Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.070949114859104
cohesive_energy=3.369388139873114
mass=26.981538
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=[0.0, 1.8327458733989397e-19, 2.8562964160298395e-19, 3.2371978889970002e-19, 3.5526184029325797e-19, 3.81962113898868e-19, 4.0488445500150593e-19, 4.2474984308647194e-19, 4.42069372500012e-19, 4.57227565634286e-19, 4.705176208133159e-19, 4.82171853649032e-19, 4.923777188076119e-19, 5.01290627422554e-19, 5.090387536245779e-19, 5.15727841071528e-19, 5.21450816008176e-19, 5.26289389442856e-19, 5.3031245497083e-19, 5.33577690950922e-19, 5.36141173565322e-19, 5.3805096811305e-19, 5.39345526833322e-19, 5.39792534114208e-19, 5.39448066137898e-19, 5.38489964510766e-19, 5.369246379393479e-19, 5.34651149295702e-19, 5.31493259150088e-19, 5.272330714802819e-19, 5.216158402014779e-19, 5.1437079746253e-19, 5.051951318796119e-19, 4.93723547180172e-19, 4.79505831730056e-19, 4.619956432970699e-19, 4.40508852458496e-19, 4.14197907774948e-19, 3.81987748725012e-19, 3.4251171863988593e-19, 2.94013831928706e-19, 2.34201373828218e-19, 1.60042225058577e-19, 6.74705419756812e-20, -4.90764326937174e-20, -1.97410591781676e-19, -3.8907738033046197e-19, -6.41996983773702e-19, -9.853402320866339e-19, -1.469586904476696e-18, -2.18871747794106e-18, -3.3353151860631597e-18, -5.35777479469404e-18, -9.499161067088939e-18]
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: 0.010247616257006417
Energy: 0.045809881487270436
Energy: 0.49703051307928553
Energy: 0.045809881487270436
Energy: 0.045809881487270436
Energy: 0.49620599875429383
Energy: 0.04580988148680334
Energy: 0.49620599875429383
Energy: 0.4970305130797526
Energy: 0.04580988148680334
Energy: 0.010247616257006417
Energy: 0.04580988148680334
Energy: 0.045809881487270436
Energy: 0.49620599875429383
Energy: 0.04580988148680334
Energy: 0.49620599875429383

minimum gb energy = 0.010247616257006417 eV
minimum distance =  2.72105718428955 Angstroms
sigma value = 1


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

Energy: 0.6021907553241335
Energy: 0.5985683187112063
Energy: 0.5986921423007168
Energy: 0.598568319888149
Energy: 0.5980394411750466
Energy: 0.584394548760961
Energy: 0.6283949726202823
Energy: 0.584394548760361
Energy: 0.5973170848872789
Energy: 0.5980798218835316
Energy: 0.5606487474929611
Energy: 0.5980798218865306
Energy: 0.6112298964124065
Energy: 0.5723606728352454
Energy: 0.6190341682758864
Energy: 0.5723606728286472
Energy: 0.5960155238225283
Energy: 0.5738358385004053
Energy: 0.5760709277518135
Energy: 0.5738358384950069
Energy: 0.6111927812122347
Energy: 0.5689060429362048
Energy: 0.5760959952924524
Energy: 0.5689060429350051
Energy: 0.5817311747775916
Energy: 0.5702611466358122
Energy: 0.5987219726173151
Energy: 0.5702611466358122
Energy: 0.5684237121760389
Energy: 0.5693877404671571
Energy: 0.588788333707156
Energy: 0.5693877404659575
Energy: 0.5820094519213411
Energy: 0.5506177001622532
Energy: 0.5918910165829925
Energy: 0.5506177001622532
Energy: 0.5829059270107705
Energy: 0.5702800066361274
Energy: 0.5637967975240542
Energy: 0.5702800066798878
Energy: 0.5831443863705135
Energy: 0.5474863188818554
Energy: 0.5813734464059457
Energy: 0.5474863188818554
Energy: 0.574171219135004
Energy: 0.557517048228551
Energy: 0.5872789380761989
Energy: 0.557517048228551
Energy: 0.5847916721971856
Energy: 0.5700691248836521
Energy: 0.6067952897065987
Energy: 0.5700691248830524
Energy: 0.6154246175853147
Energy: 0.5694285438163015
Energy: 0.5793113994315228
Energy: 0.5694285438222998
Energy: 0.5984491145248625
Energy: 0.5748527814573785
Energy: 0.576209783619725
Energy: 0.5748527814585782
Energy: 0.5723317666171213
Energy: 0.575913001605634
Energy: 0.6001849979759258
Energy: 0.5759130015696443
Energy: 0.5959635929176127
Energy: 0.6071960328468793
Energy: 0.5545880765464493
Energy: 0.6071960328684731
Energy: 0.5987623743501244
Energy: 0.5781753212349869
Energy: 0.6307251122173202
Energy: 0.5781753212331874
Energy: 0.5999250982191475
Energy: 0.5983766362001702
Energy: 0.5976160437408234
Energy: 0.5983766361947718
Energy: 0.5798415493835658
Energy: 0.5918283654232572
Energy: 0.5963463390525569
Energy: 0.5918283654244569
Energy: 0.5626988232703579
Energy: 0.573718599560005
Energy: 0.573000118523476
Energy: 0.5737185995594052
Energy: 0.5668952554592744
Energy: 0.5740924406451109
Energy: 0.6106992662447195
Energy: 0.5740924407242608
Energy: 0.5994133439654363
Energy: 0.5711852124169485
Energy: 0.5661218324775559
Energy: 0.5711852124169485
Energy: 0.5907514020243526
Energy: 0.564235637032911
Energy: 0.565870113961827
Energy: 0.5642356370359103
Energy: 0.5818023707859801
Energy: 0.5523737735638207
Energy: 0.5790046991045629
Energy: 0.5523737735644206
Energy: 0.5759255865052906
Energy: 0.5460667558782336
Energy: 0.5828671473030906
Energy: 0.5460667558758343
Energy: 0.578786778714395
Energy: 0.5482050053288758
Energy: 0.5816929541264864
Energy: 0.5482050053288758
Energy: 0.5856568925953873
Energy: 0.5502464434663173
Energy: 0.5807609358841956
Energy: 0.5502464434651176
Energy: 0.5851975934550063
Energy: 0.5704898139389194
Energy: 0.5837772530143645
Energy: 0.5704898139389194
Energy: 0.583437639808775
Energy: 0.567582093964117
Energy: 0.613578653156801
Energy: 0.567582093964117
Energy: 0.5753039060770921
Energy: 0.5746125113191065
Energy: 0.5891691634195813
Energy: 0.5746125113179068
Energy: 0.599627535412794
Energy: 0.5760732353950899
Energy: 0.5816269275121876
Energy: 0.5760732353986888
Energy: 0.5550688221953687
Energy: 0.5626902714068347
Energy: 0.5961478562753416
Energy: 0.562690271406235

minimum gb energy = 0.5460667558758343 eV
minimum distance =  2.49973634605544 Angstroms
sigma value = 1


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

Energy: 0.6363544484477682
Energy: 0.6225889975451825
Energy: 0.6228080683602468
Energy: 0.6225889974658803
Energy: 0.5838709883171821
Energy: 0.6059331390523511
Energy: 0.5838371928600419
Energy: 0.6059331390523511
Energy: 0.6207787424438876
Energy: 0.6235591616552757
Energy: 0.6268941507402238
Energy: 0.6235591616539079
Energy: 0.6397454652258951
Energy: 0.5956977821303253
Energy: 0.5834845729540454
Energy: 0.5956977821303253
Energy: 0.6076370414017195
Energy: 0.5993015332779884
Energy: 0.5842999603838771
Energy: 0.5993015332766205
Energy: 0.6395925428401158
Energy: 0.5916850358910608
Energy: 0.5855864313187742
Energy: 0.5916850358863045
Energy: 0.6089215305445771
Energy: 0.5940704456595216
Energy: 0.6084202476314099
Energy: 0.5940704456608893
Energy: 0.5925393587809796
Energy: 0.59366544687996
Energy: 0.613025480017382
Energy: 0.5936654468792762
Energy: 0.61769757912042
Energy: 0.5793830504559324
Energy: 0.5951179264357762
Energy: 0.5793830504559324
Energy: 0.6113405564456212
Energy: 0.5762401695969535
Energy: 0.6006662493143203
Energy: 0.5762401695976374
Energy: 0.6182757840211686
Energy: 0.591787642137717
Energy: 0.6104376253486102
Energy: 0.591787642137717
Energy: 0.6093545959885708
Energy: 0.591505748702076
Energy: 0.6391638024586435
Energy: 0.5915057487000241
Energy: 0.5989941818556106
Energy: 0.5966754742225125
Energy: 0.6205222387405399
Energy: 0.5966754742211449
Energy: 0.5830142391901973
Energy: 0.5928050999591937
Energy: 0.5739925639541594
Energy: 0.5928050999591937
Energy: 0.576685793761206
Energy: 0.6325794213030598
Energy: 0.6211543686906553
Energy: 0.6325794213016921
Energy: 0.6585098424478709
Energy: 0.5928650626462282
Energy: 0.5843795697645021
Energy: 0.5928650626434927
Energy: 0.620896726663246
Energy: 0.6218772500575933
Energy: 0.5998935058976967
Energy: 0.6218772500575933
Energy: 0.6185023724013168
Energy: 0.5937031099701005
Energy: 0.6086547005994409
Energy: 0.5937031099714684
Energy: 0.6278847376082545
Energy: 0.5963525397344265
Energy: 0.5832336081833359
Energy: 0.5963525397330587
Energy: 0.6372245878036423
Energy: 0.5923520625477758
Energy: 0.5814965424853348
Energy: 0.592352062546408
Energy: 0.602379651431561
Energy: 0.5924314964573556
Energy: 0.6111885023345693
Energy: 0.5924314964566717
Energy: 0.586065594053766
Energy: 0.5902741976590576
Energy: 0.6150903978257648
Energy: 0.5902741976590576
Energy: 0.6201052581336487
Energy: 0.5788106132167895
Energy: 0.5921279361831651
Energy: 0.5788106132167895
Energy: 0.6120355909238343
Energy: 0.575518383765142
Energy: 0.6032024441049979
Energy: 0.575518383765142
Energy: 0.6107908299719431
Energy: 0.5929759905207094
Energy: 0.6106001566190404
Energy: 0.5929759905220773
Energy: 0.6035766848878965
Energy: 0.592165709404475
Energy: 0.6368825672145955
Energy: 0.5921657094051589
Energy: 0.5986158011821318
Energy: 0.5961443916339055
Energy: 0.6118002727811692
Energy: 0.5961443916339055
Energy: 0.5850210986835588
Energy: 0.5930336139682482
Energy: 0.6003535267269626
Energy: 0.5930336139661965
Energy: 0.5715930998046219
Energy: 0.5828569866220041
Energy: 0.6328762839582717
Energy: 0.5828569866220041

minimum gb energy = 0.5715930998046219 eV
minimum distance =  2.50577272520879 Angstroms
sigma value = 25


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

Energy: 0.658243630539094
Energy: 0.6822922512702271
Energy: 0.6435966149976475
Energy: 0.6822922512694319
Energy: 0.6445575071626733
Energy: 0.6300404501131036
Energy: 0.6037385885451202
Energy: 0.6300404501131036
Energy: 0.6432548424893293
Energy: 0.6449039213040665
Energy: 0.6468414122376978
Energy: 0.6449039213048615
Energy: 0.6423538733178518
Energy: 0.6171439942896869
Energy: 0.6480106307997612
Energy: 0.617143994290482
Energy: 0.6415404512919421
Energy: 0.6536216724523769
Energy: 0.6035394941104261
Energy: 0.6536216724523769
Energy: 0.6433288901997088
Energy: 0.63425755893244
Energy: 0.6090853757355457
Energy: 0.6342588714465179
Energy: 0.661375918496887
Energy: 0.621182350213874
Energy: 0.6410886094154374
Energy: 0.621182350213874
Energy: 0.6079613771399891
Energy: 0.6154604132500637
Energy: 0.5974695280651846
Energy: 0.6154604456187268
Energy: 0.640565149957484
Energy: 0.6187791049797357
Energy: 0.6263761243914466
Energy: 0.6187791049797357
Energy: 0.6660261471316521
Energy: 0.6198893470906254
Energy: 0.6338012931524646
Energy: 0.6198893470906254
Energy: 0.5935996746645885
Energy: 0.6192111122632271
Energy: 0.620515045811121
Energy: 0.6192111122624321
Energy: 0.5933689181760753
Energy: 0.6185538312439942
Energy: 0.6463236126957698
Energy: 0.6185538312431992
Energy: 0.643390942782574
Energy: 0.6575327795576488
Energy: 0.5918546936497657
Energy: 0.657532779559239
Energy: 0.6463651149853605
Energy: 0.6162860592670496
Energy: 0.688112230867664
Energy: 0.6162860592678447
Energy: 0.6002973741753792
Energy: 0.6444176158381224
Energy: 0.6456160481888243
Energy: 0.6444176158389173
Energy: 0.6407388586032651
Energy: 0.6164032154918623
Energy: 0.6444893171140665
Energy: 0.6164032154918623
Energy: 0.6020472966905689
Energy: 0.6523077137376991
Energy: 0.6158281589763945
Energy: 0.6523077137384942
Energy: 0.600065848109693
Energy: 0.6167574636552394
Energy: 0.6428853503391478
Energy: 0.6167574636552394
Energy: 0.6392924903983893
Energy: 0.6227501129802884
Energy: 0.599446547241851
Energy: 0.6227501129802884
Energy: 0.6176947582050233
Energy: 0.6235171751433355
Energy: 0.6080631948999885
Energy: 0.6235171751433355
Energy: 0.6221988825470144
Energy: 0.6204277325689547
Energy: 0.637431012265098
Energy: 0.6204277325689547
Energy: 0.6312236429171557
Energy: 0.6186243033115696
Energy: 0.667690329028707
Energy: 0.6186243033115696
Energy: 0.6197068857784944
Energy: 0.6172681474028903
Energy: 0.594284900116738
Energy: 0.6172681474036852
Energy: 0.6462143234179063
Energy: 0.6170019657485455
Energy: 0.593266713567104
Energy: 0.6170019657485455
Energy: 0.59432945158922
Energy: 0.6115469339946793
Energy: 0.6619042982692155
Energy: 0.6115469339946793

minimum gb energy = 0.5918546936497657 eV
minimum distance =  2.52904298909415 Angstroms
sigma value = 9


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

Energy: 0.8401582901727188
Energy: 0.717044205672841
Energy: 0.6695349126946831
Energy: 0.717044205672841
Energy: 0.6154412746193936
Energy: 0.6541918255521528
Energy: 0.6150204459225396
Energy: 0.6541918255521528
Energy: 0.6685692683295207
Energy: 0.7165285700532996
Energy: 0.6644738003214663
Energy: 0.7165285700523512
Energy: 0.6668802801588992
Energy: 0.6431214339042078
Energy: 0.6161687252969987
Energy: 0.6431214339032593
Energy: 0.6707490928576154
Energy: 0.6829498142009144
Energy: 0.6168792853193882
Energy: 0.6829498141990175
Energy: 0.697306564433166
Energy: 0.673274693615391
Energy: 0.623937457272458
Energy: 0.6732746936134941
Energy: 0.6159033040827283
Energy: 0.6616521991220846
Energy: 0.6618910221861473
Energy: 0.6616521991220846
Energy: 0.6458909248956779
Energy: 0.6491039196366861
Energy: 0.6958150337431217
Energy: 0.6491039196660653
Energy: 0.64052598059957
Energy: 0.6824116184297088
Energy: 0.66990732575942
Energy: 0.6824116184306572
Energy: 0.6163028062522444
Energy: 0.6432480525025718
Energy: 0.6424596249890302
Energy: 0.6432480525025718
Energy: 0.6103395147220243
Energy: 0.7267287992515566
Energy: 0.6675481530859775
Energy: 0.7267287992515566
Energy: 0.7176586432723006
Energy: 0.643183639443235
Energy: 0.6160948216118888
Energy: 0.643183639443235
Energy: 0.6681646520738207
Energy: 0.7138057379143294
Energy: 0.6643369865595212
Energy: 0.7138057379143294
Energy: 0.6650341483410195
Energy: 0.6672566169306859
Energy: 0.6642679582300507
Energy: 0.6672566169306859
Energy: 0.6641274440670689
Energy: 0.6800715158252716
Energy: 0.6150709655615919
Energy: 0.6800715158252716
Energy: 0.6963905675704488
Energy: 0.6405864921429494
Energy: 0.6135465203585838
Energy: 0.6405864921429494
Energy: 0.6137803297965599
Energy: 0.6623416463548555
Energy: 0.6696895630133708
Energy: 0.6623416463548555
Energy: 0.611215060430679
Energy: 0.6628436841323337
Energy: 0.6957959405843408
Energy: 0.6628436841323337
Energy: 0.6403147214156722
Energy: 0.681247392235837
Energy: 0.6515217400123636
Energy: 0.6812473922367854
Energy: 0.6185899277547742
Energy: 0.6818456701986395
Energy: 0.6106187264311544
Energy: 0.6818456701986395
Energy: 0.6108230494771063
Energy: 0.6711217987332425
Energy: 0.6127409253833128
Energy: 0.671121798734191

minimum gb energy = 0.6103395147220243 eV
minimum distance =  2.52400530463388 Angstroms
sigma value = 25


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

Energy: 0.7107005227625117
Energy: 0.7395656971052029
Energy: 0.6807718921740048
Energy: 0.7395656971052029
Energy: 0.6208415815938635
Energy: 0.6382489886944611
Energy: 0.621036924613683
Energy: 0.6382489886944611
Energy: 0.6792788986861145
Energy: 0.738773581753255
Energy: 0.7679762225233544
Energy: 0.738773581753255
Energy: 0.6061578819655079
Energy: 0.6620140274900785
Energy: 0.6206936492273953
Energy: 0.6620140274900785
Energy: 0.6561024050877515
Energy: 0.7169066795632393
Energy: 0.6226948585682247
Energy: 0.7169066795632393
Energy: 0.6061708574712218
Energy: 0.6625104544796092
Energy: 0.6332182598472937
Energy: 0.6625104544760905
Energy: 0.6443061746701848
Energy: 0.717525244595347
Energy: 0.641679267872907
Energy: 0.717525244595347
Energy: 0.6225529335802622
Energy: 0.7150315063333046
Energy: 0.6230098256789637
Energy: 0.7150315063333046
Energy: 0.6793020414136609
Energy: 0.7494311269819021
Energy: 0.6021971691675978
Energy: 0.7494311269842477
Energy: 0.6236471226977969
Energy: 0.6070702085229788
Energy: 0.6022815036098543
Energy: 0.6070702085229788
Energy: 0.7187125821783007
Energy: 0.7390305846851484
Energy: 0.680566634461341
Energy: 0.7390305846851484
Energy: 0.7037324550736539
Energy: 0.6071962526423594
Energy: 0.6056993148513261
Energy: 0.6071962526423594
Energy: 0.6235105040557661
Energy: 0.7170306109472115
Energy: 0.6561796282451692
Energy: 0.7170306109472115
Energy: 0.6214032737990265
Energy: 0.6619688251052496
Energy: 0.6064668259965971
Energy: 0.6619688251040766
Energy: 0.6587738878161336
Energy: 0.6617989587797122
Energy: 0.6238119719344387
Energy: 0.6617989587797122
Energy: 0.6223962028157509
Energy: 0.717650288184163
Energy: 0.6374714423439449
Energy: 0.717650288184163
Energy: 0.6018273132963315
Energy: 0.6071248357929498
Energy: 0.6074979161449345
Energy: 0.607124835791777

minimum gb energy = 0.6018273132963315 eV
minimum distance =  2.59028097700761 Angstroms
sigma value = 17


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

Energy: 1.005445767222813
Energy: 0.7810132427521232
Energy: 0.7355346707726876
Energy: 0.7810132427527875
Energy: 0.6904179880613148
Energy: 0.6499296620856417
Energy: 0.6965685313443568
Energy: 0.6499332972416981
Energy: 0.6541548838738158
Energy: 0.6855386202404197
Energy: 0.8988109116138587
Energy: 0.686368443363426
Energy: 0.6490834062260145
Energy: 0.6650461094535791
Energy: 0.6905515941307456
Energy: 0.665046109460886
Energy: 0.7455548160778509
Energy: 0.7125178310460616
Energy: 0.6670836613540653
Energy: 0.7125178310460616
Energy: 0.6882391301873882
Energy: 0.6887367123877951
Energy: 0.6870118349716786
Energy: 0.6887367123884593
Energy: 0.6879359363154836
Energy: 0.6845907143546439
Energy: 0.6525776060788645
Energy: 0.6845907825787747
Energy: 0.6783999176187511
Energy: 0.6479930480607095
Energy: 0.6790445977700783
Energy: 0.6479930480653592
Energy: 0.7438022657143128
Energy: 0.7660960013830647
Energy: 0.7212529344226234
Energy: 0.7660960013843933
Energy: 0.7167160856422965
Energy: 0.6799690215362619
Energy: 0.7762759549673759
Energy: 0.6799690240122391
Energy: 0.7388693716371091
Energy: 0.6928630322373419
Energy: 0.6272533493600292
Energy: 0.6928630322380062
Energy: 0.7548274744776512
Energy: 0.6469070604288729
Energy: 0.6426445541119963
Energy: 0.6469070605490455
Energy: 0.7024435440063499
Energy: 0.661126433171149
Energy: 0.6421109389613678
Energy: 0.661126433171149
Energy: 0.700492554453261
Energy: 0.6849458908221847
Energy: 0.6309464139841264
Energy: 0.6849458908221847
Energy: 0.720119538514392
Energy: 0.743498438195921
Energy: 0.8110096822229983
Energy: 0.7434984381952567
Energy: 0.7359839529036619
Energy: 0.7767973912126919
Energy: 0.773239073794219
Energy: 0.7767973912126919
Energy: 0.7703804850511066
Energy: 0.6857101644034896
Energy: 0.6718615227498461
Energy: 0.6857101649565853
Energy: 0.7206187800610262
Energy: 0.6565402871846416
Energy: 0.6536373431959364
Energy: 0.6565402871122663
Energy: 0.6881070422805813
Energy: 0.7136344465989746
Energy: 0.6890791420649449
Energy: 0.7136344465989746
Energy: 0.6676238715431516
Energy: 0.7112041191116442
Energy: 0.6840046138376499
Energy: 0.7112041191123084
Energy: 0.6478786339144125
Energy: 0.6832719039126691
Energy: 0.7433177761215538
Energy: 0.6832719039100121
Energy: 0.6537553411517596
Energy: 0.6852385645401804
Energy: 0.8087630342394478
Energy: 0.6852385645581156
Energy: 0.690101722174295
Energy: 0.686400162077969
Energy: 0.6841416454733324
Energy: 0.686400162182199
Energy: 0.756747246601437
Energy: 0.765884040425564
Energy: 0.7346077370982598
Energy: 0.7658840404242355
Energy: 0.6835123097720556
Energy: 0.6487173524208869
Energy: 0.679668209871422
Energy: 0.6487173516241247
Energy: 0.6433484194045935
Energy: 0.6783138974564454
Energy: 0.6898993510655037
Energy: 0.6783138974557812
Energy: 0.6450736826920214
Energy: 0.6906261055995324
Energy: 0.6793730181865257
Energy: 0.6906261056021894
Energy: 0.6446664899587906
Energy: 0.6797911826587394
Energy: 0.8111804426090405
Energy: 0.6797911826613964
Energy: 0.6839718549676959
Energy: 0.6533717118020301
Energy: 0.6887938836968227
Energy: 0.653371719896527
Energy: 0.6788979635235125
Energy: 0.7656390661029627
Energy: 0.7337156338068904
Energy: 0.7656390660877148

minimum gb energy = 0.6272533493600292 eV
minimum distance =  2.54024764061411 Angstroms
sigma value = 53


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

Energy: 1.0365098985125116
Energy: 0.803147535974252
Energy: 0.7162233370417149
Energy: 0.803147535974252
Energy: 0.8535231800437537
Energy: 0.6692368826329625
Energy: 0.6299098726204029
Energy: 0.6692368826329625
Energy: 0.7598793296549718
Energy: 0.8045730522030747
Energy: 0.80999878465871
Energy: 0.8045730522030747
Energy: 0.7738269794686798
Energy: 0.6915316481795432
Energy: 0.6318567654429061
Energy: 0.6915316481795432
Energy: 0.8499540177978336
Energy: 0.5604777828803522
Energy: 0.649388615312198
Energy: 0.5604777805049168
Energy: 0.7911117566649374
Energy: 0.5752794124087032
Energy: 0.6504987195221598
Energy: 0.5752794124117617
Energy: 0.8552869253798522
Energy: 0.5615022826546906
Energy: 0.6299926352322054
Energy: 0.5615022826546906
Energy: 0.8239669716406787
Energy: 0.5659380860851456
Energy: 0.6375587767827178
Energy: 0.565938086086675
Energy: 0.7706438865152996
Energy: 0.7784694165209342
Energy: 0.8111713973986754
Energy: 0.7784694165209342
Energy: 0.8055605345515264
Energy: 0.5760357286566546
Energy: 0.6669672394967117
Energy: 0.5760357286352449
Energy: 0.8167373204381404
Energy: 0.7612927708071192
Energy: 0.6512469052929882
Energy: 0.7612927708071192
Energy: 0.7760406403940535
Energy: 0.7202350172973105
Energy: 0.6504582635857511
Energy: 0.7202350173049569
Energy: 0.7558167204711609
Energy: 0.5601891933627415
Energy: 0.7258199320999512
Energy: 0.5601891934483456

minimum gb energy = 0.5601891933627415 eV
minimum distance =  2.56768151776047 Angstroms
sigma value = 9


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

Energy: 0.8498500883995771
Energy: 0.7850398396367776
Energy: 0.7621932314442088
Energy: 0.7850398395728704
Energy: 0.6826838949797447
Energy: 0.6359093966251221
Energy: 0.8388459359150179
Energy: 0.6359093963207394
Energy: 0.6434771562537096
Energy: 0.6812050635576268
Energy: 0.7890723797877326
Energy: 0.6812050635072779
Energy: 0.6355093781235515
Energy: 0.6400454359118988
Energy: 0.824949087282756
Energy: 0.6400454359837559
Energy: 0.6453287608605988
Energy: 0.6537890655088004
Energy: 0.8511905038906044
Energy: 0.6537890655065364
Energy: 0.6725534420418882
Energy: 0.6470075016909909
Energy: 0.849214012237106
Energy: 0.6470075018584517
Energy: 0.878136958766498
Energy: 0.7864119617378369
Energy: 0.7710332623250867
Energy: 0.7864119617384029
Energy: 0.8506384605328154
Energy: 0.6963231131301747
Energy: 0.7623463769183589
Energy: 0.6963231131301747
Energy: 0.6932022233669664
Energy: 0.7605725211910549
Energy: 0.6743300708780117
Energy: 0.7605725211910549
Energy: 0.6226790730001286
Energy: 0.6826674563358122
Energy: 0.7673286654519126
Energy: 0.6826674563358122
Energy: 0.6767071615817434
Energy: 0.6984964564753446
Energy: 0.8528419135157778
Energy: 0.6984964564719487
Energy: 0.7030739257595653
Energy: 0.7009944852510432
Energy: 0.8570665981780967
Energy: 0.7009944859565446
Energy: 0.8700716340729018
Energy: 0.6959706483546927
Energy: 0.7112911683892406
Energy: 0.6959706483546927
Energy: 0.8834331557934031
Energy: 0.7128240343217536
Energy: 0.6917756245159833
Energy: 0.7128240303450436
Energy: 0.7681842429830998
Energy: 0.7012476836662356
Energy: 0.679947269929261
Energy: 0.7012476836679338
Energy: 0.7250962232835507
Energy: 0.7060126377935877
Energy: 0.6789154988050332
Energy: 0.7060126377913236
Energy: 0.76638379031139
Energy: 0.6845937638309192
Energy: 0.6785522818400549
Energy: 0.6845937638495975
Energy: 0.7618015549234279
Energy: 0.7867734886829206
Energy: 0.849573357698445
Energy: 0.7867734886834866
Energy: 0.8300910503376999
Energy: 0.6378033178880466
Energy: 0.7107639885066052
Energy: 0.6378015861607049
Energy: 0.7889816658669052
Energy: 0.686335391296798
Energy: 0.6467018608326826
Energy: 0.6863353913064202
Energy: 0.8322880816205098
Energy: 0.6349157978316909
Energy: 0.6331622047191993
Energy: 0.6349152741110036
Energy: 0.8495792876157249
Energy: 0.6524499343309231
Energy: 0.640644099609567
Energy: 0.6524499343275528
Energy: 0.8516483752068505
Energy: 0.6868557650707943
Energy: 0.6687707182057383
Energy: 0.6868557650696623
Energy: 0.7716949538746932
Energy: 0.785268197990137
Energy: 0.8779779865911319
Energy: 0.7852681979329961
Energy: 0.7559711980637462
Energy: 0.6960272224874418
Energy: 0.8505330768904089
Energy: 0.6960272224801094
Energy: 0.6743545967177286
Energy: 0.7146364898288621
Energy: 0.6754728191666095
Energy: 0.7146364898299941
Energy: 0.7676658023136211
Energy: 0.6899188270160767
Energy: 0.6219822936344189
Energy: 0.6899188270183407
Energy: 0.8511174218926185
Energy: 0.6982728871970991
Energy: 0.6773924786017123
Energy: 0.6982728872004952
Energy: 0.8541865596273962
Energy: 0.7352079487394637
Energy: 0.7067500824037163
Energy: 0.7352079487394637
Energy: 0.7203235286086037
Energy: 0.691457204575052
Energy: 0.8565430944935277
Energy: 0.6914572045761841
Energy: 0.6942095932358547
Energy: 0.7174720854062459
Energy: 0.7941943559977137
Energy: 0.7174720855171317
Energy: 0.6948615023218476
Energy: 0.691916139129733
Energy: 0.7675785137529523
Energy: 0.6919161391280351
Energy: 0.6787491335142058
Energy: 0.6799929491760839
Energy: 0.72592193824664
Energy: 0.6799929491749518
Energy: 0.6758340012991916
Energy: 0.6913819600871347
Energy: 0.7186968785430131
Energy: 0.6913819600882667
Energy: 0.8515593792279429
Energy: 0.7621479262277586
Energy: 0.7615164958846802
Energy: 0.7621479294123941

minimum gb energy = 0.6219822936344189 eV
minimum distance =  2.51853253017304 Angstroms
sigma value = 73


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

Energy: 0.792238933394744
Energy: 0.7933440525812968
Energy: 0.7349934175278239
Energy: 0.7933440525803988
Energy: 0.6849489660721227
Energy: 0.6412510543784605
Energy: 0.8069454568013062
Energy: 0.6412510543784605
Energy: 0.6606647872538269
Energy: 0.6795557164455771
Energy: 0.7072029647236706
Energy: 0.6795557164554553
Energy: 0.6498801991650934
Energy: 0.6651462882422503
Energy: 0.798987791401101
Energy: 0.6651462882422503
Energy: 0.6499296079261362
Energy: 0.6428012074084881
Energy: 0.8154852634451569
Energy: 0.6428012075180051
Energy: 0.68951880372814
Energy: 0.6453048162884175
Energy: 0.8146759802051241
Energy: 0.645304818507332
Energy: 0.8344852948612488
Energy: 0.7663841311227049
Energy: 0.7552152329964061
Energy: 0.7663841311236029
Energy: 0.8288600696083874
Energy: 0.6702743822672136
Energy: 0.7351850888375083
Energy: 0.6702743822690097
Energy: 0.7256020749247802
Energy: 0.6676824647450798
Energy: 0.7110800641095665
Energy: 0.6676824647450798
Energy: 0.6218234715188278
Energy: 0.666710744131485
Energy: 0.7319889072140993
Energy: 0.666710744131485
Energy: 0.7258253242851469
Energy: 0.6690987215337066
Energy: 0.8394499013464296
Energy: 0.6690987215337066
Energy: 0.7389256531562955
Energy: 0.7336713836930956
Energy: 0.7926927799014614
Energy: 0.7336713837182399
Energy: 0.7281954324887995
Energy: 0.6430464826070558
Energy: 0.6891722759804934
Energy: 0.6430464826079537
Energy: 0.7077311257630463
Energy: 0.6806881624522503
Energy: 0.6546795776519986
Energy: 0.6806881626784481
Energy: 0.7996996997911803
Energy: 0.6651997334297769
Energy: 0.6408045494354189
Energy: 0.6651997334297769
Energy: 0.7974291351174719
Energy: 0.7001170691380955
Energy: 0.671452260992027
Energy: 0.7001170691380955
Energy: 0.8142661752613383
Energy: 0.6409492139922291
Energy: 0.6929237025870711
Energy: 0.6409492139922291
Energy: 0.7472901610462505
Energy: 0.7949521370965359
Energy: 0.8316389255016917
Energy: 0.7949521370965359
Energy: 0.7324532135602969
Energy: 0.668061358763147
Energy: 0.8041589854166034
Energy: 0.668061358763147
Energy: 0.7095205873894856
Energy: 0.6662606588957983
Energy: 0.7132759274571041
Energy: 0.6662606588966964
Energy: 0.7333931743800614
Energy: 0.6799933908995035
Energy: 0.622606230010612
Energy: 0.6799933908995035
Energy: 0.8144647260449555
Energy: 0.683165731358933
Energy: 0.7318595775953581
Energy: 0.683165731358933

minimum gb energy = 0.6218234715188278 eV
minimum distance =  2.5052263882827 Angstroms
sigma value = 7


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

Energy: 1.0072134324829012
Energy: 0.7994223516945435
Energy: 0.7676139086366343
Energy: 0.7994223517034333
Energy: 0.7309975677391096
Energy: 0.6867515632570225
Energy: 0.812159686310722
Energy: 0.6867515594405136
Energy: 0.6620121968383826
Energy: 0.7178569105108071
Energy: 0.6997142364248993
Energy: 0.7178569105095373
Energy: 0.6428481066917408
Energy: 0.6777512044726027
Energy: 0.7979982801351128
Energy: 0.6777512044751427
Energy: 0.6848023461249383
Energy: 0.6773038698918232
Energy: 0.756487956163663
Energy: 0.6773038697877134
Energy: 0.7228446358758635
Energy: 0.6775503045371788
Energy: 0.7569356911023158
Energy: 0.6775503045371788
Energy: 0.7925330674220564
Energy: 0.7004740432659359
Energy: 0.7262298043741431
Energy: 0.70047500969836
Energy: 0.8189673474690324
Energy: 0.6763431104802006
Energy: 0.6822181627407939
Energy: 0.6763431104808355
Energy: 0.7747253122470281
Energy: 0.6436232249763034
Energy: 0.6465758659624926
Energy: 0.6436232249756685
Energy: 0.7572052023660258
Energy: 0.7236043069793886
Energy: 0.6726641602330877
Energy: 0.7236043069812935
Energy: 0.809141804527128
Energy: 0.6842699527381855
Energy: 0.758141230196058
Energy: 0.6842699527388204
Energy: 0.7634640214982057
Energy: 0.771491866641835
Energy: 0.7908634871943009
Energy: 0.7714918665275939
Energy: 0.7206965406234904
Energy: 0.7374860083154988
Energy: 0.7570323118307429
Energy: 0.7374860083154988
Energy: 0.7017720904581278
Energy: 0.7043420924677556
Energy: 0.6429796488049683
Energy: 0.7043420924690256
Energy: 0.7553164013719259
Energy: 0.7057602434463326
Energy: 0.64023381012834
Energy: 0.7057602434456977
Energy: 0.8168545725831594
Energy: 0.7640721153570373
Energy: 0.7605367582441316
Energy: 0.7640721147991095
Energy: 0.8433907479675846
Energy: 0.6834946264239666
Energy: 0.7979305488869507
Energy: 0.6834946264220617
Energy: 0.6942182341770403
Energy: 0.726664525824778
Energy: 0.6986851025484301
Energy: 0.726664525824778
Energy: 0.6449089547476154
Energy: 0.6443894680118267
Energy: 0.7761110299663335
Energy: 0.6443894680124617
Energy: 0.6863415700179268
Energy: 0.676419701748138
Energy: 0.8496181318793677
Energy: 0.6764197017475031
Energy: 0.7020415704570998
Energy: 0.7315273774385878
Energy: 0.7584195156248176
Energy: 0.7315273775744185
Energy: 0.8211834529497728
Energy: 0.6755765671426538
Energy: 0.7437995998490429
Energy: 0.6755765671413838
Energy: 0.7905240485347443
Energy: 0.6753748071041249
Energy: 0.6826312428202752
Energy: 0.6753748008484064
Energy: 0.7866405053160856
Energy: 0.6771127530235793
Energy: 0.6426919535406141
Energy: 0.6771127530254842
Energy: 0.7596880999725916
Energy: 0.7168972696883029
Energy: 0.6718952612694064
Energy: 0.716897269687668
Energy: 0.7844939635747786
Energy: 0.6435964049016932
Energy: 0.7085372639023908
Energy: 0.6435964049029631
Energy: 0.7607372807512447
Energy: 0.7827369875030317
Energy: 0.8808509266937252
Energy: 0.7827369875017617
Energy: 0.7316865974309719
Energy: 0.6835325605665882
Energy: 0.7057597756599269
Energy: 0.6835325605710331
Energy: 0.701516810287863
Energy: 0.6837078751489456
Energy: 0.6713123197048206
Energy: 0.6837078750930662
Energy: 0.7511349877482651
Energy: 0.706908540589435
Energy: 0.6428065624825469
Energy: 0.706908540586895
Energy: 0.8509967708136921
Energy: 0.7104653260905189
Energy: 0.7535315722458665
Energy: 0.7104653260905189

minimum gb energy = 0.64023381012834 eV
minimum distance =  2.48632197533193 Angstroms
sigma value = 29


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

Energy: 0.5618342465628101
Energy: 0.7146642280062537
Energy: 0.6962652008701927
Energy: 0.714664228006475
Energy: 0.6641024352883412
Energy: 0.6599035215404166
Energy: 0.579910968821821
Energy: 0.6599035215401954
Energy: 0.6675371171877805
Energy: 0.7096911353091615
Energy: 0.5739121429504728
Energy: 0.7096911353177877
Energy: 0.563656001078181
Energy: 0.6736330104548739
Energy: 0.5789252151412457
Energy: 0.6736330104546528
Energy: 0.656270916153592
Energy: 0.6314301262860423
Energy: 0.5636035626219694
Energy: 0.6314301262862391
Energy: 0.6564269507359548
Energy: 0.6598356953233594
Energy: 0.5636157167401646
Energy: 0.6598356953231628
Energy: 0.5736230325240621
Energy: 0.6308110373581157
Energy: 0.6600152623551823
Energy: 0.6308110373581157
Energy: 0.6991156563601342
Energy: 0.6595566405366543
Energy: 0.5639233997201331
Energy: 0.6595566405366543
Energy: 0.6105555137811046
Energy: 0.6846858958269911
Energy: 0.580108680542893
Energy: 0.6846858958272124

minimum gb energy = 0.5618342465628101 eV
minimum distance =  2.58086097963091 Angstroms
sigma value = 5


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

Energy: 0.7722637698584733
Energy: 0.8233404625081139
Energy: 0.7718330614545469
Energy: 0.823340462507514
Energy: 0.7399441802852448
Energy: 0.6793464778999975
Energy: 0.7062482158384272
Energy: 0.6793464778993977
Energy: 0.7145945535327597
Energy: 0.7431301811373935
Energy: 0.6934985681037578
Energy: 0.7431301811367937
Energy: 0.6067686973993179
Energy: 0.6723895094867357
Energy: 0.7392897221026585
Energy: 0.672389509486136
Energy: 0.7652636578919082
Energy: 0.7127044002854965
Energy: 0.7008496641799357
Energy: 0.7127044002842968
Energy: 0.6438058070910478
Energy: 0.6576303363675572
Energy: 0.7047825690904158
Energy: 0.6576303544365332
Energy: 0.6048704080777471
Energy: 0.6044504394835789
Energy: 0.7422176849373576
Energy: 0.6044504398715035
Energy: 0.6046043255619872
Energy: 0.6132072690877539
Energy: 0.7762176745411473
Energy: 0.6132087628139116
Energy: 0.6528547886214253
Energy: 0.7283556895035095
Energy: 0.7765384710199447
Energy: 0.7283556895035095
Energy: 0.6874757728703687
Energy: 0.7874690164906956
Energy: 0.7354306513751496
Energy: 0.7874690164906956
Energy: 0.7288545484680184
Energy: 0.6288273136663066
Energy: 0.6036996735985228
Energy: 0.6288273136669065
Energy: 0.7930611294913545
Energy: 0.6020927208486041
Energy: 0.6012577798831868
Energy: 0.6020927173657621
Energy: 0.7771236121949978
Energy: 0.709127193544806
Energy: 0.7558686869325447
Energy: 0.709127193544806
Energy: 0.7251399981324487
Energy: 0.7330485665790418
Energy: 0.6961188606745295
Energy: 0.733048566578442
Energy: 0.6047105795752684
Energy: 0.6741683844407733
Energy: 0.7041859681552308
Energy: 0.6741683844407733
Energy: 0.6097389344910206
Energy: 0.6374366350370756
Energy: 0.7425042916857292
Energy: 0.6374366350388752
Energy: 0.7755101849777604
Energy: 0.7817859970648936
Energy: 1.0104734833560802
Energy: 0.7817860043999348
Energy: 0.7283767783377981
Energy: 0.6786845147687505
Energy: 0.6729721281848177
Energy: 0.6786845147003973
Energy: 0.6907099152581687
Energy: 0.7450812991361847
Energy: 0.7070501236617188
Energy: 0.7450812991361847
Energy: 0.7394427387338557
Energy: 0.6745320992430835
Energy: 0.6068915795967096
Energy: 0.6745320992424836
Energy: 0.7129168605459665
Energy: 0.7003090890591188
Energy: 0.7185072317157224
Energy: 0.700309089058519
Energy: 0.6888327077415933
Energy: 0.6548025812259481
Energy: 0.7220805433749966
Energy: 0.6548023557047236
Energy: 0.7422359229052697
Energy: 0.6070279421113589
Energy: 0.6079054332489124
Energy: 0.6070279419896486
Energy: 0.7781095348977171
Energy: 0.6082210886503163
Energy: 0.6136682168121124
Energy: 0.6082210887078724
Energy: 0.7976481438883026
Energy: 0.727071899973747
Energy: 0.7082824574682423
Energy: 0.7270718999731471
Energy: 0.7331658893272415
Energy: 0.7904146357786028
Energy: 0.687016150940569
Energy: 0.7904146357828017
Energy: 0.618516845075783
Energy: 0.6356534105908429
Energy: 0.657597217479836
Energy: 0.6356534105902429
Energy: 0.6040162902333202
Energy: 0.6400106937350025
Energy: 0.6491656954897185
Energy: 0.6400106937338028
Energy: 0.7514521953959288
Energy: 0.6545316568274386
Energy: 0.775377921423251
Energy: 0.6545316570810564
Energy: 0.7043327223077147
Energy: 0.7303825482480502
Energy: 0.7395266837291254
Energy: 0.7303825482480502
Energy: 0.7037260913670954
Energy: 0.6728711306522172
Energy: 0.6010915360019837
Energy: 0.6728711307565326
Energy: 0.6917543812195684
Energy: 0.6023464368835418
Energy: 0.6056165409880554
Energy: 0.602346559628632
Energy: 0.6073824548420607
Energy: 0.6423914690979556
Energy: 0.7726830274502442
Energy: 0.642391469247258

minimum gb energy = 0.6010915360019837 eV
minimum distance =  2.50636998711171 Angstroms
sigma value = 1


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

Energy: 0.8121398526918578
Energy: 0.821899648545608
Energy: 0.7648944975912464
Energy: 0.821899648545608
Energy: 0.5760674461361142
Energy: 0.656165388212375
Energy: 0.6731725915104305
Energy: 0.656165388214863
Energy: 0.6753891808795663
Energy: 0.6554275518391479
Energy: 0.6996254186328326
Energy: 0.6554275518391479
Energy: 0.5785727494927981
Energy: 0.6557825274473462
Energy: 0.6772194869656669
Energy: 0.6557825269880689
Energy: 0.7047255724379545
Energy: 0.7174627742349964
Energy: 0.70659771191243
Energy: 0.7174627742349964
Energy: 0.6144555987640706
Energy: 0.6102443120198374
Energy: 0.7080749325102357
Energy: 0.6102443120214961
Energy: 0.5791669626803349
Energy: 0.5793464249459961
Energy: 0.680231198173468
Energy: 0.5793464249451667
Energy: 0.5795397387845491
Energy: 0.5936507420388196
Energy: 0.8173181644032376
Energy: 0.5936507419310403
Energy: 0.6798138752901769
Energy: 0.7248327571045191
Energy: 0.7811527344291226
Energy: 0.7248327571045191
Energy: 0.6947641127700043
Energy: 0.5773992850419613
Energy: 0.6560516246752643
Energy: 0.5773992850419613
Energy: 0.6793475760201203
Energy: 0.5772655125990019
Energy: 0.5787344697102129
Energy: 0.5772655125998313
Energy: 0.8169399061892251
Energy: 0.630644692060181
Energy: 0.5806338581175124
Energy: 0.6306446920618397
Energy: 0.8128695874185468
Energy: 0.5915287764106896
Energy: 0.7736588800973012
Energy: 0.5915287764115189
Energy: 0.6805384378492383
Energy: 0.6606519879216551
Energy: 0.7065222879486543
Energy: 0.6606519879224845
Energy: 0.5810080555940329
Energy: 0.6555425330523975
Energy: 0.7133426584580497
Energy: 0.6555425330515683
Energy: 0.5833020526701157
Energy: 0.6686114962513351
Energy: 0.7833016560286105
Energy: 0.6686114962496764
Energy: 0.7406125354239325
Energy: 0.8047737853062836
Energy: 0.9785070980770573
Energy: 0.8047737853054542
Energy: 0.6103537988900515
Energy: 0.580531332472329
Energy: 0.6762863354335876
Energy: 0.5805313337050416
Energy: 0.5802113539095676
Energy: 0.5787909773446109
Energy: 0.6887958857152148
Energy: 0.5787909773462508
Energy: 0.575619156273109
Energy: 0.6654860081265007
Energy: 0.8159625236043695
Energy: 0.6654860084307251
Energy: 0.707279534531741
Energy: 0.729272122360398
Energy: 0.7807493308429282
Energy: 0.7292721223612273
Energy: 0.698008916623749
Energy: 0.6658721804033045
Energy: 0.5766339003662766
Energy: 0.6658721804041338
Energy: 0.6728255467523364
Energy: 0.5768667050319123
Energy: 0.5807460973060484
Energy: 0.5768667050319123
Energy: 0.8170598586231712
Energy: 0.5908747175605519
Energy: 0.7318279407663176
Energy: 0.5908747175588931

minimum gb energy = 0.575619156273109 eV
minimum distance =  2.51965069403664 Angstroms
sigma value = 17


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

Energy: 0.8612677465571867
Energy: 0.8300675059520277
Energy: 0.7805580383825347
Energy: 0.8300675059525404
Energy: 0.624203436524976
Energy: 0.6426383612538223
Energy: 0.6547880326758743
Energy: 0.6426383612389565
Energy: 0.7439259677831753
Energy: 0.7232077900035264
Energy: 0.648592734354334
Energy: 0.7232077900045515
Energy: 0.713534015792413
Energy: 0.7172045952193897
Energy: 0.6799801272782738
Energy: 0.7172045952193897
Energy: 0.7151709709485243
Energy: 0.7081449741565637
Energy: 0.7796376707857613
Energy: 0.708144984016867
Energy: 0.5938932320086532
Energy: 0.5785729894179977
Energy: 0.7861325766291005
Energy: 0.5785729876959048
Energy: 0.5740267780456602
Energy: 0.5734002632783632
Energy: 0.6748805834043511
Energy: 0.5734002632476066
Energy: 0.6223228599617843
Energy: 0.6547502893861572
Energy: 0.8642082138032968
Energy: 0.6547502817505853
Energy: 0.7669340173407093
Energy: 0.7152019910280601
Energy: 0.7124920348486621
Energy: 0.7152019910280601
Energy: 0.6440021486571298
Energy: 0.6446449387459837
Energy: 0.6696052187834617
Energy: 0.644644933321349
Energy: 0.7197823690620733
Energy: 0.6376729899512751
Energy: 0.5768852933149958
Energy: 0.6376729902540882
Energy: 0.7805866733898127
Energy: 0.6337938624134816
Energy: 0.6427016261175456
Energy: 0.6337936502765532
Energy: 0.7997932531882437
Energy: 0.6211560687017833
Energy: 0.7136053779085915
Energy: 0.6211560687806789
Energy: 0.8002835085036663
Energy: 0.5938802145371121
Energy: 0.5789229318034332
Energy: 0.5938802145381372
Energy: 0.7233172458444315
Energy: 0.6517238167042196
Energy: 0.5793181882153133
Energy: 0.6517249720844946
Energy: 0.8390149469786988
Energy: 0.7461660453300825
Energy: 0.7524630543998779
Energy: 0.7461660453290573
Energy: 0.6288155132860699
Energy: 0.6794445371503149
Energy: 0.7869918291720654
Energy: 0.6794445372235717
Energy: 0.5777841681559375
Energy: 0.6612167286908981
Energy: 0.7244748240526249
Energy: 0.6612167286888476
Energy: 0.5800147225983943
Energy: 0.5972543237648597
Energy: 0.7059483610722105
Energy: 0.597254323838629
Energy: 0.7881966739172583
Energy: 0.8033922045451944
Energy: 0.8624576852431864
Energy: 0.8033922045375053
Energy: 0.6669329573960383
Energy: 0.638477292529675
Energy: 0.679988442082646
Energy: 0.6384775225774606
Energy: 0.6550436598915308
Energy: 0.7214568675724636
Energy: 0.7369216655277905
Energy: 0.7214568675729763
Energy: 0.6834096538902019
Energy: 0.678779449096369
Energy: 0.7181784227049276
Energy: 0.6787794493299797
Energy: 0.7921097863151786
Energy: 0.5752830959138874
Energy: 0.6918955596360538
Energy: 0.5752830959328075
Energy: 0.739859136653166
Energy: 0.6175794434806884
Energy: 0.5870952455432049
Energy: 0.6175794434791506
Energy: 0.6703338464456492
Energy: 0.5714394075877963
Energy: 0.5782982096423412
Energy: 0.5714394075857457
Energy: 0.8625055718381718
Energy: 0.717759552273715
Energy: 0.6339300282132592
Energy: 0.717759550931234
Energy: 0.7074809765020544
Energy: 0.7141921953295356
Energy: 0.7346452694125281
Energy: 0.7141921953310734
Energy: 0.6582434324453925
Energy: 0.6303334781429143
Energy: 0.6459873097107806
Energy: 0.6303337546705727
Energy: 0.5779348230327546
Energy: 0.6475141945516849
Energy: 0.7631853824605638
Energy: 0.6475141945511722
Energy: 0.6497224500922301
Energy: 0.6343122001026041
Energy: 0.7845115791236204
Energy: 0.634311683922044
Energy: 0.6099619232880766
Energy: 0.6340256172222347
Energy: 0.7767998745419651
Energy: 0.6340256172212094
Energy: 0.577836079167494
Energy: 0.5771098771898134
Energy: 0.8042400328749769
Energy: 0.5771098771898134
Energy: 0.6042501441717383
Energy: 0.6647925677341573
Energy: 0.7140130015874279
Energy: 0.6647925677341573
Energy: 0.7239069604003439
Energy: 0.7465149095672948
Energy: 0.7215795843496328
Energy: 0.7465149095672948
Energy: 0.7863037995036172
Energy: 0.6080024797949957
Energy: 0.6235820351195032
Energy: 0.608002481279377
Energy: 0.7213107727467336
Energy: 0.5902200594957923
Energy: 0.5748429148314848
Energy: 0.5902200597022812
Energy: 0.7115656470977786
Energy: 0.6334332671905477
Energy: 0.614143615994068
Energy: 0.6334332671879848

minimum gb energy = 0.5714394075857457 eV
minimum distance =  2.51668414897143 Angstroms
sigma value = 89


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

Energy: 0.8833190900812381
Energy: 0.6578077681741373
Energy: 0.6573818439005533
Energy: 0.6578077681727962
Energy: 0.6635713980670411
Energy: 0.6396526867419652
Energy: 0.6297287517763762
Energy: 0.6396526867419652
Energy: 0.5151229149885523
Energy: 0.6379618412383995
Energy: 0.6608410240546663
Energy: 0.6379618412383995
Energy: 0.5184755585646441
Energy: 0.5250967704123373
Energy: 0.6633071073875968
Energy: 0.525096770410996
Energy: 0.5249993492072332
Energy: 0.5487961651691581
Energy: 0.683270608880727
Energy: 0.5487961651691581
Energy: 0.5261309784775412
Energy: 0.6404649588073236
Energy: 0.6512788876442321
Energy: 0.6404649588073236
Energy: 0.5255716084921509
Energy: 0.5262753454565746
Energy: 0.6641804393738197
Energy: 0.5262753454565746
Energy: 0.6573705195668832
Energy: 0.5260858895389146
Energy: 0.8851004171360346
Energy: 0.5260858895389146
Energy: 0.6295983891764481
Energy: 0.6320295359969336
Energy: 0.7289378321681673
Energy: 0.6320295359969336
Energy: 0.7030708627275782
Energy: 0.5666022231427107
Energy: 0.659276945726504
Energy: 0.5666022231413694
Energy: 0.6636412835077398
Energy: 0.6642277934454192
Energy: 0.5175555477658685
Energy: 0.6642277934454192
Energy: 0.6523279210423487
Energy: 0.6401430774929685
Energy: 0.5558834538217254
Energy: 0.6401430774929685
Energy: 0.6992245059109776
Energy: 0.6321949512076739
Energy: 0.660211305810381
Energy: 0.6321949512090153
Energy: 0.6635037925910586
Energy: 0.525790894571134
Energy: 0.5239439690348442
Energy: 0.525790894571134
Energy: 0.7277690412684602
Energy: 0.525858495156385
Energy: 0.5256625266718494
Energy: 0.525858495156385

minimum gb energy = 0.5151229149885523 eV
minimum distance =  2.52628408859554 Angstroms
sigma value = 13


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

Energy: 0.799078531201772
Energy: 0.6643355562496732
Energy: 0.7075425849373699
Energy: 0.6643355561873235
Energy: 0.6822396157947408
Energy: 0.5531140595894442
Energy: 0.5848574151208825
Energy: 0.5531140595888819
Energy: 0.7080659475666213
Energy: 0.5767293460621775
Energy: 0.5819654508480676
Energy: 0.576729346063864
Energy: 0.6420510656125922
Energy: 0.5988553729854428
Energy: 0.5955970839188767
Energy: 0.5988553724735366
Energy: 0.6000565595537478
Energy: 0.6316153623311599
Energy: 0.7183604799455964
Energy: 0.6316153623592683
Energy: 0.5837100789558674
Energy: 0.5109959115062344
Energy: 0.6878115025781147
Energy: 0.5109959434513395
Energy: 0.5802200530471254
Energy: 0.5280730484052578
Energy: 0.6879160140482862
Energy: 0.5280730503545791
Energy: 0.7546338672949253
Energy: 0.527235715446447
Energy: 0.8949853689013973
Energy: 0.5272279080756784
Energy: 0.5282578985967646
Energy: 0.55043035402704
Energy: 0.7659815088091689
Energy: 0.5504303540287264
Energy: 0.5159952942423361
Energy: 0.5313242981798527
Energy: 0.7665843220264279
Energy: 0.5313242981781662
Energy: 0.5221754840498244
Energy: 0.5327526011645065
Energy: 0.7949379445226058
Energy: 0.5327526012746405
Energy: 0.6604415793973037
Energy: 0.5120211091776414
Energy: 0.6619989230710293
Energy: 0.5120211228025248
Energy: 0.7209198958984995
Energy: 0.5748262146797011
Energy: 0.6824519212869717
Energy: 0.5748239198072065
Energy: 0.6850842697256323
Energy: 0.6342333655117719
Energy: 0.6426053765965503
Energy: 0.6342333655095231
Energy: 0.7643683182822385
Energy: 0.5254788902926585
Energy: 0.6015731204357669
Energy: 0.5254788908843671
Energy: 0.7651064694982457
Energy: 0.5449781055448364
Energy: 0.51092773665614
Energy: 0.544978105546523
Energy: 0.6840473947483536
Energy: 0.5233787192074644
Energy: 0.5108202826131957
Energy: 0.523378718839959
Energy: 0.7967216860518314
Energy: 0.5237158051460543
Energy: 0.7054989274245547
Energy: 0.5237158051865305
Energy: 0.8185485183080077
Energy: 0.5451650658912678
Energy: 0.5990099664135918
Energy: 0.5451650658918301
Energy: 0.7668022696759436
Energy: 0.5926741185585405
Energy: 0.5784816271510992
Energy: 0.5926741185579784
Energy: 0.639874023963518
Energy: 0.5768832470683986
Energy: 0.6080315936331802
Energy: 0.5768832082397629
Energy: 0.6618785660858693
Energy: 0.5384981203394127
Energy: 0.6831786025014558
Energy: 0.5384981183828087
Energy: 0.5715918497358946
Energy: 0.5950878217510421
Energy: 0.7166477393938077
Energy: 0.595087821744296
Energy: 0.5113168370442622
Energy: 0.5905748866891906
Energy: 0.7656906161694921
Energy: 0.5905748866891906
Energy: 0.6760517319432814
Energy: 0.52126048874601
Energy: 0.7627855516310932
Energy: 0.5212604869658505
Energy: 0.5378034379402838
Energy: 0.5500773362411289
Energy: 0.7637145048730964
Energy: 0.5500773361658239
Energy: 0.5119442910127755
Energy: 0.5390960641953196
Energy: 0.7669368703494053
Energy: 0.5390960641925088
Energy: 0.5117053117132498
Energy: 0.5145468878767553
Energy: 0.7971656808485301
Energy: 0.5145468879031773
Energy: 0.6620938297330761
Energy: 0.5308322160129058
Energy: 0.8201306476441054
Energy: 0.530832216013468
Energy: 0.5757666030816739
Energy: 0.6736854070062808
Energy: 0.6837245704817267
Energy: 0.6736854069984105
Energy: 0.6856038699249086
Energy: 0.6633508141175731
Energy: 0.6437748450472464
Energy: 0.6633508141164487
Energy: 0.7653888178132825
Energy: 0.632883570862674
Energy: 0.5770654493345168
Energy: 0.632883570862674
Energy: 0.7642567967883561
Energy: 0.5526068168490361
Energy: 0.5246126499454374
Energy: 0.552606816443891
Energy: 0.7575412806093254
Energy: 0.5360954908534683
Energy: 0.5091876010357519
Energy: 0.5360954908540305
Energy: 0.8206421437783712
Energy: 0.545501279727446
Energy: 0.5202958076940661
Energy: 0.5455012797240729

minimum gb energy = 0.5091876010357519 eV
minimum distance =  2.51704662514386 Angstroms
sigma value = 37


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

Energy: 0.7822798385331334
Energy: 0.6408709064284784
Energy: 0.6587015661251211
Energy: 0.6408709063443546
Energy: 0.8142629016632013
Energy: 0.4856167112386516
Energy: 0.5890901438564423
Energy: 0.4856167112434876
Energy: 0.7068121049940326
Energy: 0.589502583354275
Energy: 0.602482808076256
Energy: 0.5895025832914296
Energy: 0.7801483887374355
Energy: 0.6097478063324961
Energy: 0.5882158896093123
Energy: 0.6097478063315288
Energy: 0.6016800909783848
Energy: 0.6607016339735593
Energy: 0.6412540679906998
Energy: 0.6607016339735593
Energy: 0.618834245171506
Energy: 0.5997638708595873
Energy: 0.8096495358732111
Energy: 0.5997638708218888
Energy: 0.5248164371686901
Energy: 0.5580077936890131
Energy: 0.6445281390658444
Energy: 0.5580077936919148
Energy: 0.6720061318846648
Energy: 0.5199972423627442
Energy: 0.8069439094827261
Energy: 0.5199972423675803
Energy: 0.5282262862712457
Energy: 0.5484905694916724
Energy: 0.807236824682135
Energy: 0.5484905694916724
Energy: 0.517300485403707
Energy: 0.46396733700424847
Energy: 0.8527061818312024
Energy: 0.46396733700424847
Energy: 0.5954311580876727
Energy: 0.5178971349907364
Energy: 0.6977933654529972
Energy: 0.5178971664288815
Energy: 0.6090296035656418
Energy: 0.4648045157061747
Energy: 0.8529127162682026
Energy: 0.4648045157081091
Energy: 0.6475690599258852
Energy: 0.6285498392653347
Energy: 0.7067328454667805
Energy: 0.6285498392643675
Energy: 0.6147025139546984
Energy: 0.6582108206037443
Energy: 0.7800884047379141
Energy: 0.6582108206037443
Energy: 0.6412540679906998
Energy: 0.6660190162396078
Energy: 0.5991252480970333
Energy: 0.6660190162396078
Energy: 0.81798350464615
Energy: 0.5968851327343617
Energy: 0.5250732522228244
Energy: 0.5968851327333946
Energy: 0.6770469233271146
Energy: 0.5405465348066547
Energy: 0.5245128083071096
Energy: 0.54054653503289
Energy: 0.8069439094827261
Energy: 0.4869246950923905
Energy: 0.6567377966673349
Energy: 0.48692469509142333
Energy: 0.807236824682135
Energy: 0.5099358479526251
Energy: 0.4847932081012037
Energy: 0.5099358479535924
Energy: 0.815965488622539
Energy: 0.48445354813475316
Energy: 0.49310903493773744
Energy: 0.4844535481308845

minimum gb energy = 0.46396733700424847 eV
minimum distance =  2.51470149048625 Angstroms
sigma value = 25


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

Energy: 0.8419784481518465
Energy: 0.5961942017980251
Energy: 0.5960952008990874
Energy: 0.5961942018410743
Energy: 0.7700701823973303
Energy: 0.4417938460588831
Energy: 0.5005239981221181
Energy: 0.44179384605963834
Energy: 0.7666643466711764
Energy: 0.5123901366470301
Energy: 0.5063815240956865
Energy: 0.5123901366432538
Energy: 0.6030763754849106
Energy: 0.5462007592287121
Energy: 0.5056406278976971
Energy: 0.5462007592287121
Energy: 0.6724660248393772
Energy: 0.5360105240833534
Energy: 0.6722497009148066
Energy: 0.5360105240833534
Energy: 0.569247712757875
Energy: 0.6301983733389134
Energy: 0.6737043867792119
Energy: 0.6301983733389134
Energy: 0.5679917656945
Energy: 0.615596031014029
Energy: 0.6740442265331357
Energy: 0.615596031014029
Energy: 0.5054067601803831
Energy: 0.5423970793286533
Energy: 0.7245232079780336
Energy: 0.542397079327898
Energy: 0.504359625892887
Energy: 0.427983973732364
Energy: 0.8421340753958302
Energy: 0.42798397372934305
Energy: 0.5051093113166888
Energy: 0.471908872927307
Energy: 0.7697508774137226
Energy: 0.471908872927307
Energy: 0.6081625700702249
Energy: 0.5964888030545766
Energy: 0.7211511806040608
Energy: 0.5964888030568425
Energy: 0.4292136554832761
Energy: 0.4276881820111566
Energy: 0.7697011999748016
Energy: 0.4276881820096461
Energy: 0.43649631235963093
Energy: 0.4298693132678381
Energy: 0.9102949031740073
Energy: 0.4298693132678381
Energy: 0.703703492582895
Energy: 0.44714814911356315
Energy: 0.8437384610668492
Energy: 0.4471481489497425
Energy: 0.5070990119229059
Energy: 0.5123815454308813
Energy: 0.7688288531532772
Energy: 0.5123815448518789
Energy: 0.5068972853436117
Energy: 0.5539918865148569
Energy: 0.7662431184214266
Energy: 0.5539918865148569
Energy: 0.5049927104797022
Energy: 0.5423400506093295
Energy: 0.7661475636194396
Energy: 0.5423400506085743
Energy: 0.5171603961482124
Energy: 0.6257062157239297
Energy: 0.6733012181638773
Energy: 0.6257062157239297
Energy: 0.6720823412118886
Energy: 0.6172187407834272
Energy: 0.5681502224927416
Energy: 0.617218740782672
Energy: 0.6738864557140615
Energy: 0.538851781297936
Energy: 0.569936843973253
Energy: 0.5388517812971807
Energy: 0.7222482133659718
Energy: 0.5330734353028482
Energy: 0.505698991366303
Energy: 0.5330734353028482
Energy: 0.8429912521928454
Energy: 0.512029437717667
Energy: 0.4278520720315505
Energy: 0.5120294377010516
Energy: 0.8381757011399158
Energy: 0.4297841286323156
Energy: 0.5049994993469206
Energy: 0.4297841286323156
Energy: 0.7231395856508983
Energy: 0.4288514382802558
Energy: 0.6046847027766717
Energy: 0.4288514382810111
Energy: 0.7694395670324286
Energy: 0.4299923815556858
Energy: 0.42964563773673387
Energy: 0.42999238155493064
Energy: 0.7641544630821124
Energy: 0.42898418693252977
Energy: 0.4292616438293965
Energy: 0.42898418693630597

minimum gb energy = 0.4276881820096461 eV
minimum distance =  2.54313934134065 Angstroms
sigma value = 41


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

Energy: 0.9364059867185409
Energy: 0.5720577958561232
Energy: 0.5687151039006059
Energy: 0.5720577957880414
Energy: 0.8255483828199518
Energy: 0.43626053792784103
Energy: 0.4540483989438875
Energy: 0.4362605379272218
Energy: 0.8230812484427704
Energy: 0.46725358298488195
Energy: 0.457644080069864
Energy: 0.4672535829793094
Energy: 0.7292823661658611
Energy: 0.5019135617227544
Energy: 0.45740874569875634
Energy: 0.5019135617239928
Energy: 0.7616514320090811
Energy: 0.5596755254858707
Energy: 0.6077163917562602
Energy: 0.55967552548649
Energy: 0.6924329744838048
Energy: 0.585485238301303
Energy: 0.6020536161444511
Energy: 0.585485238301303
Energy: 0.6894646425545056
Energy: 0.5858784316647369
Energy: 0.6031371552663876
Energy: 0.5858784316653559
Energy: 0.6033097454421891
Energy: 0.5880360885344484
Energy: 0.633197344126894
Energy: 0.5880360885344484
Energy: 0.5115488171413813
Energy: 0.5628995918042263
Energy: 0.7600623162375715
Energy: 0.5628995918017496
Energy: 0.5101963250457529
Energy: 0.5044888574611767
Energy: 0.7605870294532825
Energy: 0.5044888574611767
Energy: 0.45700172853995863
Energy: 0.46980444703264007
Energy: 0.832856833535142
Energy: 0.4698035219580622
Energy: 0.45581791027757956
Energy: 0.47898267427324315
Energy: 0.8858916072767398
Energy: 0.4789826742707665
Energy: 0.4618980019228544
Energy: 0.40603182205463273
Energy: 0.8833295553673728
Energy: 0.40603182205215604
Energy: 0.5763439852858808
Energy: 0.39684992437047806
Energy: 0.8320340874678273
Energy: 0.39684992440019873
Energy: 0.3989281548143911
Energy: 0.4206351798491388
Energy: 0.8263197222345938
Energy: 0.42063517984975796
Energy: 0.3985919031935692
Energy: 0.44523284559201687
Energy: 0.8209433971014333
Energy: 0.44523284559201687
Energy: 0.4555501658048688
Energy: 0.43721303021288677
Energy: 0.8217528272324439
Energy: 0.43721303021536356
Energy: 0.4682319467822006
Energy: 0.4736949824554359
Energy: 0.8244463018979442
Energy: 0.473694982369426
Energy: 0.4564932741639288
Energy: 0.49752784757795115
Energy: 0.688223741868798
Energy: 0.4975278475785705
Energy: 0.6039249374435929
Energy: 0.49670836698278537
Energy: 0.6933797262561368
Energy: 0.49670836698278537
Energy: 0.6333622459448923
Energy: 0.5794222510228701
Energy: 0.7600405117326141
Energy: 0.5794222510228701
Energy: 0.6055730448540309
Energy: 0.5846643121355134
Energy: 0.7312947499812257
Energy: 0.5846643121373428
Energy: 0.760284287736483
Energy: 0.58529890358668
Energy: 0.6905609747851448
Energy: 0.5852989035860608
Energy: 0.63386222329457
Energy: 0.5933732122121356
Energy: 0.6026556712544094
Energy: 0.5933732122115164
Energy: 0.7592487484318751
Energy: 0.5641694814185693
Energy: 0.5358300819529616
Energy: 0.5641694814185693
Energy: 0.7584305326072637
Energy: 0.5006933173227512
Energy: 0.601791047858499
Energy: 0.5006933173227512
Energy: 0.7582061487853471
Energy: 0.49787588424311385
Energy: 0.4575986222413861
Energy: 0.49787588424311385
Energy: 0.8857206672065427
Energy: 0.48402488871377936
Energy: 0.4667915255084756
Energy: 0.4840248887143986
Energy: 0.7564864360921103
Energy: 0.4379922667073862
Energy: 0.4565431893520833
Energy: 0.4379922667092438
Energy: 0.7565872775091019
Energy: 0.3962892250330314
Energy: 0.39687168071832035
Energy: 0.396289225031793
Energy: 0.8865248527164455
Energy: 0.41002396179016254
Energy: 0.40012737394059167
Energy: 0.4100239617914009
Energy: 0.820918732011859
Energy: 0.42365770574016764
Energy: 0.5849169556924795
Energy: 0.4236577056293905

minimum gb energy = 0.396289225031793 eV
minimum distance =  2.54481459526311 Angstroms
sigma value = 15


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

Energy: 0.8197340537500246
Energy: 0.5483833861620829
Energy: 0.5607575751964858
Energy: 0.548383386166279
Energy: 0.8631097204041009
Energy: 0.39918531108619304
Energy: 0.4234340822097361
Energy: 0.39918531108619304
Energy: 0.8619573152106693
Energy: 0.470201225965546
Energy: 0.420747387704165
Energy: 0.47020122596607056
Energy: 0.8193250939565212
Energy: 0.4614301418037935
Energy: 0.42409313677828264
Energy: 0.4614301418043181
Energy: 0.8106615738642544
Energy: 0.5165901592276497
Energy: 0.547021263210695
Energy: 0.5165901592281743
Energy: 0.7593837970802924
Energy: 0.5452245545254962
Energy: 0.546281191171294
Energy: 0.5452245545254962
Energy: 0.6269834661196162
Energy: 0.5562217720656062
Energy: 0.5493969707336718
Energy: 0.5562217720656062
Energy: 0.6922608492662012
Energy: 0.5440379213283588
Energy: 0.5672868290275361
Energy: 0.5440379213283588
Energy: 0.6243500840810149
Energy: 0.5435999536013412
Energy: 0.6906395230187669
Energy: 0.5435999536008166
Energy: 0.6235660188821193
Energy: 0.5415390518894649
Energy: 0.6907422462805944
Energy: 0.5415390518899895
Energy: 0.5466344660648662
Energy: 0.6381150179070235
Energy: 0.7334985069442507
Energy: 0.6381150179070235
Energy: 0.46842338218293106
Energy: 0.5177318699458691
Energy: 0.8108299558479657
Energy: 0.5177318699463935
Energy: 0.5477838857305161
Energy: 0.4769361399850301
Energy: 0.8079279260886868
Energy: 0.4769361399850301
Energy: 0.42220992242946
Energy: 0.46034287183607064
Energy: 0.7337710127475304
Energy: 0.46034287183607064
Energy: 0.43312144708319483
Energy: 0.45440779840472967
Energy: 0.9182423545149362
Energy: 0.45440779840420514
Energy: 0.44463272318751024
Energy: 0.3915873173874677
Energy: 0.8065196092718687
Energy: 0.39158731326382257
Energy: 0.37353486033972916
Energy: 0.3717626086561859
Energy: 0.8062815845320306
Energy: 0.37176260865985766
Energy: 0.37126362904411386
Energy: 0.38975631684154993
Energy: 0.921871170557556
Energy: 0.38975631684154993
Energy: 0.3745053595010402
Energy: 0.381215589037349
Energy: 0.7504466235723447
Energy: 0.38121480347281106
Energy: 0.419280409185919
Energy: 0.41022178409277743
Energy: 0.86039165262785
Energy: 0.4102217840733697
Energy: 0.42943026709344345
Energy: 0.452983102348463
Energy: 0.8645083670906963
Energy: 0.4529831023489876
Energy: 0.42106969161618896
Energy: 0.4595653312389697
Energy: 0.8173206579748163
Energy: 0.4595653312400187
Energy: 0.5476395218415391
Energy: 0.4764395373639262
Energy: 0.7558334633982716
Energy: 0.47643953736077893
Energy: 0.5506571200234059
Energy: 0.5151567369661757
Energy: 0.8100981497495093
Energy: 0.5151567369646021
Energy: 0.5479135083238359
Energy: 0.5424207151108652
Energy: 0.6463368482317178
Energy: 0.5424207151098163
Energy: 0.6938283335507799
Energy: 0.5438748026118545
Energy: 0.7596049527161745
Energy: 0.5438748026118545
Energy: 0.5461061794271856
Energy: 0.538375654348111
Energy: 0.6898647344947769
Energy: 0.5383756543454883
Energy: 0.691528634531947
Energy: 0.5830743286404907
Energy: 0.6466431990821656
Energy: 0.5830743286404907
Energy: 0.6914814641085938
Energy: 0.5448973271812251
Energy: 0.6464571929945365
Energy: 0.5448973271801759
Energy: 0.691807583915741
Energy: 0.5384906370870061
Energy: 0.5474018577309867
Energy: 0.5384906370864814
Energy: 0.8144357462820015
Energy: 0.5150422150132159
Energy: 0.4682419004913846
Energy: 0.5150422150137405
Energy: 0.7340832286412845
Energy: 0.4622510354536113
Energy: 0.4236398419129334
Energy: 0.46225103419635183
Energy: 0.8080953350949893
Energy: 0.46458277006771664
Energy: 0.42150963560901183
Energy: 0.4645827700698148
Energy: 0.8643872649407154
Energy: 0.37788951400117893
Energy: 0.4207486683177488
Energy: 0.37788951402583204
Energy: 0.9087275476507185
Energy: 0.5457887336674312
Energy: 0.57711242611877
Energy: 0.5457887336579896
Energy: 0.8618223764184504
Energy: 0.37818638001925964
Energy: 0.3704590022453039
Energy: 0.37818638006594313
Energy: 0.8602511293762967
Energy: 0.3712567978349454
Energy: 0.3724142235644878
Energy: 0.37125679783389626

minimum gb energy = 0.3704590022453039 eV
minimum distance =  2.5460503991988 Angstroms
sigma value = 85


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

Energy: 0.8767797336080789
Energy: 0.3383219044330724
Energy: 0.5279310144870021
Energy: 0.3383219050201376
Energy: 0.8831669256791905
Energy: 0.407487399976824
Energy: 0.3818533135351652
Energy: 0.40748739995316763
Energy: 0.7834956078427109
Energy: 0.3955073421785317
Energy: 0.3814497727120024
Energy: 0.39550734219534334
Energy: 0.721142898161127
Energy: 0.4219958527105892
Energy: 0.3812909906573647
Energy: 0.4219958526964864
Energy: 0.8360582568989475
Energy: 0.46625329606397825
Energy: 0.48993222722181834
Energy: 0.4662532960644332
Energy: 0.679699978612458
Energy: 0.49402307808267226
Energy: 0.48960024215602427
Energy: 0.49402307808221735
Energy: 0.6778344939713318
Energy: 0.4998772367881188
Energy: 0.6556313091037179
Energy: 0.4998772367881188
Energy: 0.7351124096729268
Energy: 0.5263283683802417
Energy: 0.5046563420229081
Energy: 0.5263283683797867
Energy: 0.6789396055027411
Energy: 0.5035829387349434
Energy: 0.6223972404256252
Energy: 0.5035829387353983
Energy: 0.678723793470892
Energy: 0.500215617138054
Energy: 0.7339118234298765
Energy: 0.500215617138054
Energy: 0.6218668211117787
Energy: 0.5713763885287467
Energy: 0.6486165227376767
Energy: 0.5713763885287467
Energy: 0.5569597677102625
Energy: 0.49105965122249334
Energy: 0.7341484748224962
Energy: 0.49105965132890533
Energy: 0.6210893579748833
Energy: 0.4943092811964523
Energy: 0.7336458184630569
Energy: 0.4943092811964523
Energy: 0.4897270246129382
Energy: 0.49701780359711306
Energy: 0.6474423353935278
Energy: 0.4970178035975679
Energy: 0.4386793776463126
Energy: 0.4729335675545832
Energy: 0.8357604052850826
Energy: 0.4729335675541283
Energy: 0.48939546072847556
Energy: 0.42380933479757565
Energy: 0.7306677299656262
Energy: 0.42380933479621086
Energy: 0.38122209050430345
Energy: 0.4317150121415242
Energy: 0.7306880273454999
Energy: 0.43171501214197916
Energy: 0.39035052210891397
Energy: 0.3963980861123929
Energy: 0.883056096341848
Energy: 0.3963980915454649
Energy: 0.38113290266071476
Energy: 0.3386966189040023
Energy: 0.8315840714327243
Energy: 0.3386966189026376
Energy: 0.3371896883260327
Energy: 0.3396034728441591
Energy: 0.8314479031554773
Energy: 0.33960347292100074
Energy: 0.3404627243850372
Energy: 0.337641506242348
Energy: 0.931902579908877
Energy: 0.337641506242348
Energy: 0.5380764873873609
Energy: 0.33738779015409104
Energy: 0.7816183524339403
Energy: 0.3373877902586834
Energy: 0.3804074473164249
Energy: 0.336992289558655
Energy: 0.8791025059939318
Energy: 0.3369922865733697
Energy: 0.3818943736251983
Energy: 0.391925131628767
Energy: 0.8833891376970785
Energy: 0.39192513154644554
Energy: 0.38117665270333023
Energy: 0.39215675983684695
Energy: 0.7212901481803927
Energy: 0.3921567586973119
Energy: 0.49080328017474956
Energy: 0.4154831505155582
Energy: 0.8348144673635508
Energy: 0.41548315051510326
Energy: 0.49039312782746164
Energy: 0.47173644345876026
Energy: 0.7857012697835624
Energy: 0.47173644345557575
Energy: 0.4910040107664091
Energy: 0.4747586692701247
Energy: 0.7220995366395644
Energy: 0.4747586692528374
Energy: 0.6216804887057054
Energy: 0.4949409503608589
Energy: 0.7352086176419451
Energy: 0.49494095036040386
Energy: 0.621563892882069
Energy: 0.49713653779721745
Energy: 0.6796411143998704
Energy: 0.49713653779721745
Energy: 0.6223757306658412
Energy: 0.5021007133938835
Energy: 0.5557691368671428
Energy: 0.5021007133929735
Energy: 0.6395222260601231
Energy: 0.5015353095897013
Energy: 0.6222615216737495
Energy: 0.5015353095892463
Energy: 0.7346541451073909
Energy: 0.497388790221098
Energy: 0.5577423951393963
Energy: 0.497388790221098
Energy: 0.7353403284946248
Energy: 0.4946287451142152
Energy: 0.5572610206547743
Energy: 0.4946287451142152
Energy: 0.647639157714403
Energy: 0.6188365260943528
Energy: 0.4895895727964107
Energy: 0.6188365260948078
Energy: 0.8359328385943978
Energy: 0.465626944039199
Energy: 0.49125598784582963
Energy: 0.46562694403828914
Energy: 0.8332235280698783
Energy: 0.4104595171073877
Energy: 0.4899024312092757
Energy: 0.4104595171069327
Energy: 0.7876124103405321
Energy: 0.4215665587776181
Energy: 0.3812674733492566
Energy: 0.42156655877807303
Energy: 0.9298411737269474
Energy: 0.40227723392217934
Energy: 0.38128546967452664
Energy: 0.4022772339176301
Energy: 0.8311556160336302
Energy: 0.33902890113841944
Energy: 0.38138563252341573
Energy: 0.33902890121846624
Energy: 0.730517627086855
Energy: 0.34341103046797966
Energy: 0.3389209776493863
Energy: 0.34341103084085595
Energy: 0.8838739279167633
Energy: 0.33813011995033004
Energy: 0.3369021642898864
Energy: 0.33813011995033004
Energy: 0.7819809034605654
Energy: 0.3374944163111001
Energy: 0.34216768163245587
Energy: 0.33749441629927196

minimum gb energy = 0.3369021642898864 eV
minimum distance =  2.55078012202746 Angstroms
sigma value = 113


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

Energy: 0.011593854316089027
Energy: 0.2524771816371957
Energy: 0.6868200146908924
Energy: 0.2524771816365156
Energy: 0.5204361511043353
Energy: 0.0919820335398206
Energy: 0.5200343637814873
Energy: 0.09198203353949029
Energy: 0.012089000678654739
Energy: 0.09118908966546621
Energy: 0.5182350605682551
Energy: 0.09118908966511649
Energy: 0.011726504423932558
Energy: 0.09118285735397072
Energy: 0.6865581868429526
Energy: 0.09118285735364043
Energy: 0.6819475611028045
Energy: 0.09112335151614959
Energy: 0.5179554678256753
Energy: 0.09112335151546958
Energy: 0.012087049603175264
Energy: 0.09171626950117799
Energy: 0.5201250522283356
Energy: 0.09171626950152771

minimum gb energy = 0.011593854316089027 eV
minimum distance =  2.83881896414239 Angstroms
sigma value = 1