Model name: model_name=MEAM_LAMMPS_LeeShimBaskes_2003_Al__MO_353977746962_001
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=4.044650763273239
cohesive_energy=3.360264280667937
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=[2.06278639450866e-19, 2.6524835264187e-19, 3.0828281703111e-19, 3.42542159995932e-19, 3.7098079524943198e-19, 3.95159242833126e-19, 4.16019582607806e-19, 4.3418986781399995e-19, 4.50112299202692e-19, 4.641089142773159e-19, 4.76429652592776e-19, 4.872683775217859e-19, 4.959409596416279e-19, 5.040431668797659e-19, 5.1121450949355e-19, 5.17389298240986e-19, 5.22644437600506e-19, 5.2704401463747e-19, 5.3064891206397e-19, 5.335087973556599e-19, 5.356685314582919e-19, 5.371681687877159e-19, 5.38046161583148e-19, 5.38331349024e-19, 5.38023731110272e-19, 5.37030381597192e-19, 5.35229535060576e-19, 5.32472189073462e-19, 5.285869107360119e-19, 5.23362212732538e-19, 5.16548155508136e-19, 5.078355189724439e-19, 4.968542003230079e-19, 4.831459770425039e-19, 4.661420764258619e-19, 4.45142347284024e-19, 4.19262388115022e-19, 3.87383879628324e-19, 3.48079282443036e-19, 2.9950288907678997e-19, 2.3924502587205e-19, 1.6410935044398598e-19, 6.98005874545074e-20, -4.955259958934219e-20, -2.02137012851976e-19, -3.99602078639208e-19, -6.58964034327762e-19, -1.005825662528958e-18, -1.4800314939537417e-18, -2.1462758189064e-18, -3.11512805125254e-18, -4.58810516148678e-18, -6.96430934913852e-18, -1.112867083446498e-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: 0.010353198433737675
Energy: 0.01081279640588458
Energy: 0.4934470703166764
Energy: 0.05010198041405333
Energy: 0.01081279640588458
Energy: 0.4857079947359733
Energy: 0.050101980413552294
Energy: 0.4857079947359733
Energy: 0.4934470703166764
Energy: 0.050101980413552294
Energy: 0.010353198433737675
Energy: 0.01081279640588458
Energy: 0.050101980413552294
Energy: 0.4857079947359733
Energy: 0.01081279640588458
Energy: 0.48570799473547227

minimum gb energy = 0.010353198433737675 eV
minimum distance =  2.73407179191572 Angstroms
sigma value = 1


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

Energy: 0.5761669873401826
Energy: 0.5245636614963308
Energy: 0.5679830964699624
Energy: 0.5851505297221472
Energy: 0.5351700302078348
Energy: 0.5580347385777887
Energy: 0.530237076343772
Energy: 0.5580347385783962
Energy: 0.5675998396484738
Energy: 0.5706458970754058
Energy: 0.5300193739109009
Energy: 0.5706513856729536
Energy: 0.5300395112302527
Energy: 0.5502351555135166
Energy: 0.5306127546341567
Energy: 0.5502351555129089
Energy: 0.5396865450782908
Energy: 0.5494321047297138
Energy: 0.5332949432759654
Energy: 0.5494321047297138
Energy: 0.530215130333057
Energy: 0.5639695195236449
Energy: 0.5316565915976538
Energy: 0.5639695195236449
Energy: 0.543260012272388
Energy: 0.5658136046719128
Energy: 0.5411467381579738
Energy: 0.5658136046713051
Energy: 0.543534157824429
Energy: 0.5643426171769961
Energy: 0.5450901530130248
Energy: 0.5643426171769961
Energy: 0.5440817340744917
Energy: 0.552562124291044
Energy: 0.5451153679707829
Energy: 0.552562124291044
Energy: 0.5582095354542026
Energy: 0.5530090894208345
Energy: 0.5449595549107097
Energy: 0.5530090894214421
Energy: 0.5432043866087061
Energy: 0.5525514081151285
Energy: 0.5457879055115504
Energy: 0.5525514081151285
Energy: 0.5434566442957395
Energy: 0.5528895350724392
Energy: 0.5623152314172698
Energy: 0.5528895350724392
Energy: 0.5455073382821238
Energy: 0.5647215491289754
Energy: 0.5354960654594503
Energy: 0.5647215491289754
Energy: 0.5301756326584341
Energy: 0.5633164165660195
Energy: 0.5474481230663769
Energy: 0.5633164165666272
Energy: 0.5353357420794004
Energy: 0.5499037499637284
Energy: 0.5450474701094118
Energy: 0.549903749964336
Energy: 0.523627501798524
Energy: 0.5500950908418034
Energy: 0.5302537852444511
Energy: 0.5500950908424111
Energy: 0.5672488009298615
Energy: 0.5728872435751949
Energy: 0.5246678565524396
Energy: 0.5728872436195536
Energy: 0.5307412467886428
Energy: 0.5495424347694863
Energy: 0.5351039339006974
Energy: 0.5495424347700938
Energy: 0.5307825644046006
Energy: 0.5710966504785896
Energy: 0.5684898198861574
Energy: 0.571096648131669
Energy: 0.5292294998259174
Energy: 0.5496459235019143
Energy: 0.5297806612267906
Energy: 0.5496459235013066
Energy: 0.5325442754528799
Energy: 0.5493107612778335
Energy: 0.5402150358137371
Energy: 0.5493107612778335
Energy: 0.5320298444361143
Energy: 0.5497170432411632
Energy: 0.5299174960784391
Energy: 0.5497170432405556
Energy: 0.5411084366213748
Energy: 0.5650858696187017
Energy: 0.5428375711378867
Energy: 0.5650858696187017
Energy: 0.5470287854360515
Energy: 0.5489853317418625
Energy: 0.5415754040928983
Energy: 0.5489853317424702
Energy: 0.5511855686681364
Energy: 0.5530913618918752
Energy: 0.5444582143702696
Energy: 0.5530913618918752
Energy: 0.5455234165425704
Energy: 0.5537361437951874
Energy: 0.5594379064434711
Energy: 0.5537361437951874
Energy: 0.545373246142737
Energy: 0.5533004160584845
Energy: 0.5433387951927672
Energy: 0.5533004160590921
Energy: 0.5611138491485544
Energy: 0.5517753691992485
Energy: 0.5404784875587739
Energy: 0.5517753691992485
Energy: 0.5361823744543395
Energy: 0.5646957473154557
Energy: 0.5410034996038869
Energy: 0.5646957473160633
Energy: 0.5463742297317318
Energy: 0.5635249429326722
Energy: 0.5359022631742737
Energy: 0.5635249429326722
Energy: 0.5331630405977369
Energy: 0.5503066023788971
Energy: 0.5349970263912773
Energy: 0.5503066023788971
Energy: 0.5307677334440496
Energy: 0.5503237634755492
Energy: 0.5235150710016302
Energy: 0.5503237634749415
Energy: 0.5236288048152007
Energy: 0.5309217645677357
Energy: 0.5302795929538593
Energy: 0.5309217645683433

minimum gb energy = 0.5235150710016302 eV
minimum distance =  2.52972020187693 Angstroms
sigma value = 1


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

Energy: 0.6103756727918412
Energy: 0.5469269328699592
Energy: 0.5930680725746006
Energy: 0.5980673973485381
Energy: 0.559531642407414
Energy: 0.5825231827473328
Energy: 0.5536022286216384
Energy: 0.5825231827480257
Energy: 0.5932193731555795
Energy: 0.6101062974293165
Energy: 0.5531111011313444
Energy: 0.6101062974300094
Energy: 0.552501747159504
Energy: 0.5748416723918761
Energy: 0.5535774802311275
Energy: 0.5748416723925688
Energy: 0.5537387666055955
Energy: 0.5750577893422661
Energy: 0.5538192983438975
Energy: 0.5750577893436518
Energy: 0.5530049813837689
Energy: 0.5929277266734342
Energy: 0.5552062477965962
Energy: 0.5929277266748197
Energy: 0.5665665076269786
Energy: 0.5938020394537026
Energy: 0.5660058438500208
Energy: 0.593802039455781
Energy: 0.5678590793245115
Energy: 0.5883522450652909
Energy: 0.5692569113230825
Energy: 0.5883522450652909
Energy: 0.5660404794667636
Energy: 0.5836986696841286
Energy: 0.5695698753065297
Energy: 0.5836986696820501
Energy: 0.5675025574145878
Energy: 0.5857062781001107
Energy: 0.5673247186594305
Energy: 0.585706278098725
Energy: 0.559801687820471
Energy: 0.5935810323194562
Energy: 0.566264958947727
Energy: 0.5935810323187635
Energy: 0.5740010356000085
Energy: 0.5926755814466603
Energy: 0.5533578777095836
Energy: 0.5926755814473531
Energy: 0.5550622569331298
Energy: 0.5747228927840755
Energy: 0.5590486654672032
Energy: 0.5747228927840755
Energy: 0.553850996069178
Energy: 0.5746648502682402
Energy: 0.5451540104675274
Energy: 0.5746648502696259
Energy: 0.5451321471121114
Energy: 0.5528010592024785
Energy: 0.592820319274501
Energy: 0.5528010592017857
Energy: 0.5596992391319541
Energy: 0.5745570799387424
Energy: 0.5535630481117888
Energy: 0.5745570799373567
Energy: 0.5953543663860054
Energy: 0.6059221317741563
Energy: 0.5539043013972551
Energy: 0.6059221318821749
Energy: 0.5528766337447979
Energy: 0.5533710407547803
Energy: 0.5519005742373813
Energy: 0.5533710407540873
Energy: 0.5542034139085212
Energy: 0.5753412436295675
Energy: 0.5536981528438483
Energy: 0.5753412436302605
Energy: 0.5532220741213278
Energy: 0.5745542373801201
Energy: 0.5559158822526021
Energy: 0.5745542373787345
Energy: 0.5678456090428258
Energy: 0.5944585642634684
Energy: 0.5658218979907655
Energy: 0.5944585642620828
Energy: 0.5670152800716746
Energy: 0.5925003924074136
Energy: 0.5676975762344965
Energy: 0.5925003924087993
Energy: 0.5661820898305913
Energy: 0.5841722398346136
Energy: 0.5691866244981088
Energy: 0.5841722398339209
Energy: 0.5670170363953676
Energy: 0.5839846419527986
Energy: 0.5685751475020664
Energy: 0.5839846419541843
Energy: 0.559692928412194
Energy: 0.593874098245384
Energy: 0.5669835814267243
Energy: 0.593874098245384
Energy: 0.5615326675826564
Energy: 0.5926481394093885
Energy: 0.5539477656771471
Energy: 0.5926481394086957
Energy: 0.556794094586007
Energy: 0.5752663546331592
Energy: 0.5591357063128899
Energy: 0.5752663546324663
Energy: 0.5542565642426914
Energy: 0.5750496265581788
Energy: 0.5449721978508129
Energy: 0.575049626557486
Energy: 0.5448307373121236
Energy: 0.5537230124494293
Energy: 0.554305661116586
Energy: 0.5537230124480437

minimum gb energy = 0.5448307373121236 eV
minimum distance =  2.54275943171687 Angstroms
sigma value = 25


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

Energy: 0.6340600976712742
Energy: 0.5699095558957595
Energy: 0.6220259684730297
Energy: 0.6293667826465732
Energy: 0.5856432046590343
Energy: 0.6082149895636481
Energy: 0.5785930149509707
Energy: 0.6082149895636481
Energy: 0.621960043118066
Energy: 0.622560655505006
Energy: 0.6242458402804408
Energy: 0.622560655505006
Energy: 0.5769664002745214
Energy: 0.6030776249511415
Energy: 0.578641913608169
Energy: 0.6030776249511415
Energy: 0.5782371024816014
Energy: 0.6028166719670862
Energy: 0.5788957530527217
Energy: 0.6028166719678916
Energy: 0.5773194757549497
Energy: 0.633343718654242
Energy: 0.5804099431849136
Energy: 0.633343718654242
Energy: 0.5886545122775854
Energy: 0.6262307426714137
Energy: 0.5869423520588579
Energy: 0.6262307426714137
Energy: 0.587940908266952
Energy: 0.6104110145838652
Energy: 0.5732250900488541
Energy: 0.6104110145838652
Energy: 0.5883532144494095
Energy: 0.6261686560218747
Energy: 0.5855556823916714
Energy: 0.6261686560210693
Energy: 0.5771753373759457
Energy: 0.6258038996773944
Energy: 0.5792618657894829
Energy: 0.6258038996773944
Energy: 0.5666322354268417
Energy: 0.6027095105529982
Energy: 0.5805849440300402
Energy: 0.6027095105538034
Energy: 0.5665296154197732
Energy: 0.6027297967141615
Energy: 0.5785320916454848
Energy: 0.6027297967141615
Energy: 0.6219224057009358
Energy: 0.5764887312471213
Energy: 0.5668245852237426
Energy: 0.5764887312479267
Energy: 0.5788059575842049
Energy: 0.603236707231994
Energy: 0.5858503160980995
Energy: 0.603236707231994
Energy: 0.5774463402881174
Energy: 0.622260757752267
Energy: 0.623415388690537
Energy: 0.622260757752267
Energy: 0.575704683754553
Energy: 0.577283592795046
Energy: 0.5767487665866469
Energy: 0.5772835927942405
Energy: 0.5786056756554521
Energy: 0.602826232269096
Energy: 0.5780304370976388
Energy: 0.602826232269096
Energy: 0.5796288184278852
Energy: 0.6026613480275431
Energy: 0.5777663722691886
Energy: 0.6026613480275431
Energy: 0.5876099056805035
Energy: 0.6275006537552758
Energy: 0.576702751531753
Energy: 0.6275006537552758
Energy: 0.5734244372146814
Energy: 0.6256054761971224
Energy: 0.5892637525994162
Energy: 0.6256054761971224
Energy: 0.585412994753395
Energy: 0.6274158803407264
Energy: 0.5880775081700191
Energy: 0.6274158803407264
Energy: 0.5854754198940122
Energy: 0.6263312151056901
Energy: 0.5788115381672696
Energy: 0.6263312151056901
Energy: 0.5841841943060566
Energy: 0.6031229301959128
Energy: 0.5665874062177224
Energy: 0.6031229301951073
Energy: 0.5789375344269766
Energy: 0.6033244834691047
Energy: 0.5665191554135948
Energy: 0.6033244834691047
Energy: 0.566682033196368
Energy: 0.5767415717604807
Energy: 0.5766228371663327
Energy: 0.5767415717604807

minimum gb energy = 0.5665191554135948 eV
minimum distance =  2.54764487185678 Angstroms
sigma value = 9


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

Energy: 0.6863724848621893
Energy: 0.627329598273147
Energy: 0.6652559442655483
Energy: 0.6649192433135672
Energy: 0.6031473571170104
Energy: 0.6428147419675417
Energy: 0.6110490249553563
Energy: 0.6428147419665808
Energy: 0.6629261726354071
Energy: 0.6625900502839555
Energy: 0.6209014561865859
Energy: 0.6625900502839555
Energy: 0.6019598537053173
Energy: 0.661439958553831
Energy: 0.6110221066750817
Energy: 0.661439958553831
Energy: 0.5988918978379469
Energy: 0.6451828297814229
Energy: 0.6110686163150578
Energy: 0.6451828297814229
Energy: 0.6021984833680114
Energy: 0.6869631602293673
Energy: 0.6119945132277802
Energy: 0.6869631602303281
Energy: 0.6032683834701765
Energy: 0.6626126592323383
Energy: 0.6109410317319471
Energy: 0.6626126592342599
Energy: 0.6327824094441565
Energy: 0.6431914537554634
Energy: 0.6433784416068761
Energy: 0.6431914537564243
Energy: 0.6305053893414758
Energy: 0.6939064781115226
Energy: 0.616255944464579
Energy: 0.6939064781115226
Energy: 0.5948039904132258
Energy: 0.6574292255782491
Energy: 0.6161352840860813
Energy: 0.6574292255782491
Energy: 0.5843704902375577
Energy: 0.5845517690046861
Energy: 0.5967215635850932
Energy: 0.5845517690056468
Energy: 0.5945376518306654
Energy: 0.5846306655869827
Energy: 0.5964767154820446
Energy: 0.5846306655869827
Energy: 0.6895807564520824
Energy: 0.7088222462837588
Energy: 0.6209298223179422
Energy: 0.7088222435284943
Energy: 0.6328388067354327
Energy: 0.5964319429141831
Energy: 0.6214094486181987
Energy: 0.5964319429132224
Energy: 0.5986974972455666
Energy: 0.6240432617725022
Energy: 0.6147917371481687
Energy: 0.6240432617725022
Energy: 0.6072091391705281
Energy: 0.6208001331787674
Energy: 0.6101800754886596
Energy: 0.6208001331787674
Energy: 0.6037891648204812
Energy: 0.6836145989882861
Energy: 0.6103804528649207
Energy: 0.6836145989882861
Energy: 0.6037743608841762
Energy: 0.6839203075597949
Energy: 0.6114370888723205
Energy: 0.6839203075588342
Energy: 0.6073825927396523
Energy: 0.6427470997038414
Energy: 0.6163593046745839
Energy: 0.6427470997038414
Energy: 0.6066675217748174
Energy: 0.6427700202303782
Energy: 0.6162527978452137
Energy: 0.642770020231339
Energy: 0.6171670102444754
Energy: 0.6063661492513736
Energy: 0.657647624326874
Energy: 0.6063661492513736

minimum gb energy = 0.5843704902375577 eV
minimum distance =  2.55812622969775 Angstroms
sigma value = 25


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

Energy: 0.7026509944105904
Energy: 0.5943591285306007
Energy: 0.6726132020807327
Energy: 0.6738576771568999
Energy: 0.5886207800698824
Energy: 0.6247261503685847
Energy: 0.6031890275011417
Energy: 0.6247261503685847
Energy: 0.6721658624393703
Energy: 0.6724968608920207
Energy: 0.5892625022326645
Energy: 0.6724968608920207
Energy: 0.5916080183370412
Energy: 0.6261333035331268
Energy: 0.6037021951860854
Energy: 0.6261333035331268
Energy: 0.6015671222229854
Energy: 0.6567052181030654
Energy: 0.6040016246964636
Energy: 0.6567052181030654
Energy: 0.5905224604998466
Energy: 0.6568367863787965
Energy: 0.6028850781637509
Energy: 0.6568367863787965
Energy: 0.5882430404700925
Energy: 0.6568531548259307
Energy: 0.603007363705615
Energy: 0.6568531548271188
Energy: 0.5882385168912465
Energy: 0.656184262759056
Energy: 0.6033787824332463
Energy: 0.656184262759056
Energy: 0.6716068635326261
Energy: 0.5907677994259285
Energy: 0.587841593020587
Energy: 0.5907677994259285
Energy: 0.6039364748750753
Energy: 0.5907027982268367
Energy: 0.5885032796513879
Energy: 0.5907027982268367
Energy: 0.5892864638488727
Energy: 0.672308868099486
Energy: 0.6757851825644453
Energy: 0.672308868099486
Energy: 0.5917162905128498
Energy: 0.6258412159716585
Energy: 0.5904386712713325
Energy: 0.6258412159728468
Energy: 0.6025134682905721
Energy: 0.6564828564687912
Energy: 0.6002486041785252
Energy: 0.6564828564687912
Energy: 0.6033089249837692
Energy: 0.6559201492788151
Energy: 0.5915147850621462
Energy: 0.6559201492788151
Energy: 0.6023322198947568
Energy: 0.6558545166730542
Energy: 0.5882739824617769
Energy: 0.6558545166730542
Energy: 0.6025080021896666
Energy: 0.6572155795273515
Energy: 0.5889498805316539
Energy: 0.6572155795273515
Energy: 0.5907329936062654
Energy: 0.5906101787039533
Energy: 0.5920107922054387
Energy: 0.5906101787039533

minimum gb energy = 0.587841593020587 eV
minimum distance =  2.6294930144749 Angstroms
sigma value = 17


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

Energy: 1.0030730557521566
Energy: 0.6961331548489245
Energy: 0.7368174890220807
Energy: 0.7389736823115234
Energy: 0.5992053330437275
Energy: 0.633690282682369
Energy: 0.6380812875744859
Energy: 0.6336902826803502
Energy: 0.6490016777302466
Energy: 0.6468755812243847
Energy: 0.6744888332788039
Energy: 0.6468755816118128
Energy: 0.6375872289007117
Energy: 0.6575041897253477
Energy: 0.6374789259903182
Energy: 0.6575041897246748
Energy: 0.6370946124129666
Energy: 0.6860507194133807
Energy: 0.5991318829671491
Energy: 0.6860507194133807
Energy: 0.6383117915924805
Energy: 0.6850312057431296
Energy: 0.6371717011691953
Energy: 0.6850312057424568
Energy: 0.6735632418388904
Energy: 0.6367345925408728
Energy: 0.6472421899974848
Energy: 0.6367345925415459
Energy: 0.6792493854712983
Energy: 0.6374320196424653
Energy: 0.6179293406416837
Energy: 0.6374320196424653
Energy: 0.738985414516544
Energy: 0.7357297866957972
Energy: 0.6743161971851139
Energy: 0.7357297866924324
Energy: 0.7089677843581239
Energy: 0.6707955955774286
Energy: 0.638745036192534
Energy: 0.6707955955774286
Energy: 0.6364586604264824
Energy: 0.6305825320138989
Energy: 0.6084702997909387
Energy: 0.6305825320132261
Energy: 0.6765709432550139
Energy: 0.6303285278466567
Energy: 0.6175792177985062
Energy: 0.6303285278466567
Energy: 0.674402988618815
Energy: 0.6299987212960269
Energy: 0.6291549100009508
Energy: 0.6299987212960269
Energy: 0.6758300527801937
Energy: 0.6325073354078437
Energy: 0.6090039365830171
Energy: 0.6325073354085164
Energy: 0.7097930347316095
Energy: 0.6745934147919914
Energy: 0.6732006547474843
Energy: 0.6745934147919914
Energy: 0.6673764094198075
Energy: 0.6751411577709749
Energy: 0.6732477736071998
Energy: 0.6751411577709749
Energy: 0.6743009442126462
Energy: 0.6377383179297608
Energy: 0.6088841349967145
Energy: 0.637738317929088
Energy: 0.6743552237707237
Energy: 0.6377478750155858
Energy: 0.6457642211955124
Energy: 0.6377478750155858
Energy: 0.6393330613043008
Energy: 0.6862059484431481
Energy: 0.6377704655378358
Energy: 0.6862059484431481
Energy: 0.6571822685875184
Energy: 0.6858732032048988
Energy: 0.6372428627292593
Energy: 0.6858732032048988
Energy: 0.6409122494389243
Energy: 0.6383040022790399
Energy: 0.6752784215594572
Energy: 0.6383040022797128
Energy: 0.6467774089157294
Energy: 0.6475634308054216
Energy: 0.6735139153937835
Energy: 0.6475634310166319
Energy: 0.638173270199994
Energy: 0.6666741287314729
Energy: 0.6508525828138441
Energy: 0.6666741287321459
Energy: 0.6742152896564332
Energy: 0.7350934686155058
Energy: 0.7355056047205217
Energy: 0.7350934769219298
Energy: 0.6193461759020121
Energy: 0.6309826678334012
Energy: 0.6753370004167634
Energy: 0.6309826678327283
Energy: 0.6180696975020538
Energy: 0.6311923199621804
Energy: 0.636294749369071
Energy: 0.6311923199615074
Energy: 0.6091319655468964
Energy: 0.6085223675690273
Energy: 0.6749876050644386
Energy: 0.6085223675690273
Energy: 0.6115177354447405
Energy: 0.6316928236139822
Energy: 0.6737760755947162
Energy: 0.6316928236126362
Energy: 0.620860293679387
Energy: 0.6300832981019325
Energy: 0.6740668702220162
Energy: 0.6300832981026054
Energy: 0.6732498471042754
Energy: 0.7362775299243179
Energy: 0.7363970785025928
Energy: 0.7362775293747733

minimum gb energy = 0.5991318829671491 eV
minimum distance =  2.55561041954287 Angstroms
sigma value = 53


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

Energy: 0.8858361843892403
Energy: 0.562370013824054
Energy: 0.6644666382361374
Energy: 0.6635594269702049
Energy: 0.819007536757583
Energy: 0.5852986479969413
Energy: 0.6893100507573166
Energy: 0.5852986479969413
Energy: 0.6634388242828432
Energy: 0.6636560786728755
Energy: 0.7181334751766437
Energy: 0.6636560786728755
Energy: 0.6881100602526825
Energy: 0.5860833340198469
Energy: 0.6873527820415835
Energy: 0.5860833340182978
Energy: 0.6996721946591195
Energy: 0.5854335631139956
Energy: 0.5526393655973986
Energy: 0.5854335631139956
Energy: 0.6870227974501629
Energy: 0.5865906642163271
Energy: 0.5529026738498738
Energy: 0.5865906642163271
Energy: 0.8164960468529843
Energy: 0.6631804821479232
Energy: 0.6625351042352239
Energy: 0.6631804821479232
Energy: 0.8167452722327522
Energy: 0.5864598585305271
Energy: 0.6870229064510991
Energy: 0.5864598585305271
Energy: 0.6639482680723248
Energy: 0.6636784724354597
Energy: 0.716890212106498
Energy: 0.6636784724354597
Energy: 0.6871368820891761
Energy: 0.5858644514184883
Energy: 0.6871454787059104
Energy: 0.5858644514200375
Energy: 0.6979935861125709
Energy: 0.5864601614087953
Energy: 0.5528916223165485
Energy: 0.5864601614087953
Energy: 0.6885479870010061
Energy: 0.5860051995534892
Energy: 0.5549583710020385
Energy: 0.5860051995534892
Energy: 0.8168222810565724
Energy: 0.586494454415761
Energy: 0.6867524939284434
Energy: 0.586494454415761

minimum gb energy = 0.5526393655973986 eV
minimum distance =  2.61331542222163 Angstroms
sigma value = 9


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

Energy: 0.8468573727448873
Energy: 0.7393316311052675
Energy: 0.7638011000245906
Energy: 0.7648116525132335
Energy: 0.6906514263883563
Energy: 0.6218390451038087
Energy: 0.742444720302555
Energy: 0.6218390451043821
Energy: 0.6225367795754473
Energy: 0.6354468496489316
Energy: 0.7849411871147562
Energy: 0.6354468496489316
Energy: 0.6258927172288674
Energy: 0.6219092961017495
Energy: 0.7709136213898412
Energy: 0.6219092961017495
Energy: 0.6266781107154669
Energy: 0.6218954666358165
Energy: 0.7228854614886104
Energy: 0.6218954666358165
Energy: 0.6503574318164708
Energy: 0.6216743536496442
Energy: 0.7219174160361294
Energy: 0.6216743536496442
Energy: 0.8616661400044269
Energy: 0.7680451121607805
Energy: 0.7657024245176078
Energy: 0.7680451121607805
Energy: 0.7734403983589027
Energy: 0.6905558892455672
Energy: 0.7651972161945092
Energy: 0.6905558892449939
Energy: 0.6632426103042738
Energy: 0.7517920906927184
Energy: 0.668622157337068
Energy: 0.7517920906927184
Energy: 0.6137589027028469
Energy: 0.6687693165166317
Energy: 0.6898898211329899
Energy: 0.6687693165160584
Energy: 0.6663527088858276
Energy: 0.6761007443109507
Energy: 0.7848470025636061
Energy: 0.6761007443103773
Energy: 0.6918501302671061
Energy: 0.6775815074009836
Energy: 0.8485655396360773
Energy: 0.6783536272886662
Energy: 0.7756036095597583
Energy: 0.686347699649692
Energy: 0.7096038603791799
Energy: 0.6863476996491186
Energy: 0.7931231881797912
Energy: 0.6703234098148394
Energy: 0.680976225477164
Energy: 0.6703234098148394
Energy: 0.7652151071894002
Energy: 0.6760161679868619
Energy: 0.6334946613019475
Energy: 0.6760161679868619
Energy: 0.7226821919316213
Energy: 0.6762363068753522
Energy: 0.632607049509728
Energy: 0.6762363068753522
Energy: 0.6890204244573194
Energy: 0.675654023302654
Energy: 0.6711641758939372
Energy: 0.6756540233020807
Energy: 0.7629273738215041
Energy: 0.7678834620119163
Energy: 0.8469497491061705
Energy: 0.7678834610106456
Energy: 0.7559472371330266
Energy: 0.6214990879636777
Energy: 0.6910434556561239
Energy: 0.6214990879636777
Energy: 0.7847032153548484
Energy: 0.6375416546132008
Energy: 0.6364259451887123
Energy: 0.6375416546137741
Energy: 0.7717911427138574
Energy: 0.622584217426512
Energy: 0.6239913945435166
Energy: 0.6225842174259386
Energy: 0.7219829518839648
Energy: 0.6217373500451617
Energy: 0.625343604960206
Energy: 0.6217373500440149
Energy: 0.7223405958008412
Energy: 0.6217459006947642
Energy: 0.6485683855462618
Energy: 0.621745900695885
Energy: 0.7661144237698398
Energy: 0.6916196345642843
Energy: 0.8584717688202935
Energy: 0.6916188461403789
Energy: 0.7641654758236289
Energy: 0.6915938061749329
Energy: 0.7752266843221322
Energy: 0.6915938061755065
Energy: 0.6697352151327142
Energy: 0.6882738638239914
Energy: 0.6627989364621909
Energy: 0.6882738638245647
Energy: 0.7203622818604944
Energy: 0.668720675715778
Energy: 0.6133228230641279
Energy: 0.668720675715778
Energy: 0.8013093805344569
Energy: 0.6831118117674334
Energy: 0.6656630975655418
Energy: 0.6831118117668601
Energy: 0.84739440290234
Energy: 0.688532212924934
Energy: 0.6894223018483868
Energy: 0.6885322072640557
Energy: 0.7244154461742853
Energy: 0.6860724106418384
Energy: 0.774163361689744
Energy: 0.6860724106412651
Energy: 0.6814354894715517
Energy: 0.6861150305330806
Energy: 0.7865560028154907
Energy: 0.6861150305198926
Energy: 0.6392517005564926
Energy: 0.6854093481247238
Energy: 0.7668044809751927
Energy: 0.6854093481247238
Energy: 0.6316053159264937
Energy: 0.6764102439221923
Energy: 0.7232356412289267
Energy: 0.6764102439221923
Energy: 0.6700573528639128
Energy: 0.6757583659828197
Energy: 0.6481290460312925
Energy: 0.6757583659833931
Energy: 0.8480325179391739
Energy: 0.7662538020674478
Energy: 0.7629624324859182
Energy: 0.7662538020640074

minimum gb energy = 0.6133228230641279 eV
minimum distance =  2.5384276072399 Angstroms
sigma value = 73


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

Energy: 0.8877572865142849
Energy: 0.6700655815776926
Energy: 0.720053781755601
Energy: 0.7192677430085044
Energy: 0.6367032250699189
Energy: 0.6358293791073025
Energy: 0.6708199525939962
Energy: 0.6358293791082122
Energy: 0.6315140824962369
Energy: 0.6334332133978096
Energy: 0.7489217519758993
Energy: 0.6334332133969
Energy: 0.6309737065164926
Energy: 0.6313245385882051
Energy: 0.7206004365752658
Energy: 0.6313245385891151
Energy: 0.6402275561653533
Energy: 0.6372556563913733
Energy: 0.7651814311237305
Energy: 0.6372556563913733
Energy: 0.6538780579121197
Energy: 0.6380078135376634
Energy: 0.7900499685443638
Energy: 0.6380078135376634
Energy: 0.6975606826009265
Energy: 0.7720561137029119
Energy: 0.7590408307988045
Energy: 0.7720561137020022
Energy: 0.7007982681441035
Energy: 0.6901929091545413
Energy: 0.6173661001761392
Energy: 0.690192909155451
Energy: 0.6564150831043251
Energy: 0.7414582943596681
Energy: 0.7529225706393309
Energy: 0.7414582943596681
Energy: 0.6600241641796133
Energy: 0.6959946363307712
Energy: 0.6131482981338507
Energy: 0.6959946363307712
Energy: 0.6781832756189765
Energy: 0.6350685288488208
Energy: 0.6311381903129241
Energy: 0.6350685288488208
Energy: 0.6591928285287337
Energy: 0.6220957416981246
Energy: 0.7924091953404705
Energy: 0.6220957416990344
Energy: 0.7225189080441029
Energy: 0.6636786124882084
Energy: 0.6129859711145808
Energy: 0.6636786124882084
Energy: 0.7512529481701782
Energy: 0.6859204419936289
Energy: 0.6686192454568222
Energy: 0.6859204419936289
Energy: 0.6702402082094735
Energy: 0.6765023702618492
Energy: 0.6306036767939037
Energy: 0.6765023702618492
Energy: 0.7658089903601953
Energy: 0.6715711591621853
Energy: 0.6720798906919244
Energy: 0.6715711591621853
Energy: 0.670179876174811
Energy: 0.6728233322701552
Energy: 0.6847134312560896
Energy: 0.6728233322701552
Energy: 0.7388156082270705
Energy: 0.730447028916656
Energy: 0.8360582294270179
Energy: 0.730447028916656
Energy: 0.6337901543461314
Energy: 0.6674099500252031
Energy: 0.7711974936619358
Energy: 0.6674099500252031
Energy: 0.7139451923416412
Energy: 0.6646183220119509
Energy: 0.6683739831054055
Energy: 0.6646183220119509
Energy: 0.6337589077041105
Energy: 0.7064220616879289
Energy: 0.6616531957412198
Energy: 0.7064220616879289
Energy: 0.8257792620459784
Energy: 0.6650253241226658
Energy: 0.7348647634891522
Energy: 0.6650253241226658

minimum gb energy = 0.6129859711145808 eV
minimum distance =  2.53656865553028 Angstroms
sigma value = 7


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

Energy: 1.0219092639601266
Energy: 0.6949998168485876
Energy: 0.7373024182731844
Energy: 0.7189343037907782
Energy: 0.6232690785197037
Energy: 0.6300020786172772
Energy: 0.645371864633893
Energy: 0.6300020786172772
Energy: 0.6255904087151319
Energy: 0.6260488575212196
Energy: 0.6903127705214073
Energy: 0.6260488575192898
Energy: 0.6254975063040267
Energy: 0.6253705696660476
Energy: 0.6512833247604237
Energy: 0.6253705696660476
Energy: 0.6283343092797214
Energy: 0.6341317362324207
Energy: 0.7557729740253961
Energy: 0.6341317362304909
Energy: 0.660902229901399
Energy: 0.6270000566165097
Energy: 0.7555917957214733
Energy: 0.6270000566165097
Energy: 0.7683034597904387
Energy: 0.6258303507962488
Energy: 0.6527376347890471
Energy: 0.6258303507962488
Energy: 0.6557394451535371
Energy: 0.6273568481100767
Energy: 0.6529027178805379
Energy: 0.62735684811072
Energy: 0.6468232154071331
Energy: 0.6258272267472691
Energy: 0.6296429463200537
Energy: 0.6258272267479125
Energy: 0.7500189197454837
Energy: 0.6461161820108704
Energy: 0.6262017189176489
Energy: 0.6461161820095838
Energy: 0.6505259329189259
Energy: 0.6587649056690499
Energy: 0.6525992124156351
Energy: 0.6587649056677632
Energy: 0.7207343677909681
Energy: 0.7049481849260143
Energy: 0.76722056519312
Energy: 0.704948184922798
Energy: 0.696731306442094
Energy: 0.6559862889606346
Energy: 0.6359228316902029
Energy: 0.655986288959348
Energy: 0.694319754600102
Energy: 0.6562742051824156
Energy: 0.6313728802070165
Energy: 0.656274205181129
Energy: 0.6338965262571589
Energy: 0.6561362989339051
Energy: 0.6351060830284709
Energy: 0.6561362989332619
Energy: 0.7848329921355435
Energy: 0.7045094917204926
Energy: 0.7375408772981912
Energy: 0.7045094917204926
Energy: 0.6692689600934378
Energy: 0.6588295829346242
Energy: 0.7052145271388763
Energy: 0.6588295829339811
Energy: 0.6300417105291302
Energy: 0.7717063389899314
Energy: 0.6895631252374842
Energy: 0.7717063389905746
Energy: 0.6293918056160429
Energy: 0.6258892726169278
Energy: 0.6468290665156721
Energy: 0.6258892726169278
Energy: 0.653470044631434
Energy: 0.6267299273468183
Energy: 0.6691302155525377
Energy: 0.6267299273468183
Energy: 0.6250204838932627
Energy: 0.6261089397210744
Energy: 0.7524055862961059
Energy: 0.6261089397217177
Energy: 0.7716197315680924
Energy: 0.6331270414957052
Energy: 0.662405326933512
Energy: 0.6331270414957052
Energy: 0.7707480873640321
Energy: 0.6340198595982004
Energy: 0.6275621230439746
Energy: 0.6340198595956271
Energy: 0.6516173706720552
Energy: 0.6250818639998281
Energy: 0.6255146628601368
Energy: 0.6250818640011147
Energy: 0.7508492302789043
Energy: 0.6261909305837841
Energy: 0.6261176031131888
Energy: 0.6261909305831408
Energy: 0.6889589391385496
Energy: 0.6259351768572354
Energy: 0.6273415184485192
Energy: 0.6259351768565923
Energy: 0.7382820298244944
Energy: 0.7488653939216106
Energy: 0.8849388041427132
Energy: 0.7488653948571695
Energy: 0.6283706928266272
Energy: 0.6571625509952114
Energy: 0.6323203025356308
Energy: 0.6571625509977844
Energy: 0.6909161036160579
Energy: 0.657170342483764
Energy: 0.6262417357448149
Energy: 0.6571703424844074
Energy: 0.6274770280360986
Energy: 0.6275588985989663
Energy: 0.6308127653617396
Energy: 0.6275588986002527
Energy: 0.7860809796035106
Energy: 0.6565525642679753
Energy: 0.7402632161722973
Energy: 0.6565525642686185

minimum gb energy = 0.6232690785197037 eV
minimum distance =  2.5392031231427 Angstroms
sigma value = 29


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

Energy: 0.5605051661044098
Energy: 0.5608409153666336
Energy: 0.6636338182220852
Energy: 0.6909638349833567
Energy: 0.5846372568377908
Energy: 0.6183298936459427
Energy: 0.5697445954491447
Energy: 0.6183298936457186
Energy: 0.6650444201891428
Energy: 0.5964211951239717
Energy: 0.5671452598217872
Energy: 0.5964211951239717
Energy: 0.5606845296466829
Energy: 0.569310818788073
Energy: 0.5714855760430848
Energy: 0.569310818788073
Energy: 0.6633647509902089
Energy: 0.569468254590494
Energy: 0.560577124734315
Energy: 0.56946825459027
Energy: 0.5704425454902314
Energy: 0.5952673905812054
Energy: 0.560577871273469
Energy: 0.5952673905809812
Energy: 0.5660824608629348
Energy: 0.59726768493311
Energy: 0.6652242270257421
Energy: 0.5972676849333342
Energy: 0.5707347164019761
Energy: 0.5697723576704928
Energy: 0.560831355447995
Energy: 0.5697723576709409
Energy: 0.5609255280322124
Energy: 0.569693257600089
Energy: 0.5704237037273384
Energy: 0.569693257599865

minimum gb energy = 0.5605051661044098 eV
minimum distance =  2.58219124049074 Angstroms
sigma value = 5


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

Energy: 0.7745458028372065
Energy: 0.5828832016298144
Energy: 0.6968372817805657
Energy: 0.6954798699513614
Energy: 0.5891047715733334
Energy: 0.583912771396007
Energy: 0.6426505961075973
Energy: 0.583912771396007
Energy: 0.6436710532218483
Energy: 0.5871175953614093
Energy: 0.6852411852922956
Energy: 0.5871175953601941
Energy: 0.5907259689085004
Energy: 0.5837191143615441
Energy: 0.6552513124780442
Energy: 0.5837191143615441
Energy: 0.6170744751894449
Energy: 0.608655115489139
Energy: 0.6893453952314796
Energy: 0.608655115489139
Energy: 0.6087117678513353
Energy: 0.6084268010783177
Energy: 0.6895901590361927
Energy: 0.6084268010783177
Energy: 0.5845318128849069
Energy: 0.5848115123475767
Energy: 0.6555762301232074
Energy: 0.5848115123469692
Energy: 0.5840193484130654
Energy: 0.5842212719454837
Energy: 0.7771514507259325
Energy: 0.5842212719454837
Energy: 0.6144520535074542
Energy: 0.6677937086480549
Energy: 0.6669345452665284
Energy: 0.6677937086480549
Energy: 0.681991331090304
Energy: 0.5787452670431905
Energy: 0.5901876689380221
Energy: 0.5787452670437983
Energy: 0.6139270002337959
Energy: 0.5786780288324694
Energy: 0.5812044411366192
Energy: 0.5786780288324694
Energy: 0.7840822944827023
Energy: 0.5788159441940633
Energy: 0.5787356843926261
Energy: 0.5788159441940633
Energy: 0.7796992901947687
Energy: 0.6676364898797936
Energy: 0.5783922614893067
Energy: 0.6676364898797936
Energy: 0.6243994039384314
Energy: 0.6669354641819542
Energy: 0.6860475263785986
Energy: 0.6669354641819542
Energy: 0.5862605617775557
Energy: 0.6054506769179345
Energy: 0.6901546567596488
Energy: 0.6054506769173269
Energy: 0.588393926503848
Energy: 0.5844627533793874
Energy: 0.6280561712564022
Energy: 0.584462753379995
Energy: 0.6961265354706092
Energy: 0.5846025197938858
Energy: 0.5925348777687828
Energy: 0.5846025197938858
Energy: 0.6425932329883691
Energy: 0.5838318068821633
Energy: 0.5895762500285012
Energy: 0.5838318068821633
Energy: 0.6831688058278395
Energy: 0.6187042177214299
Energy: 0.6417774771896948
Energy: 0.6187042177208223
Energy: 0.6561948136581552
Energy: 0.5844438434724248
Energy: 0.5887798347974125
Energy: 0.5844438434730325
Energy: 0.6900942948918144
Energy: 0.6123148348557553
Energy: 0.6543662946177657
Energy: 0.6123148348557553
Energy: 0.6861619961999328
Energy: 0.6087078186682194
Energy: 0.6104842786530497
Energy: 0.6087078186682194
Energy: 0.655340790706827
Energy: 0.5840653451863809
Energy: 0.58581655061756
Energy: 0.5840653451863809
Energy: 0.7804021316542038
Energy: 0.5842776400633787
Energy: 0.5843251001132642
Energy: 0.5842776400633787
Energy: 0.6649872214325996
Energy: 0.6673582350537259
Energy: 0.6140487450570522
Energy: 0.6673582350537259
Energy: 0.5919305758081196
Energy: 0.5790388590442017
Energy: 0.6820094055414481
Energy: 0.579038846384531
Energy: 0.5937416381343408
Energy: 0.5785637965511944
Energy: 0.6142707089957843
Energy: 0.5785637965524097
Energy: 0.5793686732143143
Energy: 0.5810492294384969
Energy: 0.5900778556246473
Energy: 0.5810492294384969
Energy: 0.5785410202462014
Energy: 0.578113850208688
Energy: 0.7765551569924857
Energy: 0.5781138502080803
Energy: 0.6907935452222136
Energy: 0.6668047019483904
Energy: 0.6144737709162392
Energy: 0.6668047019477827
Energy: 0.6909669449599997
Energy: 0.6038054089969891
Energy: 0.5865796253495252
Energy: 0.6038054089969891
Energy: 0.6286391642172693
Energy: 0.5842397560946413
Energy: 0.5859417914069369
Energy: 0.5842397560952489
Energy: 0.5909316519048068
Energy: 0.5841673877996169
Energy: 0.6957301183199956
Energy: 0.5841673877990092

minimum gb energy = 0.5781138502080803 eV
minimum distance =  2.5235241345003 Angstroms
sigma value = 1


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

Energy: 0.9073995116257201
Energy: 0.5669068810477689
Energy: 0.6890874053147851
Energy: 0.6880596986143366
Energy: 0.6188375985103104
Energy: 0.5665054062943234
Energy: 0.6477094158657053
Energy: 0.5665054062934831
Energy: 0.6486047769218819
Energy: 0.610828533596673
Energy: 0.7033437019922464
Energy: 0.6108285335975132
Energy: 0.6307199084718884
Energy: 0.6578762401873736
Energy: 0.6584983382320686
Energy: 0.6578762401873736
Energy: 0.6435774012542145
Energy: 0.5685991579572686
Energy: 0.6349930504859645
Energy: 0.5685991579572686
Energy: 0.5686942455697265
Energy: 0.5685035055053457
Energy: 0.628027545665149
Energy: 0.5685035055045055
Energy: 0.568646727768128
Energy: 0.5685347049636438
Energy: 0.6589189247352578
Energy: 0.5685347049628037
Energy: 0.5684052823855803
Energy: 0.5689848006444163
Energy: 0.7589142650281524
Energy: 0.5689848006444163
Energy: 0.5638568218112079
Energy: 0.6007029392129299
Energy: 0.6550740185585976
Energy: 0.6007029392121088
Energy: 0.7568481181668898
Energy: 0.6409578706386176
Energy: 0.595125911341092
Energy: 0.6409578706386176
Energy: 0.5628556015193333
Energy: 0.5502971220562709
Energy: 0.6225864007209
Energy: 0.5502971220562709
Energy: 0.6761502914914653
Energy: 0.5510923811684305
Energy: 0.5896847212862858
Energy: 0.5510923811692708
Energy: 0.8252346508109123
Energy: 0.5503069482232977
Energy: 0.5986072995466454
Energy: 0.5503069482232977
Energy: 0.5641463261010152
Energy: 0.5506383347388417
Energy: 0.7587201204793637
Energy: 0.5506383347388417
Energy: 0.6277302817292197
Energy: 0.5920222293613191
Energy: 0.6523892430358254
Energy: 0.5920222293621593
Energy: 0.627451594899374
Energy: 0.5686913214193222
Energy: 0.6523688612617023
Energy: 0.5686913214193222
Energy: 0.693016491370717
Energy: 0.5687344434403889
Energy: 0.6522877094479766
Energy: 0.5687344434403889
Energy: 0.5984781928428836
Energy: 0.5683295204455473
Energy: 0.6432569290701389
Energy: 0.5683295204455473
Energy: 0.5721827912143311
Energy: 0.5708327132303741
Energy: 0.6551798040180363
Energy: 0.5708327132303741
Energy: 0.5683329008348549
Energy: 0.5954622373697298
Energy: 0.7610666599713853
Energy: 0.5954622373697298
Energy: 0.6512871969324963
Energy: 0.6009046474449363
Energy: 0.6484733087102614
Energy: 0.6009046474449363
Energy: 0.7028105680178284
Energy: 0.566370073045465
Energy: 0.5666988912866118
Energy: 0.566370073045465
Energy: 0.6371729944902813
Energy: 0.5665250517108837
Energy: 0.5673754399662452
Energy: 0.566525051711724
Energy: 0.7627026630581111
Energy: 0.5662601429029217
Energy: 0.5665302499082355
Energy: 0.5662601429029217

minimum gb energy = 0.5502971220562709 eV
minimum distance =  2.51907540683859 Angstroms
sigma value = 17


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

Energy: 0.8707669960883623
Energy: 0.5565556917092341
Energy: 0.681730845565996
Energy: 0.6801662642521463
Energy: 0.5554779734580485
Energy: 0.5520137945673029
Energy: 0.6233139415479992
Energy: 0.5520137945667837
Energy: 0.6822976400140193
Energy: 0.5522227964000583
Energy: 0.6354782203883356
Energy: 0.5522227963985005
Energy: 0.7110876028427509
Energy: 0.549413852827474
Energy: 0.6058454118746243
Energy: 0.5494138528285127
Energy: 0.5971914683544979
Energy: 0.5487798318890157
Energy: 0.669782299454113
Energy: 0.5487798318921315
Energy: 0.5492627277227323
Energy: 0.5488283261370993
Energy: 0.6698784755238458
Energy: 0.5488283261376186
Energy: 0.549221051554719
Energy: 0.5483010923738777
Energy: 0.6050754587309706
Energy: 0.5483010923738777
Energy: 0.5545213820992451
Energy: 0.5485251839684837
Energy: 0.8701307133859559
Energy: 0.5485251839669258
Energy: 0.6754699795221577
Energy: 0.548721213574207
Energy: 0.6810941133855801
Energy: 0.5487212135747263
Energy: 0.6321839128468607
Energy: 0.5783240698481623
Energy: 0.6033395184373094
Energy: 0.578324069847643
Energy: 0.6736856848302505
Energy: 0.5525831610972162
Energy: 0.5546454061347701
Energy: 0.5525831610961777
Energy: 0.669575189359974
Energy: 0.5704837170512835
Energy: 0.6141531073849342
Energy: 0.5704837170512835
Energy: 0.6947237225114666
Energy: 0.5525369119448243
Energy: 0.5529372502181804
Energy: 0.552536911944305
Energy: 0.6419799787430875
Energy: 0.5522162791795678
Energy: 0.5541044508946213
Energy: 0.5522162791795678
Energy: 0.7164417271170874
Energy: 0.5524057052547381
Energy: 0.5573741478226852
Energy: 0.5524057052542187
Energy: 0.7075603186693825
Energy: 0.5682750557263351
Energy: 0.5571543453248292
Energy: 0.5682750557273738
Energy: 0.5536777947014223
Energy: 0.5529486999772452
Energy: 0.7900863953002617
Energy: 0.5529486999782837
Energy: 0.5548937864637957
Energy: 0.5524371802402389
Energy: 0.6776784988124381
Energy: 0.5524371802402389
Energy: 0.5614097209895078
Energy: 0.5527844349060914
Energy: 0.6801419721966238
Energy: 0.5527844349066107
Energy: 0.6857120223733283
Energy: 0.5532562441430251
Energy: 0.8707818736530707
Energy: 0.5532562441430251
Energy: 0.6230242530933741
Energy: 0.551916632334377
Energy: 0.6421890163619804
Energy: 0.5519166323338576
Energy: 0.637854843401954
Energy: 0.5519512199193749
Energy: 0.6838489036148637
Energy: 0.5519512199193749
Energy: 0.6144134003987892
Energy: 0.5484500377174834
Energy: 0.7165083147736706
Energy: 0.5484500377159254
Energy: 0.7247213614542384
Energy: 0.548847840307293
Energy: 0.548709019134744
Energy: 0.5488478403078123
Energy: 0.6704366301897972
Energy: 0.5488751733980156
Energy: 0.5492119814660072
Energy: 0.5488751733980156
Energy: 0.6045953550672636
Energy: 0.5485575294273277
Energy: 0.5513449007702572
Energy: 0.5485575294273277
Energy: 0.8701575664773691
Energy: 0.5494222409221567
Energy: 0.5546313692284924
Energy: 0.549422240922676
Energy: 0.6361265082056616
Energy: 0.5485915784637098
Energy: 0.6701160355870358
Energy: 0.5485915784637098
Energy: 0.6034122618052645
Energy: 0.6511372299433081
Energy: 0.633646577902335
Energy: 0.6511372299427888
Energy: 0.5555897141624734
Energy: 0.5519794060381253
Energy: 0.6726164694650691
Energy: 0.5519794060386447
Energy: 0.594770237470641
Energy: 0.5705626015708013
Energy: 0.6691134160550766
Energy: 0.5705626015708013
Energy: 0.5521863759974266
Energy: 0.5526420776627434
Energy: 0.6692826358560365
Energy: 0.5526420776627434
Energy: 0.5524364476380168
Energy: 0.5523161308994771
Energy: 0.6707975027976175
Energy: 0.5523161308994771
Energy: 0.559857937627183
Energy: 0.5522127514030052
Energy: 0.711476365624147
Energy: 0.5522127514019666
Energy: 0.6754426659566829
Energy: 0.5706961673387396
Energy: 0.7073546827895647
Energy: 0.5706961673387396
Energy: 0.7897139185973758
Energy: 0.5529514136693945
Energy: 0.5540702205991579
Energy: 0.552951413668356
Energy: 0.6749052475468781
Energy: 0.5525978306755384
Energy: 0.552863602252783
Energy: 0.5525978306755384
Energy: 0.6821367335254933
Energy: 0.5822536659512441
Energy: 0.5706983174740825
Energy: 0.5822536659512441

minimum gb energy = 0.5483010923738777 eV
minimum distance =  2.52783606650974 Angstroms
sigma value = 89


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

Energy: 0.8963948317718905
Energy: 0.5264409918409434
Energy: 0.6417703107545344
Energy: 0.6419033957750595
Energy: 0.7103550636113853
Energy: 0.6223170861854691
Energy: 0.6042631289652743
Energy: 0.6223170861854691
Energy: 0.4910961970338044
Energy: 0.5369453887922842
Energy: 0.6203931278484159
Energy: 0.5369453887922842
Energy: 0.4936526456998907
Energy: 0.49598993698708155
Energy: 0.6057056409459204
Energy: 0.49598993698708155
Energy: 0.4957714917490313
Energy: 0.6177833683620727
Energy: 0.6197140044496989
Energy: 0.6177833683620727
Energy: 0.4962792157897445
Energy: 0.6180966239332729
Energy: 0.618714857109417
Energy: 0.6180966239319142
Energy: 0.4959782422428852
Energy: 0.4943747277956276
Energy: 0.6239981360933197
Energy: 0.4943747277956276
Energy: 0.49525821529977937
Energy: 0.49489019820772234
Energy: 0.7104425118601773
Energy: 0.4948901982063636
Energy: 0.6049262928114375
Energy: 0.6178784987974528
Energy: 0.710878511786842
Energy: 0.6178784987974528
Energy: 0.6211717917810983
Energy: 0.5360052022597503
Energy: 0.5479809889438038
Energy: 0.5360052022611091
Energy: 0.6232050158774682
Energy: 0.5356357977432828
Energy: 0.49112351832832596
Energy: 0.5356357977432828
Energy: 0.6180383666888418
Energy: 0.6181973334770231
Energy: 0.49640293147200165
Energy: 0.6181973334770231
Energy: 0.6171944008597747
Energy: 0.4947033213008992
Energy: 0.4945020681316857
Energy: 0.4947033212995405
Energy: 0.6060235241752127
Energy: 0.4943563862664318
Energy: 0.4946289433626934
Energy: 0.4943563862650731
Energy: 0.7103711259918771
Energy: 0.4947053502553566
Energy: 0.4945577757775286
Energy: 0.4947053502553566

minimum gb energy = 0.4910961970338044 eV
minimum distance =  2.55468160873669 Angstroms
sigma value = 13


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

Energy: 0.7973076002495143
Energy: 0.5029076019981882
Energy: 0.638425455482334
Energy: 0.6322792816780077
Energy: 0.6886180974864398
Energy: 0.4854327430811524
Energy: 0.5415953155491969
Energy: 0.48543274308229145
Energy: 0.6921493557455254
Energy: 0.4850895752695281
Energy: 0.5632411043693853
Energy: 0.48508957526895863
Energy: 0.6329414434246166
Energy: 0.6060188014120056
Energy: 0.5385034465006198
Energy: 0.6060188014120056
Energy: 0.542746746013118
Energy: 0.5107377707411923
Energy: 0.6628907515927821
Energy: 0.5107377707417616
Energy: 0.5403189845918199
Energy: 0.4852029353727848
Energy: 0.660561178498664
Energy: 0.4852029353727848
Energy: 0.5575405425859727
Energy: 0.4850561783409355
Energy: 0.6384915197727479
Energy: 0.485056178339227
Energy: 0.4910103185907604
Energy: 0.48573313236072324
Energy: 0.7501117800049483
Energy: 0.4857331323612927
Energy: 0.5010025669549126
Energy: 0.49870423714637635
Energy: 0.7498008958178092
Energy: 0.4987042371480848
Energy: 0.49169546737858505
Energy: 0.48545612954108136
Energy: 0.7546383414863609
Energy: 0.48545612954108136
Energy: 0.488365636483859
Energy: 0.48948628308318476
Energy: 0.7972499593609718
Energy: 0.4894862830809067
Energy: 0.6414319638576653
Energy: 0.4853973180833461
Energy: 0.5389859382189887
Energy: 0.48539731808163755
Energy: 0.6692132634480966
Energy: 0.5098690004947765
Energy: 0.6398717347440408
Energy: 0.5098690004947765
Energy: 0.6371595278925564
Energy: 0.4858131351330299
Energy: 0.6333312772139648
Energy: 0.485813135137586
Energy: 0.7500148042297612
Energy: 0.4859947046913343
Energy: 0.5400952773568324
Energy: 0.48599470469358647
Energy: 0.7496793745664447
Energy: 0.48596456627647383
Energy: 0.49155487447821217
Energy: 0.4859645662770433
Energy: 0.6366876234416021
Energy: 0.485719477472038
Energy: 0.4886207329653827
Energy: 0.48571947747032945
Energy: 0.6845232027517372
Energy: 0.4858431319627665
Energy: 0.49201562901691803
Energy: 0.485843131961058
Energy: 0.8115095679331671
Energy: 0.48894349365958856
Energy: 0.5364090322718797
Energy: 0.4889434936612971
Energy: 0.6414333302916012
Energy: 0.4851275235690418
Energy: 0.5591919300146244
Energy: 0.48512752356790273
Energy: 0.6319894406722966
Energy: 0.48579161113595515
Energy: 0.5357568975706487
Energy: 0.48579161113766367
Energy: 0.6426786094763322
Energy: 0.5090628145239783
Energy: 0.642108408945816
Energy: 0.5090628145222698
Energy: 0.542938378464626
Energy: 0.4855420990185691
Energy: 0.6678991740634281
Energy: 0.4855420990185691
Energy: 0.48529986663121827
Energy: 0.484933753020203
Energy: 0.7508108526673202
Energy: 0.48493375301906394
Energy: 0.5370186441557838
Energy: 0.4859775522651419
Energy: 0.7487986418783297
Energy: 0.48597755226685035
Energy: 0.4876733655324992
Energy: 0.48592404188291727
Energy: 0.7488253791462927
Energy: 0.4859240418846258
Energy: 0.4858532942698659
Energy: 0.48527248032298337
Energy: 0.7523581315696652
Energy: 0.48527248032127485
Energy: 0.4854995513830644
Energy: 0.4857769442702269
Energy: 0.6854558563302098
Energy: 0.4857769442696574
Energy: 0.6396735570620738
Energy: 0.4854890631043593
Energy: 0.8124678884042923
Energy: 0.48548906310661144
Energy: 0.5587841683564392
Energy: 0.5114955774646605
Energy: 0.6376320389299768
Energy: 0.5114955774635215
Energy: 0.6365687998590773
Energy: 0.5133818656576673
Energy: 0.6316959824885735
Energy: 0.5133818656576673
Energy: 0.7499067328264754
Energy: 0.4857829619301633
Energy: 0.5350029711663195
Energy: 0.4857829619318718
Energy: 0.749654561308128
Energy: 0.4861343916921885
Energy: 0.49361359797848725
Energy: 0.486134391692758
Energy: 0.7085520716264594
Energy: 0.48550512447434996
Energy: 0.4860557672978294
Energy: 0.4855051244760585
Energy: 0.811503761908608
Energy: 0.48567124893433633
Energy: 0.49016898387656266
Energy: 0.4856712489337668

minimum gb energy = 0.48493375301906394 eV
minimum distance =  2.54769052786071 Angstroms
sigma value = 37


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

Energy: 0.7853685627191862
Energy: 0.4626115679623625
Energy: 0.6028844484016798
Energy: 0.6027804042305385
Energy: 0.6964409140983846
Energy: 0.4555089926847267
Energy: 0.5552833613550628
Energy: 0.4555089926847267
Energy: 0.6903088009815598
Energy: 0.45511054723466593
Energy: 0.5558566848806423
Energy: 0.45511054723466593
Energy: 0.6905223571608303
Energy: 0.49649439817403346
Energy: 0.5474537590025514
Energy: 0.49649439817403346
Energy: 0.5649880556150775
Energy: 0.4981965646829862
Energy: 0.6074393764349929
Energy: 0.4981965646829862
Energy: 0.5038647071741779
Energy: 0.45160256594054093
Energy: 0.6994690131305589
Energy: 0.45160256594054093
Energy: 0.5071581006755719
Energy: 0.45148138941607574
Energy: 0.6268536929066697
Energy: 0.45148138941607574
Energy: 0.5097556793209798
Energy: 0.4410898890185343
Energy: 0.8032187084045006
Energy: 0.4410898890185343
Energy: 0.4989317881969472
Energy: 0.44103537088471195
Energy: 0.8032741118301281
Energy: 0.44103537088471195
Energy: 0.49685695163317706
Energy: 0.4410953902443479
Energy: 0.7447913753463475
Energy: 0.44109539024336814
Energy: 0.4979895425006356
Energy: 0.4982045221082012
Energy: 0.6975309990390272
Energy: 0.4982045221072214
Energy: 0.5904629022508766
Energy: 0.44093880756875803
Energy: 0.6273093756209333
Energy: 0.4409388075697378
Energy: 0.5893516663446917
Energy: 0.4406750992060225
Energy: 0.6903001311811036
Energy: 0.4406750992070024
Energy: 0.5899001855748324
Energy: 0.48122493646625075
Energy: 0.6910071174768416
Energy: 0.48122493646625075
Energy: 0.6074393764349929
Energy: 0.4919934662875797
Energy: 0.5406219869584332
Energy: 0.4919934662875797
Energy: 0.6994690131305589
Energy: 0.4805095752237972
Energy: 0.5531508907477779
Energy: 0.4805095752237972
Energy: 0.6587129806479892
Energy: 0.4552842894020382
Energy: 0.5071820145903593
Energy: 0.4552842894010583
Energy: 0.8032187084045006
Energy: 0.4556272324184644
Energy: 0.46572775491489016
Energy: 0.4556272324184644
Energy: 0.8032741118301281
Energy: 0.45563843789463004
Energy: 0.4554427341496224
Energy: 0.45563843789463004
Energy: 0.7713729817621534
Energy: 0.4557931165809286
Energy: 0.4557154054526437
Energy: 0.4557931165809286

minimum gb energy = 0.4406750992060225 eV
minimum distance =  2.54319757664396 Angstroms
sigma value = 25


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

Energy: 0.8557400942547936
Energy: 0.4091403202771236
Energy: 0.5573102943551368
Energy: 0.40109516410491153
Energy: 0.8401068992991011
Energy: 0.4005144973262242
Energy: 0.47446202433403345
Energy: 0.4005144973262242
Energy: 0.7588426717621692
Energy: 0.39975375641162963
Energy: 0.47771159890087683
Energy: 0.39975375641086447
Energy: 0.5950852674321685
Energy: 0.4003822206482452
Energy: 0.4740595176036775
Energy: 0.4003822206482452
Energy: 0.65605106126378
Energy: 0.525876767895699
Energy: 0.6565812805547993
Energy: 0.525876767895699
Energy: 0.5490331873487737
Energy: 0.431120548348639
Energy: 0.658746210359505
Energy: 0.4311205483494041
Energy: 0.5524956646039609
Energy: 0.5258934150921822
Energy: 0.657151929691642
Energy: 0.5258934150921822
Energy: 0.47422193756253905
Energy: 0.4000118666057576
Energy: 0.726043120592424
Energy: 0.4000118666057576
Energy: 0.4775894444033712
Energy: 0.39982326839947
Energy: 0.8425866217271603
Energy: 0.39982326839947
Energy: 0.478029855892324
Energy: 0.4003791178592632
Energy: 0.7640582425458265
Energy: 0.40037911785849817
Energy: 0.4003404891905201
Energy: 0.4002298335676382
Energy: 0.7245959764097687
Energy: 0.4002298335676382
Energy: 0.403258548784645
Energy: 0.4004211389093208
Energy: 0.760749433762784
Energy: 0.4004211389100859
Energy: 0.4012231408280236
Energy: 0.39980812960932083
Energy: 0.8402276161240211
Energy: 0.39980812960932083
Energy: 0.4148706940204636
Energy: 0.4002095350025521
Energy: 0.8553680575086149
Energy: 0.4002095350033172
Energy: 0.4778423638205339
Energy: 0.39976958324140405
Energy: 0.7616429440475768
Energy: 0.39976958324140405
Energy: 0.4786238562637396
Energy: 0.3998657039912939
Energy: 0.7590146797721143
Energy: 0.3998657039912939
Energy: 0.47395369136175236
Energy: 0.525279580108804
Energy: 0.758519360921651
Energy: 0.525279580108804
Energy: 0.4978760767444553
Energy: 0.43345919349155854
Energy: 0.6586598618594339
Energy: 0.43345919349155854
Energy: 0.6563725384109803
Energy: 0.5255022495582535
Energy: 0.5514159104038634
Energy: 0.5255022495582535
Energy: 0.6568308019038073
Energy: 0.5259647865841067
Energy: 0.5494410928947943
Energy: 0.5259647865833417
Energy: 0.7255773962810894
Energy: 0.4001597565547292
Energy: 0.4765626296745744
Energy: 0.4001597565539641
Energy: 0.842325184758473
Energy: 0.3996853794686611
Energy: 0.40074875226929824
Energy: 0.3996853794686611
Energy: 0.8403772530462117
Energy: 0.400237620698612
Energy: 0.47429893477551466
Energy: 0.400237620698612
Energy: 0.7256203891699499
Energy: 0.4003176053252929
Energy: 0.40126800729045636
Energy: 0.4003176053252929
Energy: 0.7623056348049689
Energy: 0.40021430122011187
Energy: 0.4004719884600911
Energy: 0.4002143012208769
Energy: 0.7573939630677932
Energy: 0.4000378717182971
Energy: 0.40045340428357906
Energy: 0.4000378717182971

minimum gb energy = 0.3996853794686611 eV
minimum distance =  2.55763081529106 Angstroms
sigma value = 41


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

Energy: 0.9559980910741973
Energy: 0.3783095644154942
Energy: 0.5304182958765304
Energy: 0.3668856560899949
Energy: 0.8652349831996157
Energy: 0.36616601190187836
Energy: 0.4266200509500576
Energy: 0.36616601190187836
Energy: 0.8260428562693208
Energy: 0.3657244103923141
Energy: 0.42917289463940955
Energy: 0.3657244103910596
Energy: 0.7322853591462517
Energy: 0.36655814305560686
Energy: 0.4259740003347287
Energy: 0.36655814305497963
Energy: 0.757877890904546
Energy: 0.47603303391326374
Energy: 0.5878051802437446
Energy: 0.47603303391326374
Energy: 0.6810747313958648
Energy: 0.48177464951826093
Energy: 0.5842887538135805
Energy: 0.48177464951826093
Energy: 0.6777632169664817
Energy: 0.5808955686736904
Energy: 0.5843783902930649
Energy: 0.5808955686743177
Energy: 0.5855713116990483
Energy: 0.48188317532516756
Energy: 0.6272196179560227
Energy: 0.481883175323913
Energy: 0.48786413884091334
Energy: 0.47746337845029546
Energy: 0.7560984506661588
Energy: 0.47746337845029546
Energy: 0.48706836251510155
Energy: 0.4764807192483357
Energy: 0.7536620234691963
Energy: 0.4764807192483357
Energy: 0.42734561638376994
Energy: 0.3661302121700569
Energy: 0.8447687418853437
Energy: 0.3661302121694297
Energy: 0.42861063136705685
Energy: 0.36563417948034316
Energy: 0.9003290479046162
Energy: 0.36563417947971594
Energy: 0.4272588790804365
Energy: 0.3666896214088648
Energy: 0.8935086399512994
Energy: 0.3666896214088648
Energy: 0.3670927331913528
Energy: 0.3663943501381066
Energy: 0.7515352314089612
Energy: 0.3663943501374794
Energy: 0.3675007422134656
Energy: 0.36660671691587926
Energy: 0.8283186228762927
Energy: 0.36660671691525204
Energy: 0.36653379687735393
Energy: 0.3669306275177934
Energy: 0.8249561951760835
Energy: 0.36693062751716615
Energy: 0.4266027805852252
Energy: 0.3669533671978426
Energy: 0.824872158867113
Energy: 0.36695336719846994
Energy: 0.4440964359492949
Energy: 0.36795070820675185
Energy: 0.8276286097759004
Energy: 0.36795070820675185
Energy: 0.42824044275171536
Energy: 0.3659216299802676
Energy: 0.6830566990747166
Energy: 0.3659216299815222
Energy: 0.5853618377774744
Energy: 0.47612680505364596
Energy: 0.6813299360529204
Energy: 0.47612680505301874
Energy: 0.6278578334533841
Energy: 0.47609242808824437
Energy: 0.7540300282516563
Energy: 0.47609242808824437
Energy: 0.5861865828640492
Energy: 0.5831058935261888
Energy: 0.6778624677597437
Energy: 0.5831058935261888
Energy: 0.756445494787464
Energy: 0.5790079231366354
Energy: 0.6792728805665476
Energy: 0.5790079231366354
Energy: 0.5902953035426083
Energy: 0.48178104531318205
Energy: 0.5861656053308418
Energy: 0.48178104531318205
Energy: 0.7542397036717382
Energy: 0.47683012504382716
Energy: 0.521498793648058
Energy: 0.4768301250431999
Energy: 0.7529833930251499
Energy: 0.47598770062152773
Energy: 0.5840910361939897
Energy: 0.475987700622155
Energy: 0.7520887677657281
Energy: 0.4755110820654989
Energy: 0.4282222679035415
Energy: 0.4755110820667534
Energy: 0.826869380888031
Energy: 0.36802536747533865
Energy: 0.44490207422443273
Energy: 0.36802536747533865
Energy: 0.7523786709002105
Energy: 0.366519874748741
Energy: 0.42825164846097197
Energy: 0.36651987475125003
Energy: 0.7520712116222434
Energy: 0.3667887857941189
Energy: 0.36702013433448644
Energy: 0.3667887857935202
Energy: 0.8271643169528354
Energy: 0.3664139196608584
Energy: 0.36741130667260313
Energy: 0.3664139196608584
Energy: 0.8249654699596094
Energy: 0.36718956566146116
Energy: 0.36689207876859914
Energy: 0.36718956566146116

minimum gb energy = 0.36563417947971594 eV
minimum distance =  2.5634201408092 Angstroms
sigma value = 15


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

Energy: 0.8802955029100609
Energy: 0.35323118661508174
Energy: 0.5130165281845295
Energy: 0.3437001938509335
Energy: 0.9069233940527252
Energy: 0.34086442714381243
Energy: 0.39482544369697015
Energy: 0.34086442714221826
Energy: 0.9062014650337509
Energy: 0.3423995019157029
Energy: 0.3951087740945437
Energy: 0.34239950191357743
Energy: 0.779310559873123
Energy: 0.34278393600934026
Energy: 0.3922092832046783
Energy: 0.3427839360082775
Energy: 0.8175849479570666
Energy: 0.44579204409605566
Energy: 0.5305393231056108
Energy: 0.44579204409658707
Energy: 0.7866607946915769
Energy: 0.4377603997413717
Energy: 0.5283826787139276
Energy: 0.4377603997413717
Energy: 0.6506224074559758
Energy: 0.450455639930151
Energy: 0.6122032315095098
Energy: 0.4504556399290882
Energy: 0.6875249438049612
Energy: 0.5379932469427194
Energy: 0.5741455928618995
Energy: 0.5379932469411253
Energy: 0.6490619586370785
Energy: 0.5368548723997335
Energy: 0.6821351843121951
Energy: 0.5368548723986707
Energy: 0.6478273048548967
Energy: 0.5356060392732787
Energy: 0.7325801048945689
Energy: 0.5356060392764669
Energy: 0.5346996416455032
Energy: 0.4003421322433595
Energy: 0.7852543196067434
Energy: 0.4003421322422968
Energy: 0.4863598359854045
Energy: 0.4002717592407614
Energy: 0.8121221860844904
Energy: 0.4002717592418241
Energy: 0.5240183616031177
Energy: 0.3931548140812365
Energy: 0.8470483882952159
Energy: 0.39315481408389336
Energy: 0.4162979560391327
Energy: 0.3451927347519899
Energy: 0.7145543560806605
Energy: 0.34519273475092715
Energy: 0.4160629763774065
Energy: 0.3418292246853425
Energy: 0.8429348261693013
Energy: 0.341829224683217
Energy: 0.4129444181587625
Energy: 0.3412673004219678
Energy: 0.8481857153708139
Energy: 0.3412673004203737
Energy: 0.37419717134692904
Energy: 0.3392788470972856
Energy: 0.840496541524961
Energy: 0.33927884709781697
Energy: 0.3715352585474532
Energy: 0.34827957877200083
Energy: 0.8709057097408818
Energy: 0.34827957876987536
Energy: 0.3685562806591265
Energy: 0.3397201576861634
Energy: 0.7552870832906614
Energy: 0.3397201576861634
Energy: 0.41957672776077176
Energy: 0.3390505950708737
Energy: 0.8701514600181158
Energy: 0.33905059506821683
Energy: 0.43685592455174893
Energy: 0.3404651831661808
Energy: 0.8713923353380262
Energy: 0.3404651831853103
Energy: 0.41922349414731974
Energy: 0.33899701567561485
Energy: 0.779398373753714
Energy: 0.3389970156734894
Energy: 0.5442212238097482
Energy: 0.4373204915712286
Energy: 0.7842297115167679
Energy: 0.437320491569103
Energy: 0.5505807767250728
Energy: 0.4901480719105935
Energy: 0.7810866722332873
Energy: 0.4901480719116562
Energy: 0.5533610195755295
Energy: 0.45016904605111996
Energy: 0.6922075786596635
Energy: 0.45016904605111996
Energy: 0.6808704385043542
Energy: 0.5040230818271867
Energy: 0.748945098301869
Energy: 0.5040230818245298
Energy: 0.5703451234288529
Energy: 0.5022674941451506
Energy: 0.6806507983618364
Energy: 0.5022674941435564
Energy: 0.6824688894963596
Energy: 0.4461363754853958
Energy: 0.691412906296816
Energy: 0.44613637548486446
Energy: 0.7210679325685623
Energy: 0.5395776266181624
Energy: 0.6572886947520612
Energy: 0.5395776266176311
Energy: 0.7196143824250196
Energy: 0.44488553070560616
Energy: 0.5281643858763145
Energy: 0.4448855307077317
Energy: 0.8153820045765601
Energy: 0.43818062547631137
Energy: 0.48606481173569915
Energy: 0.4381806254768428
Energy: 0.7144540183753748
Energy: 0.3421042900951781
Energy: 0.45840918234159606
Energy: 0.34210429009305265
Energy: 0.8476641155243895
Energy: 0.3416433219726249
Energy: 0.3958550745312003
Energy: 0.3416433219726249
Energy: 0.8780631829715535
Energy: 0.34090236361202503
Energy: 0.39549650465770814
Energy: 0.3409023636114937
Energy: 0.9746400936550473
Energy: 0.34138679006781353
Energy: 0.35176365064834697
Energy: 0.34138679006834494
Energy: 0.9087639841277495
Energy: 0.3412807748221637
Energy: 0.34762033752416177
Energy: 0.34128077482163227
Energy: 0.9061929051819423
Energy: 0.34240227967507614
Energy: 0.3472992286898096
Energy: 0.34240227967773307

minimum gb energy = 0.3389970156734894 eV
minimum distance =  2.55055756951489 Angstroms
sigma value = 85


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

Energy: 0.9362501224960408
Energy: 0.32481607012211583
Energy: 0.4838856168945736
Energy: 0.30694687709838075
Energy: 0.8412746232354419
Energy: 0.30671722885062996
Energy: 0.3530330705852
Energy: 0.3067172288497083
Energy: 0.8128243976904418
Energy: 0.306749408170732
Energy: 0.3534833044908659
Energy: 0.306749408170732
Energy: 0.6989802391109304
Energy: 0.30675557649265256
Energy: 0.3517052133063348
Energy: 0.30675557649265256
Energy: 0.8426655552093201
Energy: 0.3930156102358486
Energy: 0.4709062518538266
Energy: 0.3930156102367703
Energy: 0.6992748503566001
Energy: 0.3067996447139968
Energy: 0.4705335657715298
Energy: 0.30679964471261423
Energy: 0.6995195369028322
Energy: 0.4069944560022243
Energy: 0.5521739089336344
Energy: 0.4069944560022243
Energy: 0.7310479556593992
Energy: 0.48327709443102096
Energy: 0.5055500830503963
Energy: 0.4832770944305601
Energy: 0.6998256911902487
Energy: 0.49046291883988113
Energy: 0.6092171981552444
Energy: 0.4904629188394203
Energy: 0.7000456546229568
Energy: 0.49308818970799173
Energy: 0.6576400294843364
Energy: 0.4930881897089135
Energy: 0.6080891829715714
Energy: 0.4839254858024
Energy: 0.6889923609187116
Energy: 0.48392548580193917
Energy: 0.5756105301358052
Energy: 0.4817254179344582
Energy: 0.7304024353718307
Energy: 0.48172541793353657
Energy: 0.6081043382457857
Energy: 0.482172543618475
Energy: 0.7576106589654801
Energy: 0.4821725436175533
Energy: 0.46636503369913646
Energy: 0.3650182021086812
Energy: 0.6531366158280829
Energy: 0.36501820210822034
Energy: 0.4548650695884342
Energy: 0.35926365270392346
Energy: 0.841242368176345
Energy: 0.3592636527025409
Energy: 0.466929219561591
Energy: 0.3595327858307159
Energy: 0.7567073742341258
Energy: 0.3595327858320984
Energy: 0.36539056747153625
Energy: 0.30585400013047415
Energy: 0.7568127031209193
Energy: 0.3058540001300133
Energy: 0.37183445178431757
Energy: 0.3514563089322281
Energy: 0.8687539058323492
Energy: 0.35145630893130636
Energy: 0.369353508204862
Energy: 0.30723856701323105
Energy: 0.8656361798844169
Energy: 0.30723856701184843
Energy: 0.3276157340360062
Energy: 0.3052273562458067
Energy: 0.8655403205755092
Energy: 0.3052273562458067
Energy: 0.32782209443091676
Energy: 0.30553598965195977
Energy: 0.8951516319508118
Energy: 0.30553598965149886
Energy: 0.3276807333688287
Energy: 0.30510991320955605
Energy: 0.7848863423984399
Energy: 0.30510991321001696
Energy: 0.3733421214801741
Energy: 0.305075874059173
Energy: 0.892218607852594
Energy: 0.30507587405963393
Energy: 0.3755308678467013
Energy: 0.3064539917066161
Energy: 0.8969955015912705
Energy: 0.3064539917070769
Energy: 0.37174346924214174
Energy: 0.3061344724231207
Energy: 0.7694705551504627
Energy: 0.3061344724341814
Energy: 0.48429056669072285
Energy: 0.43404768747746114
Energy: 0.8390846333545154
Energy: 0.43404768747746114
Energy: 0.48671109893828224
Energy: 0.3066066079402094
Energy: 0.8138616741332652
Energy: 0.3066066079659968
Energy: 0.48511981450349667
Energy: 0.3922092166322593
Energy: 0.7700854400487159
Energy: 0.39220921663272024
Energy: 0.6048404722088011
Energy: 0.4521726146696394
Energy: 0.7295174839042325
Energy: 0.4521726146696394
Energy: 0.606656488590802
Energy: 0.45473966025355994
Energy: 0.7021708217169784
Energy: 0.45473966025494256
Energy: 0.6064485917573516
Energy: 0.4602091945623375
Energy: 0.5750968334030381
Energy: 0.4602091945623375
Energy: 0.6394188490266357
Energy: 0.4912702021345168
Energy: 0.608840165704018
Energy: 0.49127020213497763
Energy: 0.7313655616461758
Energy: 0.48472353917311795
Energy: 0.5762472140938315
Energy: 0.48472353917265715
Energy: 0.7646634696620594
Energy: 0.48295530310576046
Energy: 0.5772580282058688
Energy: 0.48295530310668217
Energy: 0.6882027159008334
Energy: 0.3073096030824299
Energy: 0.4701491114024763
Energy: 0.30730960308335153
Energy: 0.8424677892406107
Energy: 0.3929699565903619
Energy: 0.4707526694634302
Energy: 0.39296995658990097
Energy: 0.8666149340038329
Energy: 0.39265493760145603
Energy: 0.4703617368614719
Energy: 0.3926549376019169
Energy: 0.7572087632095326
Energy: 0.30684811785913013
Energy: 0.35108813263226746
Energy: 0.30684811785913013
Energy: 0.8980056508901091
Energy: 0.30685451782966244
Energy: 0.35251782674924614
Energy: 0.30685451782966244
Energy: 0.8654566017662153
Energy: 0.30693442744232174
Energy: 0.35129608580390465
Energy: 0.30693442744232174
Energy: 0.7565514921342177
Energy: 0.30701617870394243
Energy: 0.3083557861168183
Energy: 0.3070161786942643
Energy: 0.9215562127526608
Energy: 0.30663792917649874
Energy: 0.30736838133813305
Energy: 0.3066379291760379
Energy: 0.8117703782993441
Energy: 0.3068908881585109
Energy: 0.30853291510973885
Energy: 0.3068908881621979

minimum gb energy = 0.305075874059173 eV
minimum distance =  2.55649222280686 Angstroms
sigma value = 113


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

Energy: 0.011713306908413408
Energy: 0.013656796813980675
Energy: 0.6931378097997387
Energy: 0.2391201118519746
Energy: 0.01398393600840752
Energy: 0.06347888025802458
Energy: 0.5202843494149474
Energy: 0.06347888025768995
Energy: 0.012313899226337924
Energy: 0.06206714837316609
Energy: 0.5186782035234606
Energy: 0.06206714837350069
Energy: 0.013135545948409218
Energy: 0.06152985350753243
Energy: 0.5184314968826526
Energy: 0.06152985350753243
Energy: 0.5184187584739302
Energy: 0.06149194558153184
Energy: 0.5182232323576389
Energy: 0.06149194558188612
Energy: 0.012144001843529595
Energy: 0.061855889765472724
Energy: 0.5185087585780798
Energy: 0.061855889765472724

minimum gb energy = 0.011713306908413408 eV
minimum distance =  2.82277525829522 Angstroms
sigma value = 1