.8139665768693877
Energy: 0.8324670708180468
Energy: 0.8139665768693877
Energy: 0.7651834118305604
Energy: 0.8366623903223877
Energy: 0.7651834118298569
Energy: 0.8366623903230911
Energy: 0.7651834118312638
Energy: 0.8366623903223877
Energy: 0.7844002683063208
Energy: 0.806078504427227
Energy: 0.7844002683070245
Energy: 0.806078504427227
Energy: 0.7844002683070245
Energy: 0.806078504427227
Energy: 0.8193530070727851
Energy: 0.765268555157129
Energy: 0.8193530070727851
Energy: 0.7652685551578324
Energy: 0.8193530070720817
Energy: 0.7652685551578324
Energy: 0.8170404960664321
Energy: 0.8096495024054337
Energy: 0.8170404960678392
Energy: 0.8096495024054337
Energy: 0.8170404960678392
Energy: 0.8096495024054337
Energy: 0.8357092200359282
Energy: 0.8067252711809086
Energy: 0.8357092200359282
Energy: 0.8067252711823155
Energy: 0.8357092200352246
Energy: 0.8067252711809086
Energy: 0.8381822114170664
Energy: 0.7654065268047292
Energy: 0.8381822114163628
Energy: 0.7654065268040259
Energy: 0.8381822114156592
Energy: 0.7654065268047292
Energy: 0.798451081990824
Energy: 0.7822182204122268
Energy: 0.7984510819894172
Energy: 0.7822182204115233
Energy: 0.798451081990824
Energy: 0.7822182204122268
Energy: 0.7650487905912094
Energy: 0.8233141896030813
Energy: 0.7650487905919129
Energy: 0.8233141896023777
Energy: 0.7650487905919129
Energy: 0.8233141896030813
Energy: 0.8242107619537635
Energy: 0.8127426621866509
Energy: 0.8242107619551706
Energy: 0.8127426621866509
Energy: 0.8242107619537635
Energy: 0.8127426621866509
Energy: 0.7920931754843944
Energy: 0.8310929156666873
Energy: 0.7920931754850979
Energy: 0.8310929156659838
Energy: 0.7920931754843944
Energy: 0.8310929156666873
Energy: 0.7753490464585078
Energy: 0.7992283807823222
Energy: 0.7753490464578043
Energy: 0.7992283807823222
Energy: 0.7753490464578043
Energy: 0.7992283807823222
Energy: 0.784318324624137
Energy: 0.7829694572777893
Energy: 0.7843183246227299
Energy: 0.7829694572784928
Energy: 0.7843183246227299
Energy: 0.7829694572784928
Energy: 0.7797291983388325
Energy: 0.7732829975666289
Energy: 0.7797291983289835
Energy: 0.7732829975666289
Energy: 0.7797291979583977
Energy: 0.7732829975666289
Energy: 0.829814374843521
Energy: 0.810060831435305
Energy: 0.829814374843521
Energy: 0.8100608314346016
Energy: 0.8298143748428174
Energy: 0.8100608314338982
Energy: 0.8298336621707095
Energy: 0.7831443810827894
Energy: 0.829833662174227
Energy: 0.7831443810827894
Energy: 0.8298336621728201
Energy: 0.7831443810827894
Energy: 0.8007797526818575
Energy: 0.7826941862622094
Energy: 0.800779752682561
Energy: 0.782694186261506
Energy: 0.8007797526818575
Energy: 0.782694186261506
Energy: 0.7638219289588564
Energy: 0.7777935078472692
Energy: 0.7638219289588564
Energy: 0.7777935078451587
Energy: 0.7638219289602634
Energy: 0.7777935078458621
Energy: 0.7782702201281717
Energy: 0.8414533759018485
Energy: 0.7782702201288753
Energy: 0.8414533759018485
Energy: 0.7782702201260613
Energy: 0.8414533759018485
Energy: 0.8324670708194538
Energy: 0.8139665768679807
Energy: 0.8324670708187503
Energy: 0.8139665768679807
Energy: 0.8324670708187503
Energy: 0.8139665768679807

minimum gb energy = 0.7638219289588564 eV
minimum distance =  2.34266158656113 Angstroms
sigma value = 19


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

Energy: 0.7767774109910649
Energy: 0.805524720800685
Energy: 0.7767774109910649
Energy: 0.8055247208000778
Energy: 0.7767774109916722
Energy: 0.805524720800685
Energy: 0.7713435248676381
Energy: 0.7698020321153033
Energy: 0.7713435248676381
Energy: 0.7698020321159107
Energy: 0.7713435248676381
Energy: 0.7698020321153033
Energy: 0.7903031361389649
Energy: 0.7398149597878709
Energy: 0.7903031361389649
Energy: 0.7398149597884783
Energy: 0.7903031361383575
Energy: 0.7398149597884783
Energy: 0.7497606420346907
Energy: 0.7896359321266544
Energy: 0.7497606420359052
Energy: 0.7896359321266544
Energy: 0.7497606420346907
Energy: 0.7896359321266544
Energy: 0.769295717254132
Energy: 0.7736892275461942
Energy: 0.7692957172535524
Energy: 0.7736892275455869
Energy: 0.7692957172535524
Energy: 0.7736892275461942
Energy: 0.781012703550694
Energy: 0.7538110620273274
Energy: 0.7810127035519085
Energy: 0.7538110620279347
Energy: 0.7810127035500868
Energy: 0.7538110620279347
Energy: 0.7497608883301737
Energy: 0.7875656971767936
Energy: 0.7497608883301737
Energy: 0.7875656971767936
Energy: 0.7497608883295664
Energy: 0.787565697177401
Energy: 0.7666256478526908
Energy: 0.7961127204297626
Energy: 0.7666256478526908
Energy: 0.7961127204297626
Energy: 0.7666256478526908
Energy: 0.7961127204303696
Energy: 0.8151839093827182
Energy: 0.7441009267944543
Energy: 0.8151839093839327
Energy: 0.7441009267944543
Energy: 0.8151839093833254
Energy: 0.7441009267944543
Energy: 0.767623759722359
Energy: 0.7656193435116316
Energy: 0.7676237597229663
Energy: 0.7656193435116316
Energy: 0.7676237597229663
Energy: 0.7656193435122388
Energy: 0.7468951951043531
Energy: 0.8113403463697735
Energy: 0.7468951951037457
Energy: 0.8113403463697735
Energy: 0.7468951951037457
Energy: 0.8113403463703808
Energy: 0.7778872403931612
Energy: 0.7441586588380703
Energy: 0.7778872403937684
Energy: 0.7441586588380703
Energy: 0.7778872403937684
Energy: 0.7441586588380703
Energy: 0.7530360396058254
Energy: 0.7532459138808466
Energy: 0.7530360396064326
Energy: 0.7532459138808466
Energy: 0.7530360396058254
Energy: 0.7532459138802393
Energy: 0.7473040328730604
Energy: 0.7905954940609936
Energy: 0.7473040328730604
Energy: 0.7905954940597791
Energy: 0.7473040328736676
Energy: 0.7905954940603864
Energy: 0.7829821690881971
Energy: 0.7483115363845811
Energy: 0.7829821690888044
Energy: 0.7483115363857956
Energy: 0.7829821690881971
Energy: 0.7483115363857956
Energy: 0.8124227149343679
Energy: 0.7395068292811156
Energy: 0.8124227149337607
Energy: 0.7395068292811156
Energy: 0.8124227149337607
Energy: 0.7395068292811156
Energy: 0.7497016070373964
Energy: 0.7874341179102122
Energy: 0.7497016070380036
Energy: 0.7874341179096049
Energy: 0.7497016070373964
Energy: 0.7874341179096049
Energy: 0.7771441544276267
Energy: 0.7867055199923231
Energy: 0.7771441544270196
Energy: 0.7867055199923231
Energy: 0.7771441544276267
Energy: 0.7867055199923231
Energy: 0.7974982815230038
Energy: 0.7542080753592404
Energy: 0.7974982815236111
Energy: 0.7542080753592404
Energy: 0.7974982815217893
Energy: 0.7542080753592404
Energy: 0.7504449374708481
Energy: 0.783931573621371
Energy: 0.7504449374720625
Energy: 0.783931573621371
Energy: 0.7504449374708481
Energy: 0.783931573621371
Energy: 0.7429175087347402
Energy: 0.7998806883830402
Energy: 0.7429175087347402
Energy: 0.7998806883824328
Energy: 0.7429175087347402
Energy: 0.7998806883830402
Energy: 0.8243177146441358
Energy: 0.7400837170800473
Energy: 0.8243177146435285
Energy: 0.7400837170800473
Energy: 0.824317714644743
Energy: 0.7400837170794401
Energy: 0.7789227431427536
Energy: 0.7597124584392044
Energy: 0.7789227431427536
Energy: 0.7597124584392044
Energy: 0.7789227431433607
Energy: 0.7597124584385971
Energy: 0.7781138851423166
Energy: 0.807719201342753
Energy: 0.7781138851429239
Energy: 0.8077192013421457
Energy: 0.7781138851429239
Energy: 0.8077192013421457
Energy: 0.8036076642401928
Energy: 0.7459843963342976
Energy: 0.8036076642408001
Energy: 0.7459843963342976
Energy: 0.8036076642408001
Energy: 0.7459843963349049
Energy: 0.7646275204356325
Energy: 0.7550806792697523
Energy: 0.764627520434418
Energy: 0.7550806792691451
Energy: 0.764627520436847
Energy: 0.7550806792691451
Energy: 0.7433733077499032
Energy: 0.8090163423426446
Energy: 0.743373307749296
Energy: 0.8090163423426446
Energy: 0.743373307749296
Energy: 0.8090163423420376
Energy: 0.7806110543207472
Energy: 0.7589770604378191
Energy: 0.7806110543201399
Energy: 0.7589770604372119
Energy: 0.7806110543201399
Energy: 0.7589770604378191
Energy: 0.799434513086165
Energy: 0.7535225394459623
Energy: 0.799434513086165
Energy: 0.7535225394459623
Energy: 0.7994345130855579
Energy: 0.7535225394459623

minimum gb energy = 0.7395068292811156 eV
minimum distance =  2.32039196480057 Angstroms
sigma value = 101


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

Energy: 0.7544748930811542
Energy: 0.7673243239989682
Energy: 0.7544748930811542
Energy: 0.7673243239989682
Energy: 0.7544748930800866
Energy: 0.7673243239995021
Energy: 0.7599101267826588
Energy: 0.7448295743571903
Energy: 0.7599101267826588
Energy: 0.7212630928569581
Energy: 0.7599101267815912
Energy: 0.7448295743571903
Energy: 0.7533854708735592
Energy: 0.7099025855886454
Energy: 0.7533854708730254
Energy: 0.7099025855886454
Energy: 0.7533854708724916
Energy: 0.7099025855891549
Energy: 0.7056226791485444
Energy: 0.7695845219244867
Energy: 0.7056226791480107
Energy: 0.7695845219250205
Energy: 0.7056226791480107
Energy: 0.7962649652854114
Energy: 0.7361634865859715
Energy: 0.7277879930162157
Energy: 0.7361634865849039
Energy: 0.7277879930162157
Energy: 0.7361634865859715
Energy: 0.7277879930162157
Energy: 0.7573289724490287
Energy: 0.7099216978117296
Energy: 0.7573289724500963
Energy: 0.7099216978111957
Energy: 0.7573289724485193
Energy: 0.7099216978111957
Energy: 0.7215511350977933
Energy: 0.7614386172461737
Energy: 0.7215511350972594
Energy: 0.7614386172467076
Energy: 0.7215511350972594
Energy: 0.7614386172467076
Energy: 0.7096185882459146
Energy: 0.7581221879467019
Energy: 0.7096185882459146
Energy: 0.7986331708202965
Energy: 0.7096185882453809
Energy: 0.7581221879467019
Energy: 0.7571814777050647
Energy: 0.7056538856805122
Energy: 0.7571814777050647
Energy: 0.7056538856799784
Energy: 0.7571814777055986
Energy: 0.7056538856799784
Energy: 0.7374633273525097
Energy: 0.7215940032275951
Energy: 0.737463327351976
Energy: 0.7215940032238586
Energy: 0.7374633273514422
Energy: 0.7215940032275951
Energy: 0.7104928861435239
Energy: 0.8425690552358495
Energy: 0.7104928861424562
Energy: 0.8425690552353157
Energy: 0.7104928861429901
Energy: 0.8425690552358495
Energy: 0.7700390706020899
Energy: 0.7352778897846237
Energy: 0.770039070601556
Energy: 0.7352778897840899
Energy: 0.7700390706036913
Energy: 0.7352778897840899
Energy: 0.7509557507246918
Energy: 0.7095447704071605
Energy: 0.7509557507257594
Energy: 0.7095447704071605
Energy: 0.7509557507241579
Energy: 0.7095447704076943
Energy: 0.7399585505449267
Energy: 0.7676564691893148
Energy: 0.7399585505454604
Energy: 0.8003190595634045
Energy: 0.7399585505454604
Energy: 0.767656469188781
Energy: 0.7578540652038795
Energy: 0.724347930670846
Energy: 0.757854065205481
Energy: 0.7243479306713798
Energy: 0.7578540652038795
Energy: 0.7243479306713798
Energy: 0.7531143770591584
Energy: 0.7091192322960883
Energy: 0.7531143770580908
Energy: 0.7091192322960883
Energy: 0.7531143770591584
Energy: 0.7091192322960883
Energy: 0.7085720770193571
Energy: 0.7709915766327924
Energy: 0.708572077019891
Energy: 0.7709915766327924
Energy: 0.7085720770188234
Energy: 0.7709915766327924
Energy: 0.7096388550989715
Energy: 0.7268506788611964
Energy: 0.7096388551000391
Energy: 0.7268506788606626
Energy: 0.7096388550989715
Energy: 0.7268506788606626
Energy: 0.757927728748234
Energy: 0.7057151551997065
Energy: 0.7579277287487678
Energy: 0.7057151552007741
Energy: 0.7579277287477001
Energy: 0.7057151551991726
Energy: 0.7350931953998807
Energy: 0.7218141788475727
Energy: 0.7350931954004146
Energy: 0.7218141788481066
Energy: 0.7350931953998807
Energy: 0.7218141788475727
Energy: 0.709373766318536
Energy: 0.846119753747135
Energy: 0.7093737663196036
Energy: 0.8461197537476689
Energy: 0.7093737663201374
Energy: 0.846119753747135
Energy: 0.7644022769858192
Energy: 0.7079960452391882
Energy: 0.7644022769847516
Energy: 0.7079960452391882
Energy: 0.7644022769863531
Energy: 0.7079960452391882
Energy: 0.7768188620327072
Energy: 0.7090683301157172
Energy: 0.7768188620311058
Energy: 0.7090683301157172
Energy: 0.7768188620327072
Energy: 0.7090683301157172
Energy: 0.7055233794425649
Energy: 0.7846255160135683
Energy: 0.7055233794430985
Energy: 0.7846255160146358
Energy: 0.705523379442031
Energy: 0.7846255160141021
Energy: 0.7665593773610936
Energy: 0.7215079203201948
Energy: 0.7665593773589584
Energy: 0.7215079203207286
Energy: 0.7665593773605597
Energy: 0.7215079203207286
Energy: 0.7493752833551284
Energy: 0.7091133864232038
Energy: 0.7493752833540608
Energy: 0.7091133864232038
Energy: 0.7493752833556622
Energy: 0.7091133864232038
Energy: 0.7399042803760733
Energy: 0.7689203083145131
Energy: 0.7399042803771407
Energy: 0.7689203083145131
Energy: 0.7399042803771407
Energy: 0.7689203083145131
Energy: 0.7398970544239046
Energy: 0.7593613412292799
Energy: 0.7398970544239046
Energy: 0.7593613412292799
Energy: 0.7398970544239046
Energy: 0.7593613412292799
Energy: 0.7848691867487722
Energy: 0.7060123292898717
Energy: 0.784869186749306
Energy: 0.7060123292893379
Energy: 0.7848691867482384
Energy: 0.7060123292898717
Energy: 0.709329854969509
Energy: 0.7349250018833269
Energy: 0.7093298549700426
Energy: 0.7349250018838607
Energy: 0.709329854969509
Energy: 0.7349250018838607
Energy: 0.7088947879728967
Energy: 0.761148808018103
Energy: 0.7088947879718291
Energy: 0.7611488080186368
Energy: 0.7088947879723629
Energy: 0.7611488080186368
Energy: 0.7733607342413344
Energy: 0.708590174342664
Energy: 0.7733607342413344
Energy: 0.708590174342664
Energy: 0.7733607342408005
Energy: 0.708590174342664
Energy: 0.7638175378739718
Energy: 0.708675278852335
Energy: 0.7638175378745056
Energy: 0.7086752788518011
Energy: 0.763817537873438
Energy: 0.708675278852335

minimum gb energy = 0.705523379442031 eV
minimum distance =  2.32532352740859 Angstroms
sigma value = 33


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

Energy: 0.015488629656568359
Energy: 0.5816480683353633
Energy: 0.015488629656568359
Energy: 0.5816480683349445
Energy: 0.015488629656568359
Energy: 0.5816480683349445
Energy: 0.01659882711797362
Energy: 0.2151601492511418
Energy: 0.01659882711797362
Energy: 0.2151601492511418
Energy: 0.01659882711797362
Energy: 0.21516014925156074
Energy: 0.5817695846124774
Energy: 0.21523150019530485
Energy: 0.5817695846133399
Energy: 0.2152315001979167
Energy: 0.5817695846133399
Energy: 0.21523150019616727
Energy: 0.01659882711797362
Energy: 0.2151601492511418
Energy: 0.0165988271183925
Energy: 0.21516014925156074
Energy: 0.01659882711797362
Energy: 0.21516014925156074

minimum gb energy = 0.015488629656568359 eV
minimum distance =  2.54581875760944 Angstroms
sigma value = 1