Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Pb__MO_958424213898_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pb
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.939586490392685
cohesive_energy=2.0170550541167356
mass=207.2
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[7.325407918909439e-20, 1.082063635481214e-19, 1.364532182585316e-19, 1.60414731125982e-19, 1.8135357755572798e-19, 1.99796232789702e-19, 2.16168875812548e-19, 2.30782328891262e-19, 2.4387050981440795e-19, 2.55577614479046e-19, 2.660414300757e-19, 2.75367700262214e-19, 2.83646146930092e-19, 2.91056213862342e-19, 2.97586685822526e-19, 3.03272810696592e-19, 3.0816265378356e-19, 3.1229626949928e-19, 3.1571371225960196e-19, 3.18447025597206e-19, 3.20534661751308e-19, 3.2199744901815e-19, 3.22859420047242e-19, 3.2314300531146e-19, 3.2283538739773196e-19, 3.2183562917811597e-19, 3.2000914781535595e-19, 3.1719091911614995e-19, 3.13246360243242e-19, 3.07893488109048e-19, 3.00834297859644e-19, 2.91709901929014e-19, 2.80082906096076e-19, 2.6541658118844e-19, 2.47066852199238e-19, 2.24123682800358e-19, 1.9548958199751e-19, 1.59765048500895e-19, 1.1516109188098858e-19, 5.92106805567576e-20, -1.127808982735182e-20, -1.006019525901672e-19, -2.1478139084750398e-19, -3.6183557102256e-19, -5.539637864419379e-19, -8.08668214655454e-19, -1.152062732620674e-18, -1.62539217342666e-18, -2.2952462023357196e-18, -3.2752656058208395e-18, -4.77153836431344e-18, -7.188758273795578e-18, -1.1407609786444379e-17, -1.96487738040492e-17]
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: 0.004166335410836505
Energy: 0.05987545279536774
Energy: 0.44160153464148794
Energy: 0.004352776106272118
Energy: 0.059875452795694346
Energy: 0.5153485844059609
Energy: 0.004352776106598719
Energy: 0.5153485844053076
Energy: 0.44160153464182383
Energy: 0.004352776106598719
Energy: 0.004166335410836505
Energy: 0.05987545279536774
Energy: 0.004352776106272118
Energy: 0.5153485844062875
Energy: 0.059875452796020946
Energy: 0.5153485844062875

minimum gb energy = 0.004166335410836505 eV
minimum distance =  3.41572667698936 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.8214754547449898
Energy: 0.5167413134262175
Energy: 0.5172887037675322
Energy: 0.48367575794594475
Energy: 0.5074366273640643
Energy: 0.5339002976238794
Energy: 0.5074043779709113
Energy: 0.5339002976230829
Energy: 0.5170327907433625
Energy: 0.5166531885184875
Energy: 0.5075597745295753
Energy: 0.5166531885176726
Energy: 0.5071631424698326
Energy: 0.5075006730827997
Energy: 0.5074126585980575
Energy: 0.5075006730823922
Energy: 0.5395328764166221
Energy: 0.5075426162952105
Energy: 0.507867039483457
Energy: 0.5075426162956178
Energy: 0.5071124669114497
Energy: 0.5765445833173569
Energy: 0.5074741344525965
Energy: 0.5765445833177644
Energy: 0.5405319618020576
Energy: 0.5659815935904585
Energy: 0.5400437868118064
Energy: 0.5659815935904585
Energy: 0.5399704783258062
Energy: 0.5730961896857392
Energy: 0.5155029887127232
Energy: 0.5730961896853316
Energy: 0.5456200266718922
Energy: 0.5946015619230546
Energy: 0.5395569738453341
Energy: 0.5946015619226471
Energy: 0.5464503063041292
Energy: 0.5471716248575936
Energy: 0.5460352508628522
Energy: 0.5471716248584085
Energy: 0.5451662044103391
Energy: 0.594631453088386
Energy: 0.5461853027078434
Energy: 0.5946314530887935
Energy: 0.5457582088279961
Energy: 0.593930389557457
Energy: 0.516037536905641
Energy: 0.593930389557457
Energy: 0.5406136414516133
Energy: 0.5663333265066621
Energy: 0.5450939017357116
Energy: 0.5663333265070696
Energy: 0.5072559948048923
Energy: 0.5661434622893281
Energy: 0.5387044594603027
Energy: 0.5661434622897356
Energy: 0.5310750725086812
Energy: 0.5075750575393094
Energy: 0.5073224356635024
Energy: 0.5075750575389021
Energy: 0.48173611646829156
Energy: 0.5072819293107905
Energy: 0.5073861651312517
Energy: 0.5072819293111979
Energy: 0.5161965509680666
Energy: 0.5158256627477779
Energy: 0.48173329510824664
Energy: 0.5158256627477779
Energy: 0.5073445740918819
Energy: 0.5074943345808842
Energy: 0.5315352039159101
Energy: 0.5074943345825139
Energy: 0.5074909086682494
Energy: 0.517522914488735
Energy: 0.5173194749802286
Energy: 0.517522914488735
Energy: 0.5070137886841872
Energy: 0.5074124916217566
Energy: 0.5070276314803691
Energy: 0.5074124916242011
Energy: 0.5072912309646421
Energy: 0.5073373544789169
Energy: 0.5393808561395268
Energy: 0.5073373544789169
Energy: 0.5074720754835279
Energy: 0.5073241497628392
Energy: 0.5071606356710229
Energy: 0.5073241497628392
Energy: 0.5400502422838025
Energy: 0.5662810818020543
Energy: 0.5413167210849935
Energy: 0.5662810818020543
Energy: 0.5154080149096623
Energy: 0.5661901002823839
Energy: 0.5404684530743751
Energy: 0.5661901002827914
Energy: 0.5461073681713292
Energy: 0.5947947320362799
Energy: 0.5455639797047162
Energy: 0.5947947320362799
Energy: 0.5467222560866587
Energy: 0.5939733987750969
Energy: 0.5471137724563432
Energy: 0.5939733987759118
Energy: 0.5465783068694998
Energy: 0.5941145312668268
Energy: 0.5308743561057719
Energy: 0.5941145312672342
Energy: 0.5160269761156852
Energy: 0.5944063675443689
Energy: 0.5458224461264507
Energy: 0.5944063675435541
Energy: 0.5450122258477569
Energy: 0.5665478883841135
Energy: 0.5402712280045088
Energy: 0.5665478883841135
Energy: 0.5386100301002545
Energy: 0.5664870051735732
Energy: 0.5074668987604137
Energy: 0.5664870051739807
Energy: 0.5074389966873707
Energy: 0.5076287152971559
Energy: 0.5310649680844818
Energy: 0.5076287152971559
Energy: 0.5073788258103817
Energy: 0.50761349543931
Energy: 0.4815838273250711
Energy: 0.5076134954389026
Energy: 0.4816349475344557
Energy: 0.5155535218701116
Energy: 0.5156736856858802
Energy: 0.5155535218705192

minimum gb energy = 0.4815838273250711 eV
minimum distance =  3.14768398973194 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 0.6123826458250721
Energy: 0.5516648642662889
Energy: 0.5524155958278557
Energy: 0.5140122475707747
Energy: 0.5417927508265079
Energy: 0.5677714256143724
Energy: 0.5419324606998672
Energy: 0.5677714256139079
Energy: 0.5511852939254378
Energy: 0.5511736704667803
Energy: 0.5413623179725494
Energy: 0.5511736704653868
Energy: 0.5413021267929531
Energy: 0.5422864657404138
Energy: 0.5418939423051735
Energy: 0.5422864657399493
Energy: 0.5411495093313924
Energy: 0.5423860683452468
Energy: 0.5413848225265844
Energy: 0.5423860683443177
Energy: 0.5412758165051682
Energy: 0.611698622775149
Energy: 0.5422051902623048
Energy: 0.6116986227742199
Energy: 0.5416595748360631
Energy: 0.6088827735569088
Energy: 0.5779374212690854
Energy: 0.6088827735569088
Energy: 0.5783708447610996
Energy: 0.608968258924435
Energy: 0.5500414563479642
Energy: 0.608968258924435
Energy: 0.5461525121134612
Energy: 0.6350238955729092
Energy: 0.5825818950445337
Energy: 0.63502389557198
Energy: 0.5502936602190942
Energy: 0.6350022907016829
Energy: 0.5837481988048131
Energy: 0.635002290702612
Energy: 0.5695609472197558
Energy: 0.6091376329967306
Energy: 0.5793581062092609
Energy: 0.6091376329962661
Energy: 0.5766263937749203
Energy: 0.6095742783866532
Energy: 0.5411091786814004
Energy: 0.6095742783861887
Energy: 0.5419695950010243
Energy: 0.542358200868186
Energy: 0.5692918713366845
Energy: 0.5423582008686505
Energy: 0.5418611087501733
Energy: 0.5420961493144626
Energy: 0.5111605802417105
Energy: 0.5420961493130689
Energy: 0.5112161259600865
Energy: 0.54992143067947
Energy: 0.550846654234751
Energy: 0.549921430680399
Energy: 0.569565180324595
Energy: 0.5418626187276248
Energy: 0.5417936825851186
Energy: 0.5418626187271602
Energy: 0.5521245560208196
Energy: 0.5523784548502774
Energy: 0.5416539443882012
Energy: 0.5523784548465612
Energy: 0.5412324319490305
Energy: 0.5425232375123153
Energy: 0.5409553181817975
Energy: 0.5425232375169606
Energy: 0.5411316396712417
Energy: 0.5415464152399789
Energy: 0.5417813396399124
Energy: 0.541546415241837
Energy: 0.5412011555726117
Energy: 0.5417976248507141
Energy: 0.5420677796004143
Energy: 0.5417976248511785
Energy: 0.5413212091503088
Energy: 0.6094854712252679
Energy: 0.5779079325357621
Energy: 0.6094854712261968
Energy: 0.5416159544460545
Energy: 0.6085334706390458
Energy: 0.5499529219949826
Energy: 0.6085334706376524
Energy: 0.5464238739662751
Energy: 0.6350845749580127
Energy: 0.5826907787057333
Energy: 0.6350845749584773
Energy: 0.550340831222819
Energy: 0.6349270409053321
Energy: 0.5837956279523894
Energy: 0.6349270409076547
Energy: 0.576632663880872
Energy: 0.6092921896798447
Energy: 0.5409724771369159
Energy: 0.6092921896807737
Energy: 0.5766851606670543
Energy: 0.6090849830614402
Energy: 0.5411867954159785
Energy: 0.6090849830614402
Energy: 0.5421619489342079
Energy: 0.5424817122114143
Energy: 0.5692554924073217
Energy: 0.5424817122104851
Energy: 0.5418504901007396
Energy: 0.5421640893982757
Energy: 0.5112227996892662
Energy: 0.5421640893936409
Energy: 0.5111888202724723
Energy: 0.5499608462053645
Energy: 0.5501529833417075
Energy: 0.5499608462053645

minimum gb energy = 0.5111605802417105 eV
minimum distance =  3.15072882057696 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.8869688514508611
Energy: 0.591427216459379
Energy: 0.5914791390011246
Energy: 0.5484426262576388
Energy: 0.5817659932982144
Energy: 0.6058938323844072
Energy: 0.582042567172601
Energy: 0.6058938323844072
Energy: 0.5910546468586746
Energy: 0.5905726759519979
Energy: 0.5811651714940338
Energy: 0.5905726759519979
Energy: 0.5802995685764285
Energy: 0.6058182724497734
Energy: 0.5817680337575275
Energy: 0.6058182724492334
Energy: 0.580972203160372
Energy: 0.5833978292844956
Energy: 0.5814825425878846
Energy: 0.5833978292844956
Energy: 0.5803472365938859
Energy: 0.5819777780510482
Energy: 0.5817818086316612
Energy: 0.5819777780505083
Energy: 0.5808847013309381
Energy: 0.660610468007491
Energy: 0.6185569843218053
Energy: 0.660610468006951
Energy: 0.5812622973771108
Energy: 0.6591969977571815
Energy: 0.5542066983646494
Energy: 0.6591969977571815
Energy: 0.6198574220091437
Energy: 0.6613756000981976
Energy: 0.6146191676916511
Energy: 0.6613756000981976
Energy: 0.5802371895233398
Energy: 0.6601728188364822
Energy: 0.5818208696905419
Energy: 0.6601728188359423
Energy: 0.5442736796005616
Energy: 0.5830220985946699
Energy: 0.5814409532254214
Energy: 0.5830220985946699
Energy: 0.5443013752352175
Energy: 0.5820512618936954
Energy: 0.5816925135852509
Energy: 0.5820512618942353
Energy: 0.5894547062172739
Energy: 0.5893878893018393
Energy: 0.5443227376666893
Energy: 0.5893878893018393
Energy: 0.5816720529479658
Energy: 0.5806740627001606
Energy: 0.6145560917405386
Energy: 0.5806740627001606
Energy: 0.5810731812351638
Energy: 0.5926642764531029
Energy: 0.5925442880072868
Energy: 0.5926642764531029
Energy: 0.5924447686132002
Energy: 0.5803931280166085
Energy: 0.5903669423610336
Energy: 0.5803931280166085
Energy: 0.5821151496368475
Energy: 0.5815069766752303
Energy: 0.5809380357572638
Energy: 0.5815069766752303
Energy: 0.5821674900291735
Energy: 0.5832683640068522
Energy: 0.5805017894732909
Energy: 0.5832683640068522
Energy: 0.6185856512308477
Energy: 0.6605633264804597
Energy: 0.5804242580199631
Energy: 0.6605633264799197
Energy: 0.5547861892159994
Energy: 0.6603337203568643
Energy: 0.5804760617263827
Energy: 0.6603337203568643
Energy: 0.614743710569774
Energy: 0.6614835586283069
Energy: 0.6200403084283537
Energy: 0.6614835586288469
Energy: 0.6149308076919348
Energy: 0.6609350199202632
Energy: 0.5803352747314339
Energy: 0.6609350199202632
Energy: 0.5825072656264318
Energy: 0.5832041099729838
Energy: 0.5444093965780611
Energy: 0.5832041099724438
Energy: 0.5816880098621521
Energy: 0.5824980863007001
Energy: 0.5443195803751407
Energy: 0.5824980863001601
Energy: 0.5442075327276408
Energy: 0.5893594637246349
Energy: 0.5896056394651611
Energy: 0.5893594637246349

minimum gb energy = 0.5442075327276408 eV
minimum distance =  3.15254552277405 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.832455005668007
Energy: 0.6369143572061755
Energy: 0.6371616981587749
Energy: 0.586528354986706
Energy: 0.638641965906229
Energy: 0.6473103056292248
Energy: 0.6274799492849031
Energy: 0.6473103056298031
Energy: 0.6339414559022261
Energy: 0.6341292350176414
Energy: 0.6383192846050253
Energy: 0.6341292350172535
Energy: 0.6336033699631647
Energy: 0.6476225776569055
Energy: 0.6276805506276927
Energy: 0.6476225776561296
Energy: 0.6259220584698808
Energy: 0.631630497175214
Energy: 0.6272038624227111
Energy: 0.6316304971755946
Energy: 0.6225193759297193
Energy: 0.6278734715454498
Energy: 0.6278727468665801
Energy: 0.6278734715456401
Energy: 0.6638161913552146
Energy: 0.7233498490502209
Energy: 0.6280002723777447
Energy: 0.7233498490502868
Energy: 0.628063043014271
Energy: 0.716971186049333
Energy: 0.6277508693270226
Energy: 0.7169711860490766
Energy: 0.6286478705388799
Energy: 0.6314286570362669
Energy: 0.5800302342820401
Energy: 0.6314286570360107
Energy: 0.6277321326896517
Energy: 0.6273725828655929
Energy: 0.5800365819755515
Energy: 0.6273725828661055
Energy: 0.5798845820140418
Energy: 0.6337132565296468
Energy: 0.6338246821106929
Energy: 0.6337132565298371
Energy: 0.6759497344941684
Energy: 0.6226622176129888
Energy: 0.6385833298719509
Energy: 0.6226622176131791
Energy: 0.638888368239301
Energy: 0.6338389028421869
Energy: 0.6382988279846933
Energy: 0.6338389028418063
Energy: 0.6335465288164615
Energy: 0.622662872327765
Energy: 0.6379354497248749
Energy: 0.6226628723280286
Energy: 0.6259122375640009
Energy: 0.6222619075939942
Energy: 0.6280518388200265
Energy: 0.6222619075944407
Energy: 0.6224712037314569
Energy: 0.6317715971044741
Energy: 0.6277520752705537
Energy: 0.6317715971045398
Energy: 0.663461823601052
Energy: 0.7243234351398542
Energy: 0.6280163146441189
Energy: 0.7243234351406301
Energy: 0.6635199202722946
Energy: 0.720619857293227
Energy: 0.6276684868549595
Energy: 0.7206198572934173
Energy: 0.6306617681566683
Energy: 0.6315063766047352
Energy: 0.5800581821890438
Energy: 0.6315063766046694
Energy: 0.627956155004022
Energy: 0.6314028446908335
Energy: 0.5800664422357209
Energy: 0.6314028446911555
Energy: 0.5795692340929635
Energy: 0.6334281076019032
Energy: 0.633228955778652
Energy: 0.6334281076013835

minimum gb energy = 0.5795692340929635 eV
minimum distance =  3.15777450710652 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.7477775201976629
Energy: 0.689609845531322
Energy: 0.6897455652943596
Energy: 0.6241897438501568
Energy: 0.6901863118403674
Energy: 0.6675123680795558
Energy: 0.6903293531649408
Energy: 0.6675123680798817
Energy: 0.6837620227966701
Energy: 0.6836253873013727
Energy: 0.6900436320116303
Energy: 0.6836253873010558
Energy: 0.6837294666930422
Energy: 0.6676791536352075
Energy: 0.6351055436266025
Energy: 0.6676791536350536
Energy: 0.6328764155033839
Energy: 0.6352082609898463
Energy: 0.635091181056525
Energy: 0.6352082609898463
Energy: 0.6194456411859722
Energy: 0.7172520208305923
Energy: 0.6342439791968454
Energy: 0.7172520208307552
Energy: 0.6166631965611381
Energy: 0.6351507583848865
Energy: 0.6351050947407207
Energy: 0.6351507583844882
Energy: 0.6168672134625159
Energy: 0.6679079796104008
Energy: 0.6351646925786102
Energy: 0.6679079796103283
Energy: 0.6835588824458739
Energy: 0.6835492366092473
Energy: 0.7455643071336625
Energy: 0.6835492366091658
Energy: 0.6903079775359158
Energy: 0.6199144293747002
Energy: 0.7443288090034117
Energy: 0.6199144293749355
Energy: 0.6899870193411916
Energy: 0.6837401041630791
Energy: 0.6901241348229042
Energy: 0.6837401041630791
Energy: 0.6828098525691538
Energy: 0.634886088737971
Energy: 0.6839573141204737
Energy: 0.634886088738134
Energy: 0.6345635411673284
Energy: 0.7177768462174873
Energy: 0.6329097296068851
Energy: 0.7177768462174873
Energy: 0.6352130456400236
Energy: 0.6352018227237621
Energy: 0.6201873398607741
Energy: 0.6352018227244774
Energy: 0.6349907774353413
Energy: 0.6870258670075783
Energy: 0.6167457148336409
Energy: 0.6870258670070261
Energy: 0.6348172920368657
Energy: 0.6347723553776348
Energy: 0.6168226387479893
Energy: 0.6347723553779515
Energy: 0.7443839904444232
Energy: 0.6832931653186213
Energy: 0.6827598408319181
Energy: 0.6832931653187028

minimum gb energy = 0.6166631965611381 eV
minimum distance =  3.16661187829278 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 0.9975817957978972
Energy: 0.7522942146624505
Energy: 0.7522049790433961
Energy: 0.7054756644770963
Energy: 0.6466787797715444
Energy: 0.6466603498724354
Energy: 0.7133475125174493
Energy: 0.6466603498724354
Energy: 0.6676702355546505
Energy: 0.6676241789491151
Energy: 0.7504189217008256
Energy: 0.6676241789491151
Energy: 0.6677537282979586
Energy: 0.6734211968026329
Energy: 0.6665181416881686
Energy: 0.6734211968039865
Energy: 0.6674260171962667
Energy: 0.701360213351775
Energy: 0.6342477549989219
Energy: 0.7013602133522262
Energy: 0.6669868224585813
Energy: 0.6724319005724716
Energy: 0.6677233605334397
Energy: 0.6724319005720203
Energy: 0.6977840950146064
Energy: 0.6667277716929452
Energy: 0.6668474023944826
Energy: 0.6667277716924941
Energy: 0.7859636011384733
Energy: 0.6665880596701218
Energy: 0.646696221102751
Energy: 0.6665880596701218
Energy: 0.751167036024869
Energy: 0.7433379595922439
Energy: 0.7531725500216795
Energy: 0.7433379595926951
Energy: 0.7433231345626524
Energy: 0.6988968934350724
Energy: 0.7124803250388738
Energy: 0.6988968934355236
Energy: 0.6663735342908353
Energy: 0.6466154062444414
Energy: 0.6455513392992371
Energy: 0.6466154062448924
Energy: 0.7437975981128897
Energy: 0.6467133361385877
Energy: 0.6470399101729137
Energy: 0.6467133361390389
Energy: 0.6981559213043782
Energy: 0.6465874787422292
Energy: 0.6471193977149057
Energy: 0.6465874787444852
Energy: 0.6983718232391277
Energy: 0.6465753231371612
Energy: 0.6462096295247386
Energy: 0.64657532313671
Energy: 0.743272255165378
Energy: 0.7428976635787262
Energy: 0.7869819207358997
Energy: 0.7428976635787262
Energy: 0.750392920177663
Energy: 0.7428660658091892
Energy: 0.8003507186127816
Energy: 0.7428660658087379
Energy: 0.7431948161362713
Energy: 0.6668016188974017
Energy: 0.6678388916406797
Energy: 0.6668016188969507
Energy: 0.7431017356677077
Energy: 0.666747927578301
Energy: 0.666007684490873
Energy: 0.6667479275773984
Energy: 0.6672726066153233
Energy: 0.701752220968017
Energy: 0.6677547898573445
Energy: 0.7017522209684683
Energy: 0.635505366411022
Energy: 0.6733761251431295
Energy: 0.6679760183116382
Energy: 0.6733761251435808
Energy: 0.6670911901189328
Energy: 0.6673885117808716
Energy: 0.786233182832687
Energy: 0.6673885117813229
Energy: 0.6676164138562048
Energy: 0.6671082250268866
Energy: 0.6978307685280632
Energy: 0.6671082250268866
Energy: 0.7124265181701646
Energy: 0.6750035453579215
Energy: 0.712525362920351
Energy: 0.6750035453583626
Energy: 0.7438542608052835
Energy: 0.743452670385101
Energy: 0.7434811339962952
Energy: 0.7434526703855522
Energy: 0.6465406880524764
Energy: 0.6468059867701036
Energy: 0.743502925733122
Energy: 0.6468059867701036
Energy: 0.6468780649196924
Energy: 0.6466497583053182
Energy: 0.6663913903186304
Energy: 0.6466497583048672
Energy: 0.6453961233424367
Energy: 0.6468703700496689
Energy: 0.6988174045527624
Energy: 0.64687037005012
Energy: 0.6469264532277521
Energy: 0.646750617325089
Energy: 0.698059705223496
Energy: 0.6467506173255402
Energy: 0.6465732974695158
Energy: 0.646709358803631
Energy: 0.6981355844481757
Energy: 0.6467093588031797
Energy: 0.7877438891079475
Energy: 0.7437192253677213
Energy: 0.7434431952004676
Energy: 0.74371922536727

minimum gb energy = 0.6342477549989219 eV
minimum distance =  3.15725101198232 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.9177429807685428
Energy: 0.7092383761002158
Energy: 0.711599223223634
Energy: 0.6262775395415102
Energy: 0.7085164499255798
Energy: 0.662960442280707
Energy: 0.7091782162316657
Energy: 0.6629604422809194
Energy: 0.7087901054974212
Energy: 0.7090395678313189
Energy: 0.7155097945615896
Energy: 0.7090395678320508
Energy: 0.7088275510600713
Energy: 0.6634642351616412
Energy: 0.7079315491999384
Energy: 0.6634642351613343
Energy: 0.7184551723490499
Energy: 0.6629341526656416
Energy: 0.6189101666345441
Energy: 0.6629341526659484
Energy: 0.7078983936549399
Energy: 0.6640693906111305
Energy: 0.6200758627174687
Energy: 0.6640693906106111
Energy: 0.7906710400489181
Energy: 0.7088028088411432
Energy: 0.7090553236011673
Energy: 0.708802808841037
Energy: 0.7905677975403744
Energy: 0.7081356988028242
Energy: 0.7072192443101153
Energy: 0.708135698802411
Energy: 0.7086735899360921
Energy: 0.709616575037197
Energy: 0.7155163097554295
Energy: 0.7096165750375156
Energy: 0.707941130513755
Energy: 0.7087576463993926
Energy: 0.7088732116584218
Energy: 0.7087576463988733
Energy: 0.7184562026631367
Energy: 0.6653065810904137
Energy: 0.6209450778733495
Energy: 0.6653065810894812
Energy: 0.708659484766177
Energy: 0.6627288364325167
Energy: 0.6184568652638273
Energy: 0.6627288364321036
Energy: 0.790603346844102
Energy: 0.7081766353825077
Energy: 0.7074770828182316
Energy: 0.7081766353825077

minimum gb energy = 0.6184568652638273 eV
minimum distance =  3.16930011919074 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.8843050042095375
Energy: 0.7655970851194887
Energy: 0.7906543176026427
Energy: 0.7241244645130858
Energy: 0.6608500077079542
Energy: 0.6596800915640368
Energy: 0.7738042293541679
Energy: 0.6596800915655747
Energy: 0.6621676571857454
Energy: 0.6624530993905094
Energy: 0.7647799223972326
Energy: 0.662453099390894
Energy: 0.6619291538427816
Energy: 0.6610096400064425
Energy: 0.8137977245822204
Energy: 0.6610096400064425
Energy: 0.6594199881898565
Energy: 0.6596988874302203
Energy: 0.8127092319195945
Energy: 0.6596988874302203
Energy: 0.659181864284334
Energy: 0.6595997197754245
Energy: 0.8126521539238363
Energy: 0.6595997197769623
Energy: 0.7744919149637165
Energy: 0.7652320285122928
Energy: 0.774228264583517
Energy: 0.7652320285103705
Energy: 0.7741533177210529
Energy: 0.7647301466076029
Energy: 0.7649232292742445
Energy: 0.7647301466076029
Energy: 0.6868780265074064
Energy: 0.7205511353357456
Energy: 0.6964116331607055
Energy: 0.72055113533959
Energy: 0.662312137110557
Energy: 0.6964758298850182
Energy: 0.7652233418856152
Energy: 0.6964758298861715
Energy: 0.6858854721246795
Energy: 0.6858297852256838
Energy: 0.7405501082771895
Energy: 0.6858297852260682
Energy: 0.6957299501497805
Energy: 0.6870867578559731
Energy: 0.813085242017274
Energy: 0.6870867578559731
Energy: 0.7740881177089197
Energy: 0.6857955017359575
Energy: 0.696415826427244
Energy: 0.6857955017367262
Energy: 0.7745535072003186
Energy: 0.6865035703733419
Energy: 0.6868545964067443
Energy: 0.6865035703741108
Energy: 0.7648388108202304
Energy: 0.6973029968957044
Energy: 0.6886584461851706
Energy: 0.6973029968960889
Energy: 0.7160408296318708
Energy: 0.72416871611166
Energy: 0.695196893182719
Energy: 0.7241687161112755
Energy: 0.7649012677457071
Energy: 0.7223986058129992
Energy: 0.6869662861250708
Energy: 0.7223986058126147
Energy: 0.7651491191127027
Energy: 0.7661684777010254
Energy: 0.8143632704256766
Energy: 0.7661684777010254
Energy: 0.7737535943341199
Energy: 0.6597698264297949
Energy: 0.6913535169208106
Energy: 0.6597698264309482
Energy: 0.7645605875727953
Energy: 0.6631349943711011
Energy: 0.6611742744759869
Energy: 0.6631349943722545
Energy: 0.8142276782867692
Energy: 0.6603307405418084
Energy: 0.6601156094047168
Energy: 0.6603307405414239
Energy: 0.8127080781395881
Energy: 0.6594020418056571
Energy: 0.659720219136254
Energy: 0.6594020418060416
Energy: 0.8126755981587941
Energy: 0.6599318701731549
Energy: 0.6590971999235601
Energy: 0.6599318701731549
Energy: 0.7747409108718104
Energy: 0.7649941319985455
Energy: 0.7742715739684883
Energy: 0.764994131998161
Energy: 0.7656144270101004
Energy: 0.7646194169747088
Energy: 0.7741464154923322
Energy: 0.7646194169750932
Energy: 0.6957796224050053
Energy: 0.7235330091312387
Energy: 0.6861517432197737
Energy: 0.7235330091358346
Energy: 0.765346367844172
Energy: 0.7162979143005485
Energy: 0.6621003703005726
Energy: 0.716297914300164
Energy: 0.7398851128275522
Energy: 0.6861736335069832
Energy: 0.6862895020425717
Energy: 0.6861736335077522
Energy: 0.8132841799344825
Energy: 0.693102543561508
Energy: 0.6951291024118461
Energy: 0.6931025435618924
Energy: 0.6960675649381641
Energy: 0.685969581948352
Energy: 0.7740406063898708
Energy: 0.685969581948352
Energy: 0.6871488124902041
Energy: 0.6869928013869513
Energy: 0.7647928907900529
Energy: 0.6869928013869513
Energy: 0.6881104060617709
Energy: 0.6864886775912551
Energy: 0.7650348812240173
Energy: 0.6864886775916395
Energy: 0.695397730715291
Energy: 0.7240224843404365
Energy: 0.7162894230810495
Energy: 0.7240224843404365
Energy: 0.6870594146555576
Energy: 0.7235693986380248
Energy: 0.715770624347793
Energy: 0.723569398637256
Energy: 0.8142187852627291
Energy: 0.765804446608079
Energy: 0.7650096901317694
Energy: 0.7658044466088478

minimum gb energy = 0.6590971999235601 eV
minimum distance =  3.11485258300385 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.9597844096579632
Energy: 0.7348369283808783
Energy: 0.7357797724537734
Energy: 0.7010127505797725
Energy: 0.6743296340532692
Energy: 0.6710646956641206
Energy: 0.7414154563434734
Energy: 0.6710646956639335
Energy: 0.6746155835977122
Energy: 0.6748737140164469
Energy: 0.76027099795022
Energy: 0.6748737140168143
Energy: 0.6728500651147468
Energy: 0.6729010451421159
Energy: 0.8048182442931375
Energy: 0.6729010451418732
Energy: 0.6745884083714444
Energy: 0.6739318838367828
Energy: 0.8092919956599409
Energy: 0.6739318838364778
Energy: 0.7141343129228764
Energy: 0.6740601641975843
Energy: 0.7777516531253184
Energy: 0.6740601641974665
Energy: 0.74707385615292
Energy: 0.7604368603057224
Energy: 0.7706253855098427
Energy: 0.7604368603056046
Energy: 0.7126091252068919
Energy: 0.7590195058002631
Energy: 0.7589985468756756
Energy: 0.7590195058000135
Energy: 0.6991472852546293
Energy: 0.7593112865999957
Energy: 0.7594945418547009
Energy: 0.7593112865994481
Energy: 0.6892133782896172
Energy: 0.7061422243465046
Energy: 0.7593865254831873
Energy: 0.706142224346567
Energy: 0.699887082318446
Energy: 0.6575529512608045
Energy: 0.759015007374129
Energy: 0.6575529512609916
Energy: 0.7016184844710991
Energy: 0.6585021388093328
Energy: 0.7985725645332541
Energy: 0.6585021388084179
Energy: 0.7600763247980875
Energy: 0.7072391716921604
Energy: 0.6948372725336074
Energy: 0.7072391716921604
Energy: 0.7600244282158856
Energy: 0.6954327868929857
Energy: 0.694990598446882
Energy: 0.6954327868927431
Energy: 0.7725663382743484
Energy: 0.6956430913059624
Energy: 0.6956755318605757
Energy: 0.695643091306087
Energy: 0.7713414931105912
Energy: 0.6968305672029694
Energy: 0.6958839943673869
Energy: 0.6968305672029694
Energy: 0.809594653607097
Energy: 0.6949368113274723
Energy: 0.6951573160100488
Energy: 0.6949368113257048
Energy: 0.7441226267207126
Energy: 0.7433155383930705
Energy: 0.7720296592747994
Energy: 0.7433155383934309
Energy: 0.7387377004774709
Energy: 0.7389725855070236
Energy: 0.7126520241430869
Energy: 0.7389725855069612
Energy: 0.7385348183737823
Energy: 0.7200987800716669
Energy: 0.7352898749562415
Energy: 0.7200987800719095
Energy: 0.7385616576598734
Energy: 0.7252464824390417
Energy: 0.7010476268473301
Energy: 0.7252464824389239
Energy: 0.81114174260288
Energy: 0.7345309185947954
Energy: 0.7348265274540856
Energy: 0.734530918594733

minimum gb energy = 0.6575529512608045 eV
minimum distance =  3.10113981469007 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.1337543589808765
Energy: 0.7295989622658863
Energy: 0.7763927383965712
Energy: 0.6827708799253174
Energy: 0.6722666900017031
Energy: 0.7301859915297255
Energy: 0.7355744646153399
Energy: 0.7301859915280002
Energy: 0.6716016998086136
Energy: 0.6734953260437012
Energy: 0.7376072716917285
Energy: 0.6734953260437012
Energy: 0.6751844413139911
Energy: 0.6755717665828297
Energy: 0.8004007124057869
Energy: 0.6755717665806731
Energy: 0.670642797340985
Energy: 0.6711659470675245
Energy: 0.7881106528377861
Energy: 0.6711659470683871
Energy: 0.6763237905640361
Energy: 0.6709563472456246
Energy: 0.7869920192026304
Energy: 0.6709563472460558
Energy: 0.7752327348392181
Energy: 0.6721774915174857
Energy: 0.6745043438625444
Energy: 0.6721774915170545
Energy: 0.7346230140051249
Energy: 0.6705536589903026
Energy: 0.6695822563936495
Energy: 0.6705536589894399
Energy: 0.7345482939571865
Energy: 0.6745472565257093
Energy: 0.6733715451043495
Energy: 0.6745472565248467
Energy: 0.7839320749320584
Energy: 0.7682182035085824
Energy: 0.6705090138556744
Energy: 0.7682182035124641
Energy: 0.7358173155147598
Energy: 0.7289541467531498
Energy: 0.6738873706813051
Energy: 0.7289541467652262
Energy: 0.7307754000137577
Energy: 0.7317549505248432
Energy: 0.7760856580060111
Energy: 0.7317549505248432
Energy: 0.7302346295241088
Energy: 0.7297424955531713
Energy: 0.7302474382868317
Energy: 0.7297424955527401
Energy: 0.7306655437391748
Energy: 0.7158670449802438
Energy: 0.6817999197938129
Energy: 0.7158670449798125
Energy: 0.7298555350385747
Energy: 0.7298272823915155
Energy: 0.6752036382234712
Energy: 0.7298272823915155
Energy: 0.7669278481013078
Energy: 0.7316565463293395
Energy: 0.7306193847363184
Energy: 0.7316565463293395
Energy: 0.7253093680627543
Energy: 0.7289535726526011
Energy: 0.7361656316119266
Energy: 0.7289535726534637
Energy: 0.6704622567016059
Energy: 0.7679819583091463
Energy: 0.7394266255510856
Energy: 0.7679819583087149
Energy: 0.6734520958539414
Energy: 0.6746985556673947
Energy: 0.7752526785205327
Energy: 0.6746985556682574
Energy: 0.669543019190388
Energy: 0.6704659094015977
Energy: 0.7304405575391537
Energy: 0.6704659094015977
Energy: 0.6747248359822271
Energy: 0.6721229450097601
Energy: 0.7826807874816404
Energy: 0.6721229450097601
Energy: 0.7762852082996514
Energy: 0.6709586973483549
Energy: 0.6762914100057333
Energy: 0.6709586973461983
Energy: 0.777522035403522
Energy: 0.6712292760561412
Energy: 0.6706909545304852
Energy: 0.671229276057004
Energy: 0.8004341718266219
Energy: 0.6754219861778716
Energy: 0.6744285609312308
Energy: 0.6754219861774404
Energy: 0.7834491143505167
Energy: 0.6734386557593591
Energy: 0.6717839919955598
Energy: 0.6734386557597904
Energy: 0.7838447908244977
Energy: 0.7300501760481225
Energy: 0.6723043706824678
Energy: 0.7300501760468286
Energy: 0.7299924748969456
Energy: 0.7301919566518663
Energy: 0.9692217636150747
Energy: 0.7301919566716963
Energy: 0.7288959445690636
Energy: 0.7303055433034765
Energy: 0.7301200567464814
Energy: 0.7303055433021923
Energy: 0.7390709401472155
Energy: 0.714704587109578
Energy: 0.7302736307793463
Energy: 0.7147045871091466
Energy: 0.7286769526933078
Energy: 0.7381333501269116
Energy: 0.6817405559515941
Energy: 0.7381333501256176
Energy: 0.7680316930363306
Energy: 0.7294146922656018
Energy: 0.7297751083989511
Energy: 0.7294146922656018

minimum gb energy = 0.669543019190388 eV
minimum distance =  3.10502405713377 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.64559796558063
Energy: 0.7000372651077571
Energy: 0.6604720908460131
Energy: 0.6461123860678571
Energy: 0.6576857900800192
Energy: 0.7060411045369722
Energy: 0.6562746401149121
Energy: 0.7060411045371142
Energy: 0.6573180341218025
Energy: 0.6966531916254066
Energy: 0.6475790252629062
Energy: 0.696653191625557
Energy: 0.6514333531245452
Energy: 0.6564429018343718
Energy: 0.6580523615483055
Energy: 0.6564429018343718
Energy: 0.6576297204477713
Energy: 0.6579874909024606
Energy: 0.6492817368995571
Energy: 0.6579874909023187
Energy: 0.658137662617791
Energy: 0.7023025411836442
Energy: 0.6503146206739515
Energy: 0.7023025411836442
Energy: 0.6471452315817778
Energy: 0.6968016473156686
Energy: 0.6574273160894151
Energy: 0.6968016473156686
Energy: 0.6560107734995995
Energy: 0.6574305299514667
Energy: 0.6557721192466235
Energy: 0.6574305299517588
Energy: 0.6568453351837479
Energy: 0.6568396759699623
Energy: 0.6565506270533733
Energy: 0.6568396759698122

minimum gb energy = 0.64559796558063 eV
minimum distance =  3.13279081753339 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.8946377806188407
Energy: 0.620627207681577
Energy: 0.7281407620305635
Energy: 0.6058999906868003
Energy: 0.7237837703652998
Energy: 0.6220682651829366
Energy: 0.7294987715058696
Energy: 0.6220682651833439
Energy: 0.7291350146909725
Energy: 0.6681069349688918
Energy: 0.7313532781511682
Energy: 0.6681069349684844
Energy: 0.6327508385297794
Energy: 0.6192189672678154
Energy: 0.7235631953479444
Energy: 0.6192189672617228
Energy: 0.7229443377527012
Energy: 0.6193873188760362
Energy: 0.7286974895505746
Energy: 0.6193873188756288
Energy: 0.6192756305184846
Energy: 0.619700474507222
Energy: 0.7283885632831052
Energy: 0.619700474507222
Energy: 0.6195887099656718
Energy: 0.6190258119465266
Energy: 0.7242015669576475
Energy: 0.6190258119457118
Energy: 0.6251978033139002
Energy: 0.6225099990295515
Energy: 0.8135953808934301
Energy: 0.6225099990295515
Energy: 0.6348850328591963
Energy: 0.6408775450352042
Energy: 0.8132993230783601
Energy: 0.6408775450356117
Energy: 0.7316272983703132
Energy: 0.6075293799307812
Energy: 0.6073617226979547
Energy: 0.6075293799275219
Energy: 0.6339721878152009
Energy: 0.6071012931221135
Energy: 0.6070799109551616
Energy: 0.607101293121706
Energy: 0.8119718526826569
Energy: 0.6064555724053186
Energy: 0.607085964056467
Energy: 0.6064555724053186
Energy: 0.8123429872380584
Energy: 0.6068883061520219
Energy: 0.6070445665519422
Energy: 0.6068883061520219
Energy: 0.6324852065679434
Energy: 0.6396300396544515
Energy: 0.7302659313076262
Energy: 0.6396300396536553
Energy: 0.6197334395903723
Energy: 0.6197390983247713
Energy: 0.728760124616612
Energy: 0.6197390983251787
Energy: 0.6220410500064198
Energy: 0.6211804921488101
Energy: 0.7232258861693707
Energy: 0.6211804921488101
Energy: 0.619159824761175
Energy: 0.6192000692358992
Energy: 0.631069177105446
Energy: 0.6192000692358992
Energy: 0.7248562975239641
Energy: 0.6241579647777802
Energy: 0.6325479620500274
Energy: 0.6241579647777802
Energy: 0.7311060254333756
Energy: 0.6686650886719203
Energy: 0.7330880188954427
Energy: 0.6686650886723277
Energy: 0.7244561689132564
Energy: 0.6190473896450056
Energy: 0.6313944263271024
Energy: 0.6190473896441908
Energy: 0.727873660993722
Energy: 0.6199923382628608
Energy: 0.7238735056992899
Energy: 0.6199923382624534
Energy: 0.7289221238774969
Energy: 0.6192936898665538
Energy: 0.6194376859974174
Energy: 0.6192936898665538
Energy: 0.7236617193808641
Energy: 0.6193663993466325
Energy: 0.619106970147516
Energy: 0.6193663993462251
Energy: 0.8136086820448134
Energy: 0.6213562583969401
Energy: 0.6227966936602426
Energy: 0.6213562583969401
Energy: 0.8132428485946586
Energy: 0.6398959455896662
Energy: 0.6337062135572139
Energy: 0.6398959455892589
Energy: 0.6068265134503015
Energy: 0.607521574703474
Energy: 0.731686594912201
Energy: 0.6075215747038815
Energy: 0.6071487207514235
Energy: 0.6077502902869657
Energy: 0.6343094999881405
Energy: 0.6077502902873732
Energy: 0.6075665950667217
Energy: 0.6067304711986181
Energy: 0.6480532067790331
Energy: 0.6067304711982107
Energy: 0.6068675153116388
Energy: 0.6074441697162378
Energy: 0.8121742967485038
Energy: 0.6074441697162378
Energy: 0.7291607329601214
Energy: 0.6394854835902194
Energy: 0.6327143759137399
Energy: 0.6394854835906268
Energy: 0.7300046539580982
Energy: 0.6204264662722427
Energy: 0.6207733100975726
Energy: 0.6204264662718353
Energy: 0.7231800249044791
Energy: 0.6202864784640607
Energy: 0.6206581760673467
Energy: 0.6202864784632459
Energy: 0.6319281229990847
Energy: 0.6191926891534105
Energy: 0.6187331125413517
Energy: 0.6191926891534105

minimum gb energy = 0.6058999906868003 eV
minimum distance =  3.10568342590414 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.8338637303800415
Energy: 0.5947966925350672
Energy: 0.5952032241766739
Energy: 0.5820149536266335
Energy: 0.6795167138764119
Energy: 0.5964604989892002
Energy: 0.7465823447984153
Energy: 0.596460498988637
Energy: 0.6878294599499345
Energy: 0.6566807099350462
Energy: 0.7478446858553771
Energy: 0.6566807099344829
Energy: 0.6848846087248975
Energy: 0.6568590236728521
Energy: 0.7396476725592455
Energy: 0.6568590236728521
Energy: 0.679036719946499
Energy: 0.5990404910614224
Energy: 0.6780476159579385
Energy: 0.5990404910602958
Energy: 0.5989705399786708
Energy: 0.5991087808515868
Energy: 0.6778066210736231
Energy: 0.5991087808515868
Energy: 0.598986007279503
Energy: 0.598653792801015
Energy: 0.7403408037484883
Energy: 0.598653792801015
Energy: 0.6025887352775083
Energy: 0.6025119710483597
Energy: 0.8016904413058801
Energy: 0.6025119710483597
Energy: 0.6029275544169931
Energy: 0.6298468853431245
Energy: 0.801776392775567
Energy: 0.6298468853431245
Energy: 0.7977724762107526
Energy: 0.5739446938387619
Energy: 0.6479539701159543
Energy: 0.5739446938381986
Energy: 0.6047941092132392
Energy: 0.5734494350838141
Energy: 0.6476288651134733
Energy: 0.5734494350843773
Energy: 0.8607725308622182
Energy: 0.5726068715881385
Energy: 0.6471736990951953
Energy: 0.5726068715881385
Energy: 0.860826080420115
Energy: 0.5734103937877812
Energy: 0.6474596275561433
Energy: 0.5734103937883446
Energy: 0.6029701320060564
Energy: 0.6345621111360948
Energy: 0.7922499985220579
Energy: 0.6345621111360948
Energy: 0.6771423094764855
Energy: 0.6338364891283575
Energy: 0.7920897944303337
Energy: 0.6338364891294842
Energy: 0.6756254811618899
Energy: 0.7066982503638942
Energy: 0.7403978366637195
Energy: 0.7066982503638942
Energy: 0.599439246126294
Energy: 0.5994383440996127
Energy: 0.682830362851666
Energy: 0.5994383440996127
Energy: 0.6004918088843781
Energy: 0.602987505891502
Energy: 0.670930201861785
Energy: 0.602987505891502
Energy: 0.5990145967737759
Energy: 0.5987428971089497
Energy: 0.8017332064973056
Energy: 0.5987428971089497
Energy: 0.5996697673837775
Energy: 0.6031345870352854
Energy: 0.8016590341951902
Energy: 0.603134587036412
Energy: 0.7981937173180489
Energy: 0.5945602271080346
Energy: 0.7395353241073964
Energy: 0.5945602271085979
Energy: 0.7977544692411938
Energy: 0.5954465693030233
Energy: 0.5958956181863343
Energy: 0.5954465693030233
Energy: 0.6788260667861631
Energy: 0.594136286826754
Energy: 0.5944199162668296
Energy: 0.594136286826754
Energy: 0.8009978836947961
Energy: 0.5943575264673452
Energy: 0.5940972987068391
Energy: 0.5943575264673452

minimum gb energy = 0.5726068715881385 eV
minimum distance =  3.09518674621859 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.651020659957431
Energy: 0.576654692365455
Energy: 0.6999007304951124
Energy: 0.5653366808268562
Energy: 0.5754703554507221
Energy: 0.5773446587173173
Energy: 0.6701778078314585
Energy: 0.5773446587176655
Energy: 0.7514728399870655
Energy: 0.574562603939783
Energy: 0.6718107721347824
Energy: 0.5745626039394348
Energy: 0.7484009500748315
Energy: 0.6071353156753875
Energy: 0.6669221147334857
Energy: 0.6071353156760838
Energy: 0.6576809264947565
Energy: 0.5654952964693888
Energy: 0.7554974182695514
Energy: 0.5654952964686923
Energy: 0.5658822653091767
Energy: 0.5652919137930603
Energy: 0.75538627760892
Energy: 0.5652919137937567
Energy: 0.565911359617033
Energy: 0.5651038035333571
Energy: 0.5848922482367148
Energy: 0.5651038035337052
Energy: 0.5667008052345427
Energy: 0.5654495091542182
Energy: 0.6415461402551136
Energy: 0.5654495091542182
Energy: 0.7581795420792004
Energy: 0.5648296877532165
Energy: 0.7513667385940317
Energy: 0.5648296877532165
Energy: 0.6734248618079474
Energy: 0.6082746625229407
Energy: 0.6677014684046727
Energy: 0.6082746625218961
Energy: 0.7570891999730881
Energy: 0.5744891981133001
Energy: 0.5829834371860447
Energy: 0.5744891981139966
Energy: 0.7551795221370905
Energy: 0.5747224269552053
Energy: 0.6673705989860178
Energy: 0.5747224269562498
Energy: 0.7552292397864809
Energy: 0.5741797051593269
Energy: 0.5746892761643063
Energy: 0.5741797051579342
Energy: 0.6736199478083759
Energy: 0.5749891936347402
Energy: 0.5759693747548585
Energy: 0.5749891936347402
Energy: 0.7492167164292115
Energy: 0.5764266816382034
Energy: 0.5777845003412586
Energy: 0.5764266816382034
Energy: 0.7610331108677839
Energy: 0.5750380775809815
Energy: 0.5762250281182209
Energy: 0.5750380775816777
Energy: 0.5749070740445854
Energy: 0.5780267702582517
Energy: 0.6931098256576762
Energy: 0.5780267702582517
Energy: 0.5747553209684076
Energy: 0.5744944699373036
Energy: 0.7587689112873188
Energy: 0.5744944699386964
Energy: 0.5757673172308201
Energy: 0.5777225953502959
Energy: 0.6690251855095338
Energy: 0.5777225953495996
Energy: 0.5760203665272999
Energy: 0.5745089224494264
Energy: 0.6417921343814279
Energy: 0.5745089224483819
Energy: 0.6702635882973068
Energy: 0.5762670045430083
Energy: 0.5749936212638063
Energy: 0.57626700454266
Energy: 0.6704593895006346
Energy: 0.5765540530576171
Energy: 0.752683315471318
Energy: 0.576554053061447
Energy: 0.6671556714961768
Energy: 0.6058700142888741
Energy: 0.7484368393660616
Energy: 0.6058700142892223
Energy: 0.6927670435802191
Energy: 0.5663764426269609
Energy: 0.6576999495388217
Energy: 0.5663764426262644
Energy: 0.7553533891069847
Energy: 0.5648838113945236
Energy: 0.565424148463602
Energy: 0.5648838113948718
Energy: 0.6673885411834697
Energy: 0.5656538270701323
Energy: 0.5668456753268272
Energy: 0.5656538270697843
Energy: 0.6356604603164191
Energy: 0.5650211532167839
Energy: 0.565635033178917
Energy: 0.5650211532167839
Energy: 0.668873419065782
Energy: 0.5656116867954344
Energy: 0.756309605656354
Energy: 0.5656116867943899
Energy: 0.669050104661735
Energy: 0.6065100606054391
Energy: 0.6728056156493822
Energy: 0.6065100606050909
Energy: 0.5836893897091806
Energy: 0.5745795003151118
Energy: 0.7563630021549756
Energy: 0.5745795003144155
Energy: 0.6672106170712947
Energy: 0.5742700132722534
Energy: 0.7550975063823895
Energy: 0.5742700132712087
Energy: 0.5745792159132649
Energy: 0.5742819625144054
Energy: 0.7551497867802547
Energy: 0.5742819625137092
Energy: 0.5747501069990187
Energy: 0.5744423581617408
Energy: 0.6742869374029462
Energy: 0.5744423581613927
Energy: 0.578820536563254
Energy: 0.5773869746004869
Energy: 0.748280402910919
Energy: 0.5773869746004869
Energy: 0.6768867494386239
Energy: 0.5932857766707073
Energy: 0.7609689787675461
Energy: 0.5932857766707073
Energy: 0.6927157659580595
Energy: 0.5763439185726827
Energy: 0.5748617832213531
Energy: 0.5763439185723345
Energy: 0.7579603439622129
Energy: 0.5743654217129311
Energy: 0.5744600882360408
Energy: 0.5743654217129311
Energy: 0.7510955653529652
Energy: 0.5751454875340738
Energy: 0.5753915947482212
Energy: 0.5751454875337257

minimum gb energy = 0.5648296877532165 eV
minimum distance =  3.10967061379088 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.1203180389169258
Energy: 0.5268164517826939
Energy: 0.5280084014761023
Energy: 0.5234425431421846
Energy: 0.5285523725882161
Energy: 0.5777810118685484
Energy: 0.5280601347553459
Energy: 0.5777810118691903
Energy: 0.5232357598175501
Energy: 0.5782088671153224
Energy: 0.5286998223955104
Energy: 0.5782088671154154
Energy: 0.52328736353466
Energy: 0.5742046004244913
Energy: 0.5262614334547273
Energy: 0.5742046004256819
Energy: 0.5259949148853393
Energy: 0.5269909508183954
Energy: 0.5336783612819898
Energy: 0.5269909508183954
Energy: 0.5269600583413314
Energy: 0.5260146132419137
Energy: 0.5332676643716846
Energy: 0.5260146132419137
Energy: 0.5261035503488566
Energy: 0.5255120412047771
Energy: 0.5269652706312585
Energy: 0.5255120412046943
Energy: 0.5258954772394403
Energy: 0.5266863285115533
Energy: 0.5223226876951178
Energy: 0.5266863285122882
Energy: 0.5273326018892243
Energy: 0.5253749937186722
Energy: 0.5226166945474365
Energy: 0.5253749937186722
Energy: 0.528123793539775
Energy: 0.57384883429291
Energy: 0.5284282479614467
Energy: 0.57384883429291
Energy: 0.5271218115368432
Energy: 0.5730252258553267
Energy: 0.5224513346784153
Energy: 0.5730252258553267
Energy: 0.5238228104062674
Energy: 0.5254988119686826
Energy: 0.5271306823044059
Energy: 0.5254988119685895
Energy: 0.5327727509474955
Energy: 0.5267943320730526
Energy: 0.5260167019902411
Energy: 0.526794332073239
Energy: 0.5265824609087003
Energy: 0.5251695402168768
Energy: 0.5254158603374449
Energy: 0.5251695402170528
Energy: 0.5225308546789963
Energy: 0.5270189960074758
Energy: 0.52798720263208
Energy: 0.5270189960074758

minimum gb energy = 0.5223226876951178 eV
minimum distance =  3.13514001505163 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.9788612710482744
Energy: 0.48624673635620563
Energy: 0.6315908160771619
Energy: 0.4824296355592725
Energy: 0.5887523219616737
Energy: 0.4851302310200354
Energy: 0.5895340545190411
Energy: 0.4851302310219446
Energy: 0.48774434077769047
Energy: 0.4847074443243633
Energy: 0.5913338473709118
Energy: 0.4847074443251269
Energy: 0.6948442602797272
Energy: 0.4841756887733415
Energy: 0.5904155335950256
Energy: 0.48417568877143236
Energy: 0.5920899160701633
Energy: 0.48540259302527955
Energy: 0.5912275100678323
Energy: 0.48540259302146116
Energy: 0.5910623606224337
Energy: 0.48558473503051386
Energy: 0.5896085745417938
Energy: 0.4855847350320413
Energy: 0.5910387175768623
Energy: 0.48490276234855056
Energy: 0.5894060863808246
Energy: 0.48490276234855056
Energy: 0.5899403655307209
Energy: 0.48482528523190865
Energy: 0.5895834665107207
Energy: 0.484825285233436
Energy: 0.48443816267352346
Energy: 0.48388531362417964
Energy: 0.5919533028371768
Energy: 0.4838853136237978
Energy: 0.48443720462905926
Energy: 0.4840062421797739
Energy: 0.5916403567158208
Energy: 0.48400624217901017
Energy: 0.4860575460373341
Energy: 0.4848491636082096
Energy: 0.48689160035040396
Energy: 0.4848491636078278
Energy: 0.5897632632765619
Energy: 0.48366646519492534
Energy: 0.5917357451244329
Energy: 0.4836664651918707
Energy: 0.5912306061807735
Energy: 0.5126314101483224
Energy: 0.5889800243150848
Energy: 0.5126314101483224
Energy: 0.5903212292713514
Energy: 0.5124508673379983
Energy: 0.6882194407860002
Energy: 0.512450867342181
Energy: 0.5899716479833654
Energy: 0.4857639528463696
Energy: 0.5910208750818338
Energy: 0.4857639528452241
Energy: 0.5901103191758507
Energy: 0.4855859555990767
Energy: 0.48643069001033484
Energy: 0.485585955598313
Energy: 0.589206874696467
Energy: 0.48455189125641734
Energy: 0.4849158705728127
Energy: 0.4845518912571809
Energy: 0.49130460353666267
Energy: 0.48471391637624606
Energy: 0.48582588005698657
Energy: 0.48471391637395506
Energy: 0.6878090940308103
Energy: 0.48386140564312724
Energy: 0.5885006865978808
Energy: 0.48386140564580016
Energy: 0.591989357264068
Energy: 0.4840867434946708
Energy: 0.5925001002858322
Energy: 0.48408674349696185
Energy: 0.7317684632103959
Energy: 0.4846952494075058
Energy: 0.5889597526474387
Energy: 0.48469524940979686
Energy: 0.5918861965334685
Energy: 0.48479780087172986
Energy: 0.5891649106989783
Energy: 0.48479780086943886
Energy: 0.5887132748987276
Energy: 0.48579628594334345
Energy: 0.5918147585984831
Energy: 0.48579628594181606
Energy: 0.48745704329294876
Energy: 0.4841201957299806
Energy: 0.6945575893401963
Energy: 0.4841201957276896
Energy: 0.5884729217184261
Energy: 0.4840688950761822
Energy: 0.5899388292492462
Energy: 0.48406889507656403
Energy: 0.48530924375264717
Energy: 0.48415824440972227
Energy: 0.590179010078797
Energy: 0.484158244410486
Energy: 0.48461624278830107
Energy: 0.4840161137349782
Energy: 0.5906535584062216
Energy: 0.48401611373574194
Energy: 0.4845169564116425
Energy: 0.4842172145568755
Energy: 0.48914435316448673
Energy: 0.48421721455802097
Energy: 0.5885263077501846
Energy: 0.4845750857398209
Energy: 0.6882984354578794
Energy: 0.4845750857367662
Energy: 0.5919387261976383
Energy: 0.5125292036348343
Energy: 0.5884851480430134
Energy: 0.5125292036348343
Energy: 0.5891906843319872
Energy: 0.5137184574689758
Energy: 0.7318290191085095
Energy: 0.5137184574685941
Energy: 0.590055785966221
Energy: 0.4851924789944244
Energy: 0.5883754571300109
Energy: 0.4851924789951881
Energy: 0.5898374787590519
Energy: 0.4842727046793456
Energy: 0.4841935234109965
Energy: 0.48427270468010913
Energy: 0.694322447076258
Energy: 0.4842099215334481
Energy: 0.4845284507636439
Energy: 0.48420992153535725
Energy: 0.6878751819370041
Energy: 0.4840207759390529
Energy: 0.48471543318723254
Energy: 0.48402077593943466

minimum gb energy = 0.4824296355592725 eV
minimum distance =  3.13056667378465 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.9644380348028347
Energy: 0.4478700944720177
Energy: 0.44763878186561085
Energy: 0.4439137566794742
Energy: 0.6172520520562921
Energy: 0.44872604520471665
Energy: 0.6279288457249153
Energy: 0.44872604520471665
Energy: 0.7099740294048142
Energy: 0.4476693260839713
Energy: 0.6264990137265141
Energy: 0.44766932608383686
Energy: 0.7096814285931169
Energy: 0.5003003416442557
Energy: 0.622592568935999
Energy: 0.5003003416441213
Energy: 0.6162627007383558
Energy: 0.43995798853415724
Energy: 0.7034565338893717
Energy: 0.4399579885342916
Energy: 0.5320215946176764
Energy: 0.43953461748804706
Energy: 0.43828193789675346
Energy: 0.43953461748792005
Energy: 0.5319076675563219
Energy: 0.43935931805801065
Energy: 0.7867887959389337
Energy: 0.43935931805892886
Energy: 0.5366483937815837
Energy: 0.43735713256727543
Energy: 0.5360380264228302
Energy: 0.4373571325683877
Energy: 0.5311855682484281
Energy: 0.4372871622709104
Energy: 0.7122150065380842
Energy: 0.43728716227078357
Energy: 0.5307051556638579
Energy: 0.4373063237594442
Energy: 0.6133099092580122
Energy: 0.4373063237595786
Energy: 0.5421416195595941
Energy: 0.5418807031093518
Energy: 0.8601255865927361
Energy: 0.5418807031090234
Energy: 0.7055061977869598
Energy: 0.4372604205126998
Energy: 0.4370590456770813
Energy: 0.4372604205126998
Energy: 0.7055931201064615
Energy: 0.4369694958001212
Energy: 0.7099688126124978
Energy: 0.4369694957990686
Energy: 0.7055926707776294
Energy: 0.49174607458461067
Energy: 0.7097562024053007
Energy: 0.4917460745852676
Energy: 0.7034565338891701
Energy: 0.49102340775266234
Energy: 0.6164343744160635
Energy: 0.491023407752931
Energy: 0.6168203300368086
Energy: 0.4919259986790331
Energy: 0.5320213977522632
Energy: 0.4919259986792346
Energy: 0.7921405141163589
Energy: 0.4912196458940202
Energy: 0.5318866035815883
Energy: 0.491219645894147
Energy: 0.5360372042736198
Energy: 0.44826066674097087
Energy: 0.4525347086594497
Energy: 0.4482606667422848
Energy: 0.7122150065507601
Energy: 0.44750526389287604
Energy: 0.44797621171841
Energy: 0.447505263892346
Energy: 0.7066837106099048
Energy: 0.44765056964365646
Energy: 0.45145710225793667
Energy: 0.4476505696432608

minimum gb energy = 0.4369694957990686 eV
minimum distance =  3.11992139050412 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.8704030700378542
Energy: 0.3860530068357864
Energy: 0.3859028797395093
Energy: 0.3854430528656692
Energy: 0.7972219314843636
Energy: 0.3860269386865131
Energy: 0.533718207916741
Energy: 0.3860269386865131
Energy: 0.8566295621502623
Energy: 0.385316469821705
Energy: 0.532280934686784
Energy: 0.3853164698211919
Energy: 0.732136091096302
Energy: 0.38677345207742203
Energy: 0.6278434919724696
Energy: 0.38677345209537645
Energy: 0.6709137075330828
Energy: 0.4294151152983469
Energy: 0.7951308050776636
Energy: 0.42941511529732096
Energy: 0.7335866986786259
Energy: 0.428492279168443
Energy: 0.7967142340171919
Energy: 0.428492279168443
Energy: 0.7323280822002673
Energy: 0.38255527444317633
Energy: 0.6723781229908434
Energy: 0.3825552743765121
Energy: 0.5220310605575507
Energy: 0.3807838437961511
Energy: 0.8523344229484584
Energy: 0.38078384380076796
Energy: 0.5244603971978049
Energy: 0.3814203465606025
Energy: 0.6706507130450567
Energy: 0.3814203465590635
Energy: 0.5224332899174308
Energy: 0.38131752702805377
Energy: 0.9120982105333006
Energy: 0.38131752702856675
Energy: 0.45645156554991895
Energy: 0.3805331720313267
Energy: 0.953193885521667
Energy: 0.38053317203235265
Energy: 0.4561696642930409
Energy: 0.3816247105602811
Energy: 0.9121437254715933
Energy: 0.38162471056079406
Energy: 0.45691030649465075
Energy: 0.3812668820807999
Energy: 0.6706357459665422
Energy: 0.38126688208028686
Energy: 0.4613498714285719
Energy: 0.3812519181290661
Energy: 0.9102274195285661
Energy: 0.38125191813315834
Energy: 0.6019663830142676
Energy: 0.3799839423541409
Energy: 0.6737314579399617
Energy: 0.3799839423541409
Energy: 0.6009057612108697
Energy: 0.3805425550575891
Energy: 0.8567238036777
Energy: 0.38054255505707607
Energy: 0.6708913626857469
Energy: 0.3816451801776633
Energy: 0.856022859543051
Energy: 0.38164518017612437
Energy: 0.606002711817327
Energy: 0.4268586351624751
Energy: 0.6705323878859646
Energy: 0.4268586351614491
Energy: 0.7881204598763691
Energy: 0.4228299696936975
Energy: 0.735283217382678
Energy: 0.4228299696936975
Energy: 0.6713664709353332
Energy: 0.4229319368246556
Energy: 0.7337291139485295
Energy: 0.42293193682414265
Energy: 0.8523291398975951
Energy: 0.42305036013492775
Energy: 0.5290091710950741
Energy: 0.42305037869710055
Energy: 0.7973321931926327
Energy: 0.38478531108910285
Energy: 0.4592507419668472
Energy: 0.3847853110896158
Energy: 0.7354344136630782
Energy: 0.3853593160771096
Energy: 0.5290666434667085
Energy: 0.3853593160776226
Energy: 0.8523458481243603
Energy: 0.38680772973930316
Energy: 0.38527755757689197
Energy: 0.38680772973725125
Energy: 0.7887524077458427
Energy: 0.3852305774961801
Energy: 0.3857984221729667
Energy: 0.3852305774961801
Energy: 0.8569805241624463
Energy: 0.3866516932341558
Energy: 0.3853568452133022
Energy: 0.3866516932341558

minimum gb energy = 0.3799839423541409 eV
minimum distance =  3.1290539443227 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.0041978075939486
Energy: 0.34009421808287643
Energy: 0.34088244813043767
Energy: 0.34393015781460673
Energy: 0.8923325127448332
Energy: 0.3394537866686361
Energy: 0.4613192816117045
Energy: 0.3394537866690567
Energy: 0.9915893125270157
Energy: 0.33915910680972305
Energy: 0.46460177318178736
Energy: 0.33915910680972305
Energy: 0.7915420785427237
Energy: 0.3413419555211109
Energy: 0.5895443979321854
Energy: 0.3413419554000469
Energy: 0.795579232464211
Energy: 0.3384827432054117
Energy: 0.6905400430767327
Energy: 0.3384827432054117
Energy: 0.7940016597011563
Energy: 0.33927992664010054
Energy: 0.689066830855881
Energy: 0.3392799266409417
Energy: 0.7958804632506189
Energy: 0.376065666320225
Energy: 0.7955533430508923
Energy: 0.376065666320225
Energy: 0.6925907308935555
Energy: 0.377223246286801
Energy: 0.691335941274597
Energy: 0.3772232462767171
Energy: 0.5839718666286201
Energy: 0.339265786384823
Energy: 0.8931983906812468
Energy: 0.3392657863873464
Energy: 0.583190882236651
Energy: 0.3386280791363706
Energy: 0.7962277345159587
Energy: 0.3386280791409872
Energy: 0.4658866018173435
Energy: 0.340583974947012
Energy: 0.8906379080760749
Energy: 0.34058397494659143
Energy: 0.4622836942267549
Energy: 0.3386180026305361
Energy: 0.892392589743221
Energy: 0.3386180026305361
Energy: 0.46129282339032046
Energy: 0.3393307116132746
Energy: 0.8916317006604986
Energy: 0.33933071161369516
Energy: 0.33981636618435124
Energy: 0.33950902085641216
Energy: 0.8904549697764296
Energy: 0.33950902085641216
Energy: 0.3400444198744054
Energy: 0.3392630618276754
Energy: 0.8922585918388491
Energy: 0.3392630618276754
Energy: 0.3394661318871323
Energy: 0.3401931486430951
Energy: 0.9928530994535404
Energy: 0.34019314863974015
Energy: 0.4644899437141714
Energy: 0.3401470241124752
Energy: 0.9881345507570851
Energy: 0.3401470241124752
Energy: 0.46291887763794526
Energy: 0.3389550386850845
Energy: 0.7956023824227766
Energy: 0.338955038685505
Energy: 0.4626637412114148
Energy: 0.3396783030714128
Energy: 0.7947707807609515
Energy: 0.3396783030789828
Energy: 0.6891163201739915
Energy: 0.33902023639073287
Energy: 0.7938204036727108
Energy: 0.33902023639704126
Energy: 0.6886966972322458
Energy: 0.3390057963861215
Energy: 0.7961800152934564
Energy: 0.3390057963827571
Energy: 0.6896070808720933
Energy: 0.37554920079936915
Energy: 0.7973976277853083
Energy: 0.37554920080021026
Energy: 0.893297872700299
Energy: 0.37437922146936387
Energy: 0.792919974121635
Energy: 0.37437922146936387
Energy: 0.6913784027405532
Energy: 0.3757044062405168
Energy: 0.6889993267359642
Energy: 0.3757044063266934
Energy: 0.8923372640721159
Energy: 0.3388455402311382
Energy: 0.5865944769498577
Energy: 0.3388455402311382
Energy: 0.8935553020094142
Energy: 0.340111876898636
Energy: 0.688283020446708
Energy: 0.34011187690536493
Energy: 0.8906851291914337
Energy: 0.3398948560436727
Energy: 0.46228810077723653
Energy: 0.33989485604408365
Energy: 0.8935753858531319
Energy: 0.3389747497830148
Energy: 0.463013595909791
Energy: 0.3389747497825943
Energy: 0.8905631617897906
Energy: 0.3399195553370777
Energy: 0.46413886468294474
Energy: 0.3399195553370777
Energy: 0.8931353183311086
Energy: 0.33917294868733305
Energy: 0.3398832671365769
Energy: 0.33917294868733305
Energy: 0.892689277476485
Energy: 0.33901131721274735
Energy: 0.3388896277030025
Energy: 0.33901131721274735
Energy: 0.9880998381971328
Energy: 0.3393157110659899
Energy: 0.3403005837586324
Energy: 0.3393157110680927

minimum gb energy = 0.3384827432054117 eV
minimum distance =  3.14366605323777 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.8835670807425158
Energy: 0.3090712174300783
Energy: 0.48290732055727326
Energy: 0.30883905147971247
Energy: 0.9608280870342454
Energy: 0.3084252359614548
Energy: 0.4120717784673754
Energy: 0.3084252359621673
Energy: 1.0441008576796675
Energy: 0.30814660593264437
Energy: 0.41506671326413264
Energy: 0.30814660592836907
Energy: 0.8745916044785234
Energy: 0.30979034472865874
Energy: 0.6125511855944605
Energy: 0.30979034473790557
Energy: 0.8778122905761643
Energy: 0.3068082724337743
Energy: 0.6104086242982476
Energy: 0.3068082724337743
Energy: 0.8778298461358395
Energy: 0.30722992037034486
Energy: 0.608497484367834
Energy: 0.30722992037034486
Energy: 0.7012004046301207
Energy: 0.30794107040686053
Energy: 0.7885748454309143
Energy: 0.3079410704011602
Energy: 0.7902297335933217
Energy: 0.3393424998494698
Energy: 0.6111570444691635
Energy: 0.3393424998519637
Energy: 0.7006606165369549
Energy: 0.33737610949228297
Energy: 0.7875362555229835
Energy: 0.33737610949335184
Energy: 0.6997617466378869
Energy: 0.33741240288165775
Energy: 0.8788939099158495
Energy: 0.33741240288094526
Energy: 0.6119172054450784
Energy: 0.3088231872587691
Energy: 0.7872644565973663
Energy: 0.30882318726411323
Energy: 0.5184339573101526
Energy: 0.30658351366797365
Energy: 0.9598555855133671
Energy: 0.3065835136686862
Energy: 0.6093869186844871
Energy: 0.30749568161077184
Energy: 0.9607770809441641
Energy: 0.30749568160578405
Energy: 0.4158971147075143
Energy: 0.307873627173363
Energy: 0.7914462898094307
Energy: 0.3078736271708691
Energy: 0.41323458258570056
Energy: 0.30691851181037855
Energy: 0.8783383493188788
Energy: 0.3069185118100223
Energy: 0.413989873575722
Energy: 0.30720444241802736
Energy: 0.961270274490575
Energy: 0.30720444241838357
Energy: 0.31037492835254715
Energy: 0.3087019450077256
Energy: 0.9634132619745712
Energy: 0.30870194501128834
Energy: 0.3069272312324229
Energy: 0.3069873863657233
Energy: 0.9599971747957846
Energy: 0.30698738636714845
Energy: 0.3079393438579428
Energy: 0.30853805364112163
Energy: 0.878342303399163
Energy: 0.3085380536418342
Energy: 0.4148427596861055
Energy: 0.30742083010133003
Energy: 1.0466352210423837
Energy: 0.3074208301009737
Energy: 0.4138300335098651
Energy: 0.30693881012873636
Energy: 0.9594346918098161
Energy: 0.30693881012909263
Energy: 0.4157909812465545
Energy: 0.30908153507989317
Energy: 0.8801972982295241
Energy: 0.3090815350795369
Energy: 0.6086188593156464
Energy: 0.3077881189834359
Energy: 0.8762278622456502
Energy: 0.30778811898379216
Energy: 0.6105063598537523
Energy: 0.30667860781890566
Energy: 0.8788327721709946
Energy: 0.3066786078196182
Energy: 0.6116185135200157
Energy: 0.30845880369223855
Energy: 0.7033820826599421
Energy: 0.3084588036972102
Energy: 0.7892364166995723
Energy: 0.33729096433237027
Energy: 0.8790229068899883
Energy: 0.3372909642219741
Energy: 0.6095605124800725
Energy: 0.3376364622811243
Energy: 0.7884817196849859
Energy: 0.33763646228041183
Energy: 0.79130532432939
Energy: 0.3398739593634525
Energy: 0.7033977472536865
Energy: 0.3398739593698654
Energy: 0.7895727286807761
Energy: 0.3076637559513827
Energy: 0.7887533956380279
Energy: 0.30766375595530177
Energy: 0.788907505346222
Energy: 0.30734121163219313
Energy: 0.6093056863288413
Energy: 0.307341211630768
Energy: 0.877982238940168
Energy: 0.3067126144710762
Energy: 0.5184082690770709
Energy: 0.3067126144757078
Energy: 0.7914461529860107
Energy: 0.309472208023876
Energy: 0.611949941538668
Energy: 0.3094722080302889
Energy: 0.961281959389833
Energy: 0.30844954612118075
Energy: 0.41376234749116886
Energy: 0.30844954612118075
Energy: 0.960136015670949
Energy: 0.30805075433259566
Energy: 0.4155229601670217
Energy: 0.30805075433330825
Energy: 0.9580368925508804
Energy: 0.3077819206509627
Energy: 0.30969006001527166
Energy: 0.30778192068016097
Energy: 0.9594232075904315
Energy: 0.3087583201823693
Energy: 0.3080820743909489
Energy: 0.3087583201823693
Energy: 1.044010903096275
Energy: 0.30765776094047026
Energy: 0.3083089124542925
Energy: 0.30765776094082653

minimum gb energy = 0.30658351366797365 eV
minimum distance =  3.14215162130827 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.9856854485641176
Energy: 0.2761299216461163
Energy: 0.2761117109936902
Energy: 0.2766983202758732
Energy: 1.006155245580765
Energy: 0.27729302106032644
Energy: 0.37097292398802767
Energy: 0.27729302106032644
Energy: 0.9672330461652375
Energy: 0.27705203879304857
Energy: 0.37143239409330164
Energy: 0.27705203879273954
Energy: 0.8155638521698244
Energy: 0.27652085273094945
Energy: 0.5431889562419076
Energy: 0.27652085256509557
Energy: 0.9347281307631048
Energy: 0.2758522647786523
Energy: 0.5440778239871956
Energy: 0.2758522647786523
Energy: 0.8180262433777555
Energy: 0.27655109068372874
Energy: 0.5432994929449655
Energy: 0.27655109068156575
Energy: 0.8166555396980231
Energy: 0.27741251992953647
Energy: 0.7036749186036707
Energy: 0.27741251994189636
Energy: 0.8570310401015699
Energy: 0.27593811568285526
Energy: 0.5812397940866132
Energy: 0.27593811568161924
Energy: 0.8176941643253204
Energy: 0.27599755817772165
Energy: 0.7018093350127725
Energy: 0.27599755817772165
Energy: 0.8177380928888407
Energy: 0.33101204010957663
Energy: 0.855965603379048
Energy: 0.33101204011637453
Energy: 0.7023472680451054
Energy: 0.2756877569197125
Energy: 0.7396097713710484
Energy: 0.27568775694535214
Energy: 0.6615557125263539
Energy: 0.27548550382678955
Energy: 0.8560744284083363
Energy: 0.27548561030639307
Energy: 0.7021796574455562
Energy: 0.27565615649028186
Energy: 0.8945141807497169
Energy: 0.2756561563846542
Energy: 0.5433162280127024
Energy: 0.27640940820439674
Energy: 0.738371600399341
Energy: 0.2764094082047058
Energy: 0.5015244481852795
Energy: 0.2754606533805206
Energy: 1.0037943419752904
Energy: 0.27546065338082965
Energy: 0.5445123212476729
Energy: 0.2759920205519278
Energy: 0.8926919981750489
Energy: 0.2759920205525458
Energy: 0.36330105000202456
Energy: 0.2756862106794086
Energy: 0.8926777964961033
Energy: 0.2756862106744647
Energy: 0.36613544707047313
Energy: 0.2754309959451461
Energy: 0.9332331915427832
Energy: 0.2754309959457641
Energy: 0.36335444801172895
Energy: 0.27594211500231863
Energy: 1.038811959698926
Energy: 0.27594211500293664
Energy: 0.32196777033137036
Energy: 0.27661209459842223
Energy: 1.0388629773210925
Energy: 0.27661209459749525
Energy: 0.3219710322630956
Energy: 0.27466997145267974
Energy: 0.9325010251299339
Energy: 0.27466997145267974
Energy: 0.3218867472902252
Energy: 0.2745677053704963
Energy: 0.930191225539439
Energy: 0.27456770537111425
Energy: 0.41539185289496633
Energy: 0.27470546321474076
Energy: 1.075634653621453
Energy: 0.27470546321504974
Energy: 0.41560901747528134
Energy: 0.27543730881311224
Energy: 1.0768129858115338
Energy: 0.2754373088121852
Energy: 0.4152852777134628
Energy: 0.27510833025443115
Energy: 0.8154930260469764
Energy: 0.27510833025443115
Energy: 0.537033572178647
Energy: 0.2746444201644639
Energy: 0.9347141199464337
Energy: 0.2746444201641549
Energy: 0.5395828727815718
Energy: 0.27538423795721867
Energy: 0.9689606977722058
Energy: 0.2753842379578367
Energy: 0.53783275576689
Energy: 0.2770929642447495
Energy: 0.8167421527404264
Energy: 0.27709315037611687
Energy: 0.7022916846197155
Energy: 0.2752262143881923
Energy: 0.9316619640186152
Energy: 0.2752262140376356
Energy: 0.702792107096569
Energy: 0.2753367170076848
Energy: 0.8183334844150186
Energy: 0.2753367280630018
Energy: 0.783354689929182
Energy: 0.32987882197600515
Energy: 0.66010995298352
Energy: 0.329878821671468
Energy: 0.739578495133162
Energy: 0.3308087583762939
Energy: 0.8222314965880398
Energy: 0.33080875923368935
Energy: 0.8576626494621672
Energy: 0.38080712827518903
Energy: 0.6622612661489191
Energy: 0.3808071282739531
Energy: 0.9342280771438146
Energy: 0.2758595963265558
Energy: 0.662867356440282
Energy: 0.27585959632717383
Energy: 0.7383041908893596
Energy: 0.27761189125657754
Energy: 0.543078302649135
Energy: 0.2776118895606354
Energy: 1.0062912223962268
Energy: 0.275913900361268
Energy: 0.5436884891093333
Energy: 0.275913900360959
Energy: 1.0045914312901079
Energy: 0.27653645306480024
Energy: 0.5429903761392789
Energy: 0.27653645306727215
Energy: 0.8928041769318644
Energy: 0.2765058983939467
Energy: 0.36970177567497564
Energy: 0.27650589839734563
Energy: 0.9707078651187692
Energy: 0.27598298998020476
Energy: 0.37014421579899726
Energy: 0.27598298997958676
Energy: 1.038921938523977
Energy: 0.276318644213236
Energy: 0.37127432683455897
Energy: 0.27631864421230895
Energy: 0.891555565613042
Energy: 0.2766826791202795
Energy: 0.27654072698657317
Energy: 0.27668267916660794
Energy: 1.0057517826115774
Energy: 0.2760825605183746
Energy: 0.27620327475231843
Energy: 0.2760825605183746
Energy: 0.9665709639000988
Energy: 0.27730563459692387
Energy: 0.276033121092657
Energy: 0.27730563459785085

minimum gb energy = 0.2745677053704963 eV
minimum distance =  3.1318003874639 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.004713670432265627
Energy: 0.24812482717248974
Energy: 0.8209222962693835
Energy: 0.004961566468721511
Energy: 0.6240608029363918
Energy: 0.06168809619299254
Energy: 0.6253163476382045
Energy: 0.06168809619299254
Energy: 0.005015279033324403
Energy: 0.06202900459389726
Energy: 0.625193273912669
Energy: 0.0620290045941216
Energy: 0.0054878131035962785
Energy: 0.06288316463772067
Energy: 0.6253973898573244
Energy: 0.06288316463772067
Energy: 0.6248766507833909
Energy: 0.062286739636029785
Energy: 0.6250586903267809
Energy: 0.062286739636029785
Energy: 0.004937174434941068
Energy: 0.06194670791081131
Energy: 0.6247348465420102
Energy: 0.06194670791057378

minimum gb energy = 0.004713670432265627 eV
minimum distance =  3.44290887221533 Angstroms
sigma value = 1