model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Al__MO_411898953661_003
a1=[1, 0, 0]
a2=[0, 1, 0]
a3=[0, 0, 1]
species=Al
theta_min=0.0
theta_max=90.0
max_denominator=15
short_name=fcc
cutoff_distance=0.5
x_repeat=1
z_repeat=1
min_cell_height=10.0
offset_top=[0.0, 0.0, 0.0]
offset_bottom=[0.0, 0.0, 0.0]
a=4.061213478446007
cohesive_energy=2.700628357150368
mass=26.981538


Isolated atom energy: 0.0 eV

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

Energy: 0.008253124925942771
Energy: 0.008253124922063712
Energy: 0.008253124921083595
Energy: 0.008253124924493302
Energy: 0.008253124921083595
Energy: 0.00825312492254687
Energy: 0.00825312492254687
Energy: 0.00825312492399634
Energy: 0.008253124923513181
Energy: 0.008253124921566752
Energy: 0.00825312491915097
Energy: 0.008253124922063712
Energy: 0.008253124923513181
Energy: 0.008253124921566752
Energy: 0.00825312492254687
Energy: 0.008253124921566752
Energy: 0.008253124923030026
Energy: 0.008253124921566752
Energy: 0.00825312492399634
Energy: 0.008253124924493302
Energy: 0.008253124924976457
Energy: 0.00825312492254687
Energy: 0.008253124924493302
Energy: 0.008253124924493302
Energy: 0.008253124924493302
Energy: 0.008253124920117282
Energy: 0.008253124925942771
Energy: 0.008253124924976457
Energy: 0.008253124921566752
Energy: 0.008253124925942771
   minimum gb energy = 0.00825312491915097 eV
   minimum distance = 2.87159603293958 Angstroms
   sigma value = 1

========================================
theta = 7.628149668580709
========================================

Energy: 0.6158104657990645
Energy: 0.6191535430424118
Energy: 0.6191494922510755
Energy: 0.555304837152819
Energy: 0.6190624132300471
Energy: 0.6190655455934023
Energy: 0.5595114536700996
Energy: 0.6046672910027465
Energy: 0.6046669332010923
Energy: 0.5597726321121451
Energy: 0.5546674770867762
Energy: 0.5546690654365276
Energy: 0.5656970318172947
Energy: 0.6190728927549357
Energy: 0.6190719427416036
Energy: 0.5223019896580512
Energy: 0.6271895055139638
Energy: 0.6271879526921162
Energy: 0.5592728865416792
Energy: 0.6191349587443892
Energy: 0.6191425581769987
Energy: 0.5592726936799068
Energy: 0.5573085491531135
Energy: 0.5573097285428179
Energy: 0.5656943614456295
Energy: 0.5576071972415423
Energy: 0.5573775704280375
Energy: 0.5595142269669529
Energy: 0.6272146029437962
Energy: 0.6272088870107875
   minimum gb energy = 0.5223019896580512 eV
   minimum distance = 2.5505418589571 Angstroms
   sigma value = 113

========================================
theta = 8.171233559949753
========================================

Energy: 0.6422211063602641
Energy: 0.6484669470162493
Energy: 0.6484664407006934
Energy: 0.5229117815105492
Energy: 0.6462025429589923
Energy: 0.6462099119914916
Energy: 0.5766626529187431
Energy: 0.6484450906295901
Energy: 0.6484469751138241
Energy: 0.5792047537426053
Energy: 0.646215201593889
Energy: 0.6462094363441345
Energy: 0.5682652993999009
Energy: 0.6483916167007677
Energy: 0.6483887032519952
Energy: 0.5934602750770711
Energy: 0.6462261607086955
Energy: 0.6462267776105097
Energy: 0.5483889160816762
Energy: 0.648379854216826
Energy: 0.6483768489022839
Energy: 0.5521756847690155
Energy: 0.6463552435504625
Energy: 0.6463551494461515
Energy: 0.5796646025159553
Energy: 0.6483683194757778
Energy: 0.6483700155613564
Energy: 0.5679778746647665
Energy: 0.6569750875345935
Energy: 0.6569816253278884
   minimum gb energy = 0.5229117815105492 eV
   minimum distance = 2.55297581604743 Angstroms
   sigma value = 197

========================================
theta = 8.797410709991064
========================================

Energy: 0.6714194938196397
Energy: 0.6714519488696079
Energy: 0.6714519495483291
Energy: 0.6052082023868193
Energy: 0.671297672242463
Energy: 0.6712979318289224
Energy: 0.612043165931685
Energy: 0.6080863972923867
Energy: 0.608083864792135
Energy: 0.6079763984981201
Energy: 0.8121442900555872
Energy: 0.8121566174792524
Energy: 0.6153652625306671
Energy: 0.6737765443077568
Energy: 0.673776848245253
Energy: 0.5691963430683512
Energy: 0.6814786266359569
Energy: 0.6814809409769288
Energy: 0.6075984620141769
Energy: 0.6116099911171949
Energy: 0.6116179428291407
Energy: 0.6153532751405507
Energy: 0.6574661190189077
Energy: 0.6574634745142014
Energy: 0.6153710589768788
Energy: 0.6116213411212135
Energy: 0.611611882980785
Energy: 0.604481869998245
Energy: 0.6815703497506576
Energy: 0.6815724893241373
   minimum gb energy = 0.5691963430683512 eV
   minimum distance = 2.55039602321334 Angstroms
   sigma value = 169

========================================
theta = 9.527283381452357
========================================

Energy: 0.7040623543410197
Energy: 0.7076090163167251
Energy: 0.7076075768764725
Energy: 0.6400534053745202
Energy: 0.8102466122351925
Energy: 0.8102418023847987
Energy: 0.631966408041267
Energy: 0.7019079486987219
Energy: 0.7019089109344498
Energy: 0.6333843834657087
Energy: 0.7075167352525413
Energy: 0.7075165080153687
Energy: 0.6492870432798706
Energy: 0.6450935169963155
Energy: 0.6450949594782679
Energy: 0.6494399489871053
Energy: 0.7040980722715736
Energy: 0.7040991547775802
Energy: 0.6493078394898257
Energy: 0.8173377906917885
Energy: 0.8173393201709849
Energy: 0.6270360485941909
Energy: 0.7075156655231445
Energy: 0.707516163387837
Energy: 0.639856859126331
Energy: 0.6993756164689345
Energy: 0.6993764350648987
Energy: 0.6447947896594466
Energy: 0.7009982770106696
Energy: 0.7009973609754341
   minimum gb energy = 0.6270360485941909 eV
   minimum distance = 2.54160111023033 Angstroms
   sigma value = 145

========================================
theta = 10.388857815469612
========================================

Energy: 0.740533456564346
Energy: 0.7492135085249855
Energy: 0.7492135321443949
Energy: 0.6886438571295965
Energy: 0.7426072524578436
Energy: 0.7426115141392728
Energy: 0.6746471535637113
Energy: 0.7358218397107235
Energy: 0.7358226011892316
Energy: 0.6670584180739256
Energy: 0.7548365148179669
Energy: 0.7548374423157307
Energy: 0.6768262652135003
Energy: 0.6769690997753623
Energy: 0.6769685609195176
Energy: 0.6283958937509682
Energy: 0.7490028386283155
Energy: 0.7490076032151495
Energy: 0.6768260100751626
Energy: 0.6679876910165414
Energy: 0.6679878628108252
Energy: 0.6768248412101994
Energy: 0.6722315939944835
Energy: 0.6722337041877193
Energy: 0.6409079372119696
Energy: 0.7358206319091019
Energy: 0.7358184171067431
Energy: 0.67683333424989
Energy: 0.6723275637341976
Energy: 0.6723256565871237
   minimum gb energy = 0.6283958937509682 eV
   minimum distance = 2.58099840138994 Angstroms
   sigma value = 61

========================================
theta = 11.421186274999284
========================================

Energy: 0.776461255320236
Energy: 0.7819233842198419
Energy: 0.781922761639616
Energy: 0.70816232354108
Energy: 0.7815553314660401
Energy: 0.7815535376878207
Energy: 0.7194640989949141
Energy: 0.789644283762887
Energy: 0.7896444265024877
Energy: 0.7078259978912854
Energy: 0.7611339991347541
Energy: 0.7611326642164952
Energy: 0.7195446614123184
Energy: 0.7859239679585396
Energy: 0.7859244334879373
Energy: 0.7195410170899049
Energy: 0.7954456471564453
Energy: 0.7954461600996036
Energy: 0.7074207547185563
Energy: 0.795442061219488
Energy: 0.7954403891997429
Energy: 0.7178671272633024
Energy: 0.7859245212260962
Energy: 0.7859255306549026
Energy: 0.7194630542858417
Energy: 0.7140375790030511
Energy: 0.7140345037373235
Energy: 0.7195408354719405
Energy: 0.7581110475145517
Energy: 0.7581081406207468
   minimum gb energy = 0.7074207547185563 eV
   minimum distance = 2.53168730395708 Angstroms
   sigma value = 101

========================================
theta = 12.68038349181982
========================================

Energy: 0.7838812938289699
Energy: 0.8333003691205615
Energy: 0.8332984999515092
Energy: 0.7596662816923019
Energy: 0.8330411429306196
Energy: 0.8330394512290588
Energy: 0.746337612631463
Energy: 0.8330377750516099
Energy: 0.8330358527451386
Energy: 0.6781242511528659
Energy: 0.833034612559658
Energy: 0.8330459356370492
Energy: 0.6781222185010579
Energy: 0.8330395822385112
Energy: 0.8330348654002567
Energy: 0.7123307848950501
Energy: 0.8330179956226682
Energy: 0.833021028615031
Energy: 0.7544333411654203
Energy: 0.8329992170824488
Energy: 0.8330038785053423
Energy: 0.7463442536390168
Energy: 0.8330247664752389
Energy: 0.8330143150519421
Energy: 0.7597171869643805
Energy: 0.8330350268153232
Energy: 0.8330372229338375
Energy: 0.7695154053754265
Energy: 0.8330102151466476
Energy: 0.8330065683150546
   minimum gb energy = 0.6781222185010579 eV
   minimum distance = 2.53842641212464 Angstroms
   sigma value = 81

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

Energy: 0.8476864867653309
Energy: 0.8855155080132516
Energy: 0.8855165163682417
Energy: 0.7251780889584252
Energy: 0.8051374065086606
Energy: 0.8051159516021128
Energy: 0.8045957163760796
Energy: 0.8095470663257915
Energy: 0.8095112258823677
Energy: 0.8130198032077135
Energy: 0.8088803807719663
Energy: 0.8088775439131594
Energy: 0.813024026194638
Energy: 0.8580646163335858
Energy: 0.8580604067388813
Energy: 0.8130396374639066
Energy: 0.8879015600718886
Energy: 0.8878998348146485
Energy: 0.8130379314003745
Energy: 0.8158560172204186
Energy: 0.8158375150499826
Energy: 0.8130261909196014
Energy: 0.8094988934066164
Energy: 0.8095155474680708
Energy: 0.7251813056483009
Energy: 0.8051091932156101
Energy: 0.805106687972313
Energy: 0.8254576281813143
Energy: 0.8791824583585103
Energy: 0.8791826264232915
   minimum gb energy = 0.7251780889584252 eV
   minimum distance = 2.528128340433 Angstroms
   sigma value = 1

========================================
theta = 15.18928673718289
========================================

Energy: 0.8911766807453038
Energy: 0.9188189520482882
Energy: 0.9188250069315025
Energy: 0.8391533677456618
Energy: 0.8384920560497363
Energy: 0.8384979187313941
Energy: 0.8448128450664045
Energy: 0.8722641075428119
Energy: 0.8722619497875548
Energy: 0.7878129752251438
Energy: 0.9178541551440232
Energy: 0.9178552543004356
Energy: 0.8404093374676765
Energy: 0.8363096287186008
Energy: 0.836339638781813
Energy: 0.815170665456414
Energy: 0.8944043991513762
Energy: 0.8944110859238219
Energy: 0.8206490167858211
Energy: 0.9178577961966395
Energy: 0.9178541181272915
Energy: 0.84038884528477
Energy: 0.8414553515916461
Energy: 0.8414503294641815
Energy: 0.7473817459336163
Energy: 0.9239151781309938
Energy: 0.9239082935735303
Energy: 0.8516099093455946
Energy: 0.8901241800752255
Energy: 0.8901173815378081
   minimum gb energy = 0.7473817459336163 eV
   minimum distance = 2.51816058497967 Angstroms
   sigma value = 229

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

Energy: 0.9096051511740588
Energy: 0.9466841179333411
Energy: 0.9466902848213304
Energy: 0.8755902095237853
Energy: 0.8698396791128854
Energy: 0.8698949824945661
Energy: 0.8579671736076437
Energy: 0.946090636671485
Energy: 0.9460979986422484
Energy: 0.8579821531950692
Energy: 0.9460906016478532
Energy: 0.9460910586557699
Energy: 0.8664087163739017
Energy: 0.8849451077776957
Energy: 0.8849453334589074
Energy: 0.8128945637222551
Energy: 0.9460901333880567
Energy: 0.946092779152056
Energy: 0.8583731592222933
Energy: 0.8664174880201977
Energy: 0.866407690532303
Energy: 0.7678889950667108
Energy: 0.9460906953446111
Energy: 0.9460899806280355
Energy: 0.8579929477838566
Energy: 0.8207404145650775
Energy: 0.8207329427461286
Energy: 0.875593541483493
Energy: 0.9161179409595686
Energy: 0.9161125865883495
   minimum gb energy = 0.7678889950667108 eV
   minimum distance = 2.52840630434114 Angstroms
   sigma value = 25

========================================
theta = 17.49232452511042
========================================

Energy: 0.9560177948040172
Energy: 0.9705128257774919
Energy: 0.9705102850362661
Energy: 0.8004941941399517
Energy: 0.9766247692599868
Energy: 0.9766180818736401
Energy: 0.7971144543592175
Energy: 0.9935492098199997
Energy: 0.9935516690868514
Energy: 0.8525500358729196
Energy: 0.9766965323399257
Energy: 0.9766878192041692
Energy: 0.9041461949908987
Energy: 0.9705221691863124
Energy: 0.9705140900097036
Energy: 0.8789987241090493
Energy: 0.9766237985113057
Energy: 0.9766196056724498
Energy: 0.8479409315646672
Energy: 0.9704774624272374
Energy: 0.9704767883961651
Energy: 0.8978644021327125
Energy: 0.9029503523266393
Energy: 0.902932080500423
Energy: 0.8807908158600916
Energy: 0.9848245063338638
Energy: 0.9847911100419953
Energy: 0.8783906730836026
Energy: 0.924992091497032
Energy: 0.9249895810062015
   minimum gb energy = 0.7971144543592175 eV
   minimum distance = 2.53044708903361 Angstroms
   sigma value = 173

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

Energy: 0.9607151309688123
Energy: 1.023725953885756
Energy: 1.0237302672182684
Energy: 0.9284160962058708
Energy: 0.9284135222182407
Energy: 0.9284120447944396
Energy: 0.945485779601174
Energy: 1.0001271556424187
Energy: 1.0001297144300192
Energy: 0.9300005210342441
Energy: 1.0237229426304937
Energy: 1.0237318866149572
Energy: 0.928411409024109
Energy: 0.9284120102198785
Energy: 0.928409751581013
Energy: 0.9284206631016919
Energy: 0.9312008034464514
Energy: 0.9312095951830669
Energy: 0.92085610862687
Energy: 0.9930165593322217
Energy: 0.9930158557446589
Energy: 0.8826502925830632
Energy: 0.9869014907341607
Energy: 0.9869018147026094
Energy: 0.8820669360896469
Energy: 0.9284100062446378
Energy: 0.9284102600898112
Energy: 0.9284235210247309
Energy: 0.8793050166890961
Energy: 0.8792859651791097
   minimum gb energy = 0.8792859651791097 eV
   minimum distance = 2.54082419503763 Angstroms
   sigma value = 9

========================================
theta = 20.609692937532067
========================================

Energy: 1.0275312724504022
Energy: 1.070774558222342
Energy: 1.0707700984606512
Energy: 0.9125042892539107
Energy: 1.1189347401911967
Energy: 1.1189223662281984
Energy: 0.9814068673850443
Energy: 0.976311050935156
Energy: 0.9763053281470473
Energy: 0.9656111228945644
Energy: 1.0305795357165817
Energy: 1.0305787919638454
Energy: 0.9720470198051943
Energy: 0.9790158206830056
Energy: 0.9790160781527135
Energy: 0.9530270794578947
Energy: 0.9720388627260973
Energy: 0.9720425370541567
Energy: 0.965928787866812
Energy: 0.9309340312090216
Energy: 0.9309366047284047
Energy: 0.9560897491962919
Energy: 0.9659155257839
Energy: 0.9659202559668112
Energy: 0.9720435360401957
Energy: 0.9016034726059001
Energy: 0.9016112197182693
Energy: 0.9126285837075118
Energy: 0.972042937187696
Energy: 0.97203881672354
   minimum gb energy = 0.9016034726059001 eV
   minimum distance = 2.55671549916276 Angstroms
   sigma value = 31

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

Energy: 1.0391519689297795
Energy: 1.0062565501077012
Energy: 1.0062561068729698
Energy: 0.8814564642271722
Energy: 0.998025041211379
Energy: 0.9980251705329091
Energy: 1.0350357930000342
Energy: 1.078792819946564
Energy: 1.0787933988467406
Energy: 1.0083544751717448
Energy: 0.9060491247871689
Energy: 0.9060491045866792
Energy: 1.0083522969081964
Energy: 0.9441428932348065
Energy: 0.9441427607194224
Energy: 0.9441427955976154
Energy: 0.9980371526455191
Energy: 0.998027550229967
Energy: 0.8814552544438783
Energy: 1.031863607332838
Energy: 1.0318630462861125
Energy: 0.8814557754668028
Energy: 0.9441499138853561
Energy: 0.9441520157714212
Energy: 0.9665202725243396
Energy: 0.9526971923078872
Energy: 0.9527090132517585
Energy: 0.9665195699264334
Energy: 0.9526995425371974
Energy: 0.9526952008697328
   minimum gb energy = 0.8814552544438783 eV
   minimum distance = 2.54765148653171 Angstroms
   sigma value = 25

========================================
theta = 24.189514154024202
========================================

Energy: 1.0621432847089596
Energy: 1.0254349837819938
Energy: 1.0253991234817144
Energy: 1.0128557718766702
Energy: 0.953829771355733
Energy: 0.9538218757713502
Energy: 1.0128576314696898
Energy: 0.9538480085393405
Energy: 0.9538199213774504
Energy: 1.017537491301871
Energy: 1.0253885300247694
Energy: 1.0253983480534958
Energy: 1.012897817241034
Energy: 0.9740641837991627
Energy: 0.9740641860475517
Energy: 1.0128670012634708
Energy: 0.9802127285306147
Energy: 0.9802080540646609
Energy: 0.9712468360011306
Energy: 1.0254128466047425
Energy: 1.0254088486977693
Energy: 1.017538702022397
Energy: 0.9921668300178007
Energy: 0.992167357197384
Energy: 1.0128484209919983
Energy: 0.9921136804576545
Energy: 0.9921347628154477
Energy: 0.9172042474107637
Energy: 1.0253888319977962
Energy: 1.0254824783033978
   minimum gb energy = 0.9172042474107637 eV
   minimum distance = 2.56028340005279 Angstroms
   sigma value = 205

========================================
theta = 25.057615418303023
========================================

Energy: 1.0469108553849213
Energy: 1.0232120612352298
Energy: 1.023167426753037
Energy: 0.9668204096607153
Energy: 1.0096217040503146
Energy: 1.0095419154543603
Energy: 0.9460454478872419
Energy: 0.9748851174916324
Energy: 0.9749054639576399
Energy: 1.0095713064905494
Energy: 0.9643862562246152
Energy: 0.9643702996642045
Energy: 0.9704981607168489
Energy: 0.93253715798264
Energy: 0.9325240842678039
Energy: 1.0531960410894576
Energy: 1.0095289429469516
Energy: 1.009506072878571
Energy: 1.0228205739596279
Energy: 1.0101642636900825
Energy: 1.0101734354972323
Energy: 0.9550695686094252
Energy: 1.0095507799093095
Energy: 1.0096147702256348
Energy: 1.0272478011737125
Energy: 1.0165418206824142
Energy: 1.0165297894035383
Energy: 0.9325049615103941
Energy: 0.9904627754344201
Energy: 0.9904689925338866
   minimum gb energy = 0.9325049615103941 eV
   minimum distance = 2.51379163358672 Angstroms
   sigma value = 85

========================================
theta = 25.98923358383301
========================================

Energy: 1.0655679188406408
Energy: 1.016210218627448
Energy: 1.0162104335145734
Energy: 0.9944016236338671
Energy: 1.0162665010201273
Energy: 1.0162133793520514
Energy: 0.9943963280222835
Energy: 1.0124544960934019
Energy: 1.0123130220678407
Energy: 0.9943970367558802
Energy: 0.9985281371683596
Energy: 0.9985398769809549
Energy: 0.9445314323550821
Energy: 1.0132965384550097
Energy: 1.0132940629344278
Energy: 0.977247427735622
Energy: 1.0771005180593884
Energy: 1.077118173361559
Energy: 1.0006684736336766
Energy: 1.004551558091351
Energy: 1.0045413853379852
Energy: 0.9717180987868087
Energy: 0.9985357142759427
Energy: 0.9985638003179741
Energy: 0.9756562872943311
Energy: 1.0124564824324211
Energy: 1.012342356903392
Energy: 0.9366763257425428
Energy: 1.0124744762239368
Energy: 1.0124993305070618
   minimum gb energy = 0.9366763257425428 eV
   minimum distance = 2.57459673255913 Angstroms
   sigma value = 89

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

Energy: 0.9648801311452472
Energy: 0.988952666640819
Energy: 0.9889486161910357
Energy: 1.0282739312951061
Energy: 0.9472923073083889
Energy: 0.9472923005667014
Energy: 1.122705470951479
Energy: 0.9581090179907058
Energy: 0.9581093597967737
Energy: 0.9472923521418956
Energy: 0.9552332924323685
Energy: 0.9552332924370827
Energy: 1.0371231021039444
Energy: 0.9472922913241079
Energy: 0.9472923474298928
Energy: 0.9472923280070298
Energy: 1.0035370752072001
Energy: 1.0035379942048817
Energy: 1.0371246380519192
Energy: 0.9472923430571437
Energy: 0.9472923831927899
Energy: 0.9472922208738498
Energy: 1.0035388110688117
Energy: 1.0035379672675682
Energy: 0.9472923443411714
Energy: 0.9581111012150144
Energy: 0.9581109526680532
Energy: 0.9552360634012232
Energy: 0.9472922528812763
Energy: 0.9472921905462205
   minimum gb energy = 0.9472921905462205 eV
   minimum distance = 2.58282445414874 Angstroms
   sigma value = 17

========================================
theta = 29.86283435627511
========================================

Energy: 1.0480602685499014
Energy: 1.016334722100424
Energy: 1.0163377672988358
Energy: 0.9707531785519299
Energy: 0.998504323669256
Energy: 0.9984836534807887
Energy: 1.0082136832125208
Energy: 1.002325140154741
Energy: 1.0024222069398605
Energy: 1.0467466584273721
Energy: 1.0194636751273223
Energy: 1.0194605906245682
Energy: 1.008171554312494
Energy: 1.0160781969963157
Energy: 1.016081025690993
Energy: 1.0495284581622033
Energy: 1.0176152795782722
Energy: 1.0176045358946695
Energy: 1.0422102225801444
Energy: 1.016335684065659
Energy: 1.0163343894294445
Energy: 0.9707530621941494
Energy: 0.9759146756458971
Energy: 0.9760426677602979
Energy: 1.0506530434669643
Energy: 1.034223330635183
Energy: 1.0342440064496374
Energy: 1.0132639494505598
Energy: 1.0194552963604346
Energy: 1.0194972203632242
   minimum gb energy = 0.9707530621941494 eV
   minimum distance = 2.58993371912352 Angstroms
   sigma value = 241

========================================
theta = 30.510237406115554
========================================

Energy: 1.0639865477380663
Energy: 1.0056437700631906
Energy: 1.0056437731707826
Energy: 1.0171486971026424
Energy: 1.0267669311004681
Energy: 1.0267704599914786
Energy: 1.108843480461163
Energy: 1.0342815230161206
Energy: 1.034281158213108
Energy: 1.0171500895303607
Energy: 1.0056441549460367
Energy: 1.0056440819183925
Energy: 0.9816517275845055
Energy: 1.0056438029686912
Energy: 1.0056437859427705
Energy: 1.1130210231360957
Energy: 1.091519693579253
Energy: 1.0915193790032738
Energy: 1.0279832069042694
Energy: 1.1217549952314991
Energy: 1.1217580168633574
Energy: 1.0171520896943305
Energy: 1.0056437734340442
Energy: 1.0056437700235754
Energy: 0.9816516902632217
Energy: 1.026769325476007
Energy: 1.0267659244868141
Energy: 1.0867141542367778
Energy: 0.9977800072360133
Energy: 0.9977803198447946
   minimum gb energy = 0.9816516902632217 eV
   minimum distance = 2.57353723370581 Angstroms
   sigma value = 65

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

Energy: 1.0439561741803591
Energy: 0.9981785985211147
Energy: 0.9982112792676711
Energy: 0.9758756330924175
Energy: 1.0449746160840125
Energy: 1.044982158772971
Energy: 0.9758795337803642
Energy: 1.0217599286047354
Energy: 1.0217633777543293
Energy: 1.0342145794789135
Energy: 0.9758746069481947
Energy: 0.9759021378820941
Energy: 1.1726085360864804
Energy: 0.9820671323503523
Energy: 0.9820671331563091
Energy: 1.1397663431119631
Energy: 1.0399767778371662
Energy: 1.039976872744376
Energy: 0.9758760991215482
Energy: 1.0217600189565677
Energy: 1.021760924556511
Energy: 1.0159200214391315
Energy: 0.9758790305662733
Energy: 0.9758746459611735
Energy: 0.9820732478162416
Energy: 0.9981874589804542
Energy: 0.9982071835493863
Energy: 0.9759067201868219
Energy: 1.0822080360603037
Energy: 1.0822080554853937
   minimum gb energy = 0.9758746069481947 eV
   minimum distance = 2.58729268925312 Angstroms
   sigma value = 53

========================================
theta = 33.39848846798724
========================================

Energy: 1.0537559865014794
Energy: 0.9981485624316137
Energy: 0.9981485463546229
Energy: 1.1793535361037781
Energy: 1.0581927000203977
Energy: 1.0582130734933797
Energy: 1.0236775577149602
Energy: 1.0583892864641165
Energy: 1.0583908117359169
Energy: 0.9757415969610769
Energy: 1.1461880787374459
Energy: 1.146191009719595
Energy: 1.1583915617797336
Energy: 1.0378695474642157
Energy: 1.0378849024213515
Energy: 0.9757278403982317
Energy: 1.0873419663856114
Energy: 1.0873390351122334
Energy: 1.0236795319401841
Energy: 0.9811103125324381
Energy: 0.981118426458451
Energy: 1.111039903058067
Energy: 1.0581957821429906
Energy: 1.0582056567689764
Energy: 0.990984072409348
Energy: 0.9983819109898598
Energy: 0.9981498410644335
Energy: 1.1305090903850443
Energy: 1.052470899647881
Energy: 1.052476752223128
   minimum gb energy = 0.9757278403982317 eV
   minimum distance = 2.58316204958461 Angstroms
   sigma value = 109

========================================
theta = 34.20545793810475
========================================

Energy: 1.0863969171786714
Energy: 1.0380431329722486
Energy: 1.0380385561337844
Energy: 0.9868694714517988
Energy: 1.0016897517868242
Energy: 1.0016899911090593
Energy: 1.01664139509088
Energy: 1.0590046030826783
Energy: 1.0590427253991916
Energy: 1.0141039500704507
Energy: 1.02129409670692
Energy: 1.021293826699504
Energy: 1.1614505761392724
Energy: 1.0839020603780383
Energy: 1.0840334610191567
Energy: 1.0141636564812604
Energy: 1.0214593873760198
Energy: 1.021339709180288
Energy: 1.0166454722612603
Energy: 1.0590160806030213
Energy: 1.059006431710982
Energy: 0.9868721865692458
Energy: 1.001769519880811
Energy: 1.0016892705334122
Energy: 1.0836107761754439
Energy: 1.0383873512622952
Energy: 1.0383820673049549
Energy: 0.986860259982615
Energy: 1.0016891026312638
Energy: 1.0016892509792477
   minimum gb energy = 0.986860259982615 eV
   minimum distance = 2.57316951006787 Angstroms
   sigma value = 185

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

Energy: 0.9555531073841699
Energy: 0.9555531743877708
Energy: 0.9555530947797749
Energy: 1.0685594301009358
Energy: 0.9724283856399973
Energy: 0.9724283855684229
Energy: 0.9674027020690796
Energy: 0.9861298516877592
Energy: 0.9861297886681937
Energy: 1.0966496452562218
Energy: 0.9724283856727026
Energy: 0.9724283855682657
Energy: 0.9555530969830583
Energy: 0.9555530947860784
Energy: 0.9555561818004799
Energy: 1.068559476553566
Energy: 0.9724283855722644
Energy: 0.9724283855682657
Energy: 0.9555530948235507
Energy: 0.9861288653747865
Energy: 0.9861290934410479
Energy: 1.0966517564331126
Energy: 1.0203394755537125
Energy: 1.0203396238176672
Energy: 0.9555530947854497
Energy: 0.9555530949865007
Energy: 0.9555530947849958
Energy: 1.0685591162820527
Energy: 1.0202299666123968
Energy: 1.020230780536508
   minimum gb energy = 0.9555530947797749 eV
   minimum distance = 2.56508738988005 Angstroms
   sigma value = 9

========================================
theta = 39.30764811610662
========================================

Energy: 1.0985304693170201
Energy: 1.0320258004798033
Energy: 1.032024305397648
Energy: 1.186853031621483
Energy: 1.1412890862817324
Energy: 1.1413077997764376
Energy: 1.0207213431307187
Energy: 1.062488978475582
Energy: 1.062488640438397
Energy: 1.0301930768153436
Energy: 1.0539031788973872
Energy: 1.053909265546674
Energy: 1.0314669108149044
Energy: 1.148461721139064
Energy: 1.1484614594667553
Energy: 1.0219046720151317
Energy: 1.0575737921593937
Energy: 1.0575971342763166
Energy: 1.2212957991653126
Energy: 1.0729728968027592
Energy: 1.0729620617200124
Energy: 1.0539432565962277
Energy: 1.0800396463217723
Energy: 1.0799973067732918
Energy: 1.1930316238212042
Energy: 1.0448018590144128
Energy: 1.0448582290001616
Energy: 1.0314028141216975
Energy: 1.045192554495168
Energy: 1.0451933945213745
   minimum gb energy = 1.0207213431307187 eV
   minimum distance = 2.56120468287636 Angstroms
   sigma value = 221

========================================
theta = 39.96621304379996
========================================

Energy: 1.1044294153216316
Energy: 1.0582385320504444
Energy: 1.05827324511742
Energy: 1.014097105440395
Energy: 1.0653372671626626
Energy: 1.0653288838238273
Energy: 0.9943622346536659
Energy: 1.0671508273528352
Energy: 1.0671765839382161
Energy: 0.9922915018452904
Energy: 1.0919729631630137
Energy: 1.0919943965230345
Energy: 1.0450370814491343
Energy: 1.0608718374900474
Energy: 1.0608465283119806
Energy: 1.105025136699185
Energy: 1.0507621671579437
Energy: 1.0507154840284392
Energy: 1.2340191887646066
Energy: 1.0081186366672672
Energy: 1.0081161024736158
Energy: 1.1461362555228944
Energy: 1.0064592239003538
Energy: 1.006459213415072
Energy: 1.1450256655324709
Energy: 1.0694486806554895
Energy: 1.0694452768151392
Energy: 1.109423576335149
Energy: 1.1066366339335738
Energy: 1.1066391523607029
   minimum gb energy = 0.9922915018452904 eV
   minimum distance = 2.53717645006869 Angstroms
   sigma value = 137

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

Energy: 1.0302825744521025
Energy: 1.0925688262953064
Energy: 1.0926180609004845
Energy: 1.1736608801253023
Energy: 1.0045070134274643
Energy: 1.0047429462975748
Energy: 1.0806959475035527
Energy: 1.135782694775871
Energy: 1.1357522883017281
Energy: 1.0044247782789866
Energy: 1.0604981051358136
Energy: 1.0604808756382118
Energy: 1.0806613559301088
Energy: 1.087685394566014
Energy: 1.0877101572371102
Energy: 1.0043540202840733
Energy: 1.1356001260000774
Energy: 1.1356004153034434
Energy: 1.2330553509875757
Energy: 1.1197924173253686
Energy: 1.1198640888325615
Energy: 1.0044157952448787
Energy: 1.1037152157553936
Energy: 1.1037019061142428
Energy: 1.1131948171656496
Energy: 1.0531507302484036
Energy: 1.0530359826360354
Energy: 1.0044276822546259
Energy: 1.069794796309132
Energy: 1.0697823808016569
   minimum gb energy = 1.0043540202840733 eV
   minimum distance = 2.5263772396406 Angstroms
   sigma value = 73

========================================
theta = 42.075022050843636
========================================

Energy: 1.101259625226818
Energy: 1.0629607130439354
Energy: 1.063146876139731
Energy: 1.043691200586545
Energy: 1.0875490279277287
Energy: 1.0874589744950396
Energy: 1.0443982005201413
Energy: 1.046758533535347
Energy: 1.0467423702332435
Energy: 1.0292822516832985
Energy: 1.063019291286525
Energy: 1.0629965391708296
Energy: 1.0665233230069509
Energy: 1.1281813978429096
Energy: 1.1281802337631968
Energy: 1.0122349081529685
Energy: 1.0156434941161958
Energy: 1.0156326392541395
Energy: 1.012565759590465
Energy: 1.062958959750632
Energy: 1.0629658496675831
Energy: 1.0303388879967268
Energy: 1.0666118595880436
Energy: 1.0667485121676716
Energy: 1.0357160667426253
Energy: 1.0156471825189126
Energy: 1.0156469882401435
Energy: 1.0125932898613788
Energy: 1.0402991381645803
Energy: 1.0403146410018238
   minimum gb energy = 1.0122349081529685 eV
   minimum distance = 2.57028199726262 Angstroms
   sigma value = 97

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

Energy: 1.0593894851645265
Energy: 1.0555237051317745
Energy: 1.0555257486866612
Energy: 1.0058024150652543
Energy: 1.0869941858674923
Energy: 1.087002928769981
Energy: 1.0203812599392352
Energy: 1.0879444832323308
Energy: 1.08791689968393
Energy: 1.0072661398241607
Energy: 1.0058024155279424
Energy: 1.0058024152727072
Energy: 1.1886773942911948
Energy: 1.0058024149642553
Energy: 1.0058024150932263
Energy: 1.1229630877965602
Energy: 1.0414360348186864
Energy: 1.0414391612379725
Energy: 1.0799784291210826
Energy: 1.0112419049385082
Energy: 1.0112101375326392
Energy: 1.0519168770846408
Energy: 1.0058024149949139
Energy: 1.0058024149885976
Energy: 1.0593899375667504
Energy: 1.088446196013545
Energy: 1.088453351638061
Energy: 0.9968433585857638
Energy: 1.0990577145699216
Energy: 1.0990464299493248
   minimum gb energy = 0.9968433585857638 eV
   minimum distance = 2.55193018583266 Angstroms
   sigma value = 7

========================================
theta = 45.23972989608085
========================================

Energy: 1.0561781262449166
Energy: 1.0181432969718858
Energy: 1.0182070978853985
Energy: 1.0149124546886217
Energy: 1.0701367203908734
Energy: 1.0701404398564276
Energy: 1.1952388967425125
Energy: 1.0149114158700852
Energy: 1.0149183102973967
Energy: 1.016162848455417
Energy: 1.1160012061357247
Energy: 1.1160199340739383
Energy: 1.0149117141974464
Energy: 1.0282046819411335
Energy: 1.0282505247021463
Energy: 1.0149167857416181
Energy: 1.1284817737956772
Energy: 1.1284850905984143
Energy: 1.0126277089684341
Energy: 1.0220744907820412
Energy: 1.0220793955306338
Energy: 1.1825522403452944
Energy: 1.0206173524230973
Energy: 1.0206844516987448
Energy: 1.0127597987095538
Energy: 1.0220749023892566
Energy: 1.0220859467083956
Energy: 1.0149118045850485
Energy: 1.0626801531290337
Energy: 1.0625843690389067
   minimum gb energy = 1.0126277089684341 eV
   minimum distance = 2.54400253705946 Angstroms
   sigma value = 169

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

Energy: 1.0529341205177438
Energy: 1.0193091577859887
Energy: 1.0193215012287598
Energy: 1.0167425356449082
Energy: 1.0180829998441325
Energy: 1.018030456873467
Energy: 1.1042024489690063
Energy: 1.032535761549669
Energy: 1.0326584300344228
Energy: 1.015871720456178
Energy: 1.0320801746461277
Energy: 1.0320770401049282
Energy: 1.026448743021718
Energy: 1.0325914391769908
Energy: 1.0325468419650854
Energy: 1.1479426880929458
Energy: 1.0240286166205435
Energy: 1.0241570998982954
Energy: 1.0160084090103259
Energy: 1.0193098955886704
Energy: 1.0193476186602282
Energy: 1.015960459764644
Energy: 1.0180331390997417
Energy: 1.0180457691731455
Energy: 1.185334608970351
Energy: 1.0180853155759597
Energy: 1.0181041959466486
Energy: 1.0160006479838148
Energy: 1.1041987746392694
Energy: 1.1041940607409886
   minimum gb energy = 1.015871720456178 eV
   minimum distance = 2.54029869825978 Angstroms
   sigma value = 29

========================================
theta = 47.92497794915637
========================================

Energy: 1.0675743709826926
Energy: 1.0294120973840086
Energy: 1.029425434859978
Energy: 1.0222493870819933
Energy: 1.0925277868942525
Energy: 1.0925479098824735
Energy: 1.062784449377654
Energy: 1.0258142434646182
Energy: 1.0256922258058605
Energy: 1.0327394853397458
Energy: 1.0846561391117042
Energy: 1.0846215837261532
Energy: 1.0224566931398844
Energy: 1.0715337825579612
Energy: 1.0716725110517524
Energy: 1.0436797097503452
Energy: 1.02868836637147
Energy: 1.0285239063981848
Energy: 1.03202380833583
Energy: 1.0337632139419723
Energy: 1.0339004128057097
Energy: 1.0224824769002965
Energy: 1.0365963921412533
Energy: 1.0364730366416712
Energy: 1.0251585289031104
Energy: 1.0284365352917426
Energy: 1.0283463443981218
Energy: 1.2474392137621373
Energy: 1.0753724203537902
Energy: 1.075383315077594
   minimum gb energy = 1.0222493870819933 eV
   minimum distance = 2.53884792452476 Angstroms
   sigma value = 97

========================================
theta = 48.88790956083307
========================================

Energy: 1.050010126104039
Energy: 1.0273152778965577
Energy: 1.0273240116503493
Energy: 1.0197790718674757
Energy: 1.1043534705003557
Energy: 1.1043462728023588
Energy: 1.0161490748242872
Energy: 1.0269682484993978
Energy: 1.0269620103909454
Energy: 1.0123971729180736
Energy: 1.0844306810686306
Energy: 1.0843967829156536
Energy: 1.1701318710962927
Energy: 1.0222282809339909
Energy: 1.0222278210714826
Energy: 1.0934480188960263
Energy: 1.033488834318849
Energy: 1.0334535951320738
Energy: 1.019825444725134
Energy: 1.033453617272159
Energy: 1.033454966250888
Energy: 1.0197803450118257
Energy: 1.0281015936605262
Energy: 1.0281784436362378
Energy: 1.0161420109190324
Energy: 1.1532400843786323
Energy: 1.1532590947260482
Energy: 1.0198158313013992
Energy: 1.0283110094385304
Energy: 1.0283065864368206
   minimum gb energy = 1.0123971729180736 eV
   minimum distance = 2.55010478281725 Angstroms
   sigma value = 73

========================================
theta = 49.55028113766384
========================================

Energy: 1.0457766803286794
Energy: 1.0305494047966743
Energy: 1.030725557146637
Energy: 1.188109761184693
Energy: 1.0217205029220198
Energy: 1.0216904726302973
Energy: 1.0227802953192657
Energy: 1.0899998462571516
Energy: 1.0899743861066504
Energy: 1.1917815652975465
Energy: 1.0226043841660952
Energy: 1.0226186569897446
Energy: 1.01848105261383
Energy: 1.0943742592750159
Energy: 1.0943349601117802
Energy: 1.0343052271396374
Energy: 1.0268310429910394
Energy: 1.0267451191732266
Energy: 1.0150039589463988
Energy: 1.1229814909462452
Energy: 1.1229921618962713
Energy: 1.0147461122121093
Energy: 1.0352477796459507
Energy: 1.0352227416626552
Energy: 1.0176224085505186
Energy: 1.053880480736871
Energy: 1.0538759667865283
Energy: 1.0198040308812804
Energy: 1.0228748447819533
Energy: 1.0229365838892444
   minimum gb energy = 1.0147461122121093 eV
   minimum distance = 2.54401852683247 Angstroms
   sigma value = 205

========================================
theta = 50.033786956200046
========================================

Energy: 1.0482238054191497
Energy: 1.032052776549507
Energy: 1.032215852325018
Energy: 1.0276630357900398
Energy: 1.032040271536304
Energy: 1.0319328197367839
Energy: 1.0207793042679365
Energy: 1.087639212592941
Energy: 1.0876218203038934
Energy: 1.0174046098727778
Energy: 1.0217927260637247
Energy: 1.0217032780984563
Energy: 1.01322610798336
Energy: 1.0217075533437465
Energy: 1.0217062875608136
Energy: 1.0217302073613095
Energy: 1.0217034711914315
Energy: 1.0217444384663195
Energy: 1.05079800526908
Energy: 1.0217234564309958
Energy: 1.0217128018246466
Energy: 1.0928176207126012
Energy: 1.031334881347914
Energy: 1.0314202399802284
Energy: 1.0164273265821244
Energy: 1.0313626692463227
Energy: 1.031270477805301
Energy: 1.0226272653502686
Energy: 1.0218942961419901
Energy: 1.021705841367486
   minimum gb energy = 1.01322610798336 eV
   minimum distance = 2.54546382627493 Angstroms
   sigma value = 137

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

Energy: 1.0093022374591674
Energy: 0.9796519854037768
Energy: 0.9796519813807963
Energy: 0.9839360817555849
Energy: 1.0093022224354666
Energy: 1.0093021980596548
Energy: 0.9796477089747903
Energy: 1.0093474859771043
Energy: 1.0093474862724963
Energy: 1.009302197323521
Energy: 0.9834743637092306
Energy: 0.9834741541398536
Energy: 1.0093033707035393
Energy: 1.0093021890529412
Energy: 1.0093023294399532
Energy: 1.0093021870022367
Energy: 1.0093474954282147
Energy: 1.0093474930245558
Energy: 0.9839348419687302
Energy: 1.0760969791475414
Energy: 1.076097144495741
Energy: 1.0093026179447415
Energy: 1.0093021869922603
Energy: 1.00930231502615
Energy: 1.00930225757933
Energy: 1.0093021953407992
Energy: 1.0093021869935443
Energy: 0.9834748764513274
Energy: 1.076096823379084
Energy: 1.0760974694637786
   minimum gb energy = 0.9796477089747903 eV
   minimum distance = 2.56226355540039 Angstroms
   sigma value = 5

========================================
theta = 56.144973871705915
========================================

Energy: 1.0020836541804834
Energy: 1.006887255833267
Energy: 1.006925969120508
Energy: 0.9825027979417839
Energy: 1.0580086548175545
Energy: 1.058026809508313
Energy: 0.9740532181233205
Energy: 0.9758473935837406
Energy: 0.9758178405238899
Energy: 0.972342270688876
Energy: 0.9757718027356117
Energy: 0.9758515066290356
Energy: 1.0719303478854787
Energy: 0.9690902046379187
Energy: 0.9691524719703255
Energy: 1.0803157580952492
Energy: 0.9722784967370439
Energy: 0.9723102075537859
Energy: 0.9668312406895567
Energy: 0.9983120314345133
Energy: 0.9983515730926614
Energy: 0.9692499671519141
Energy: 0.9893327587470515
Energy: 0.9891733428921285
Energy: 0.9690226594979595
Energy: 0.9883636898158829
Energy: 0.9883380348446301
Energy: 0.9690895515679042
Energy: 0.986314375823826
Energy: 0.9863673080542319
   minimum gb energy = 0.9668312406895567 eV
   minimum distance = 2.56720541987631 Angstroms
   sigma value = 289

========================================
theta = 56.60151153201276
========================================

Energy: 1.0059360592333912
Energy: 0.9968440182772347
Energy: 0.9968834813730012
Energy: 0.9818574556282066
Energy: 0.976424398712961
Energy: 0.9765406796184822
Energy: 0.9795771372020448
Energy: 0.9705615748522086
Energy: 0.9704344287376334
Energy: 0.9607220033506846
Energy: 0.9924903483378742
Energy: 0.992420757800237
Energy: 0.9621476288327333
Energy: 1.030615029102035
Energy: 1.0306358593850746
Energy: 1.1417235050557966
Energy: 0.9816534032725056
Energy: 0.981569586814598
Energy: 0.9681126816229172
Energy: 0.9816079427056054
Energy: 0.9815745662803843
Energy: 0.9656834950408077
Energy: 0.9858344827841611
Energy: 0.985832986583451
Energy: 0.9609454621925901
Energy: 0.9916509571414855
Energy: 0.991640841773811
Energy: 1.0121318429936321
Energy: 0.9776862656851775
Energy: 0.9776408899321277
   minimum gb energy = 0.9607220033506846 eV
   minimum distance = 2.56383777900679 Angstroms
   sigma value = 109

========================================
theta = 57.22091933193044
========================================

Energy: 0.9898352997916954
Energy: 0.9937957602432448
Energy: 0.9938218604108644
Energy: 0.9473604328309009
Energy: 0.9600790384418032
Energy: 0.9600817496034355
Energy: 0.9471253306030121
Energy: 0.9626766009322087
Energy: 0.9626733050146011
Energy: 0.9720114133330185
Energy: 1.0067816001002523
Energy: 1.0067724736156336
Energy: 0.9514721695506914
Energy: 0.9720541870229461
Energy: 0.9719965211605317
Energy: 0.988025922757447
Energy: 0.9652416740658456
Energy: 0.9652562087933807
Energy: 0.9659500869534307
Energy: 0.9760138718816261
Energy: 0.9760300256139703
Energy: 0.947197116462429
Energy: 1.0750780280984407
Energy: 1.0750980372392478
Energy: 1.0681691495008303
Energy: 0.9720413218001588
Energy: 0.9720037199502265
Energy: 0.9548141001689908
Energy: 0.9671242830303446
Energy: 0.9671442405497884
   minimum gb energy = 0.9471253306030121 eV
   minimum distance = 2.57085413218342 Angstroms
   sigma value = 157

========================================
theta = 58.10920819815429
========================================

Energy: 0.9808066042615358
Energy: 0.9798102330764193
Energy: 0.9797874874863104
Energy: 0.9405720173237383
Energy: 0.9652928469640558
Energy: 0.9653091623626887
Energy: 0.9463157660325617
Energy: 0.9652996935819497
Energy: 0.9653027040102322
Energy: 0.9405949925629029
Energy: 0.9876437708336331
Energy: 0.9876220248933498
Energy: 1.087305685186785
Energy: 0.9600500345321612
Energy: 0.960052359158042
Energy: 1.013323697605966
Energy: 0.9370659207881737
Energy: 0.9370391103633097
Energy: 0.9710435223331909
Energy: 0.9463312923483307
Energy: 0.9463146385752507
Energy: 0.9337270769937168
Energy: 0.9574709295004461
Energy: 0.9574729776046247
Energy: 0.9405730022845393
Energy: 0.9652290421922682
Energy: 0.9652295523965021
Energy: 0.9523852787567976
Energy: 1.0547491846061707
Energy: 1.0547177154718
   minimum gb energy = 0.9337270769937168 eV
   minimum distance = 2.56735074407433 Angstroms
   sigma value = 53

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

Energy: 0.963286426217448
Energy: 0.9571050440329772
Energy: 0.9570432712313279
Energy: 0.9321890258913128
Energy: 0.9436270193184819
Energy: 0.9436419391005636
Energy: 0.9313361965512069
Energy: 0.9515893049270324
Energy: 0.9515819291768144
Energy: 0.9913359031145473
Energy: 0.9177941336589132
Energy: 0.9177961298949819
Energy: 0.9138553397791211
Energy: 0.9345067126828615
Energy: 0.9344066464500463
Energy: 1.0223550606066574
Energy: 0.9349030318563936
Energy: 0.9349020189036025
Energy: 0.9138780948825005
Energy: 0.934400919654594
Energy: 0.9344043790833769
Energy: 0.953527674686913
Energy: 0.9447948228445563
Energy: 0.9448128413752682
Energy: 0.9178005127191687
Energy: 1.010366024452948
Energy: 1.0103596713379184
Energy: 1.1471423782251169
Energy: 0.928410919190475
Energy: 0.9282864217729022
   minimum gb energy = 0.9138553397791211 eV
   minimum distance = 2.56475233237314 Angstroms
   sigma value = 1

========================================
theta = 60.512874327058526
========================================

Energy: 0.965413632507805
Energy: 0.9297202767848135
Energy: 0.9296310916001187
Energy: 0.9200689810293842
Energy: 0.937938658840015
Energy: 0.9378532854115714
Energy: 0.8990079624858348
Energy: 0.9373819993125351
Energy: 0.9374244501453731
Energy: 0.9298437051766205
Energy: 0.9244570544513969
Energy: 0.9243995088673407
Energy: 0.9930887498687907
Energy: 0.9080103747814824
Energy: 0.9080235472790966
Energy: 0.8990460390439206
Energy: 1.0270473994865728
Energy: 1.027046314927749
Energy: 1.0291632796706782
Energy: 0.9156338592385587
Energy: 0.9156315485198797
Energy: 0.8990322196711014
Energy: 0.9550562406196976
Energy: 0.9550656562528598
Energy: 0.8928396194322404
Energy: 0.9299174405340088
Energy: 0.9299199669365972
Energy: 0.9471977525305374
Energy: 0.9320492013062754
Energy: 0.9320572009661877
   minimum gb energy = 0.8928396194322404 eV
   minimum distance = 2.53286971337283 Angstroms
   sigma value = 3

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

Energy: 0.9253000419667033
Energy: 0.8754408460377147
Energy: 0.8754380188620049
Energy: 0.8562859196306701
Energy: 0.9620680033631125
Energy: 0.962072038422671
Energy: 0.8562809660133027
Energy: 0.9641441679481726
Energy: 0.9641633788205417
Energy: 0.8564285407146529
Energy: 0.8755830758540754
Energy: 0.8755103821027225
Energy: 0.9252838605630405
Energy: 0.9162568342062094
Energy: 0.916259530016465
Energy: 0.8798490898254016
Energy: 0.8755003460764226
Energy: 0.8755113176039954
Energy: 0.8890521248075383
Energy: 0.8754766997683543
Energy: 0.8754386597237189
Energy: 0.9253016398053772
Energy: 0.875503413126298
Energy: 0.8755053152753467
Energy: 0.8563316498602089
Energy: 0.9599061816533151
Energy: 0.9599061776867036
Energy: 0.8565100933842742
Energy: 0.9641025047867683
Energy: 0.9640995395143634
   minimum gb energy = 0.8562809660133027 eV
   minimum distance = 2.54413259839843 Angstroms
   sigma value = 17

========================================
theta = 63.2150044924978
========================================

Energy: 0.975537693170516
Energy: 0.8905835210896205
Energy: 0.8905630939303617
Energy: 0.8647932368137777
Energy: 1.010871702750215
Energy: 1.0108816619892622
Energy: 0.8640639520585616
Energy: 0.8977784710062319
Energy: 0.897759635871442
Energy: 0.9891022805596956
Energy: 0.8899213617923868
Energy: 0.8899029314277787
Energy: 1.0191632190086481
Energy: 0.8699959150339154
Energy: 0.8700104600947088
Energy: 0.8733331440789598
Energy: 0.9104314209687052
Energy: 0.9104195303330536
Energy: 0.9588547492029368
Energy: 0.8829307520443772
Energy: 0.8829657135855299
Energy: 0.8637974584901441
Energy: 0.9045411921377353
Energy: 0.9045528916054133
Energy: 0.8651127446987618
Energy: 0.8761338438373407
Energy: 0.8761508805484227
Energy: 0.8713738744162479
Energy: 0.8918783775364449
Energy: 0.8918377770344578
   minimum gb energy = 0.8637974584901441 eV
   minimum distance = 2.54000207777136 Angstroms
   sigma value = 233

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

Energy: 0.9007491773963826
Energy: 0.8553561099614968
Energy: 0.8552234160729139
Energy: 0.8470500148528481
Energy: 0.9007721861827498
Energy: 0.9007279904076427
Energy: 0.8775946838559192
Energy: 0.8722274098720362
Energy: 0.8722374755611115
Energy: 0.8673343627828259
Energy: 0.8612678722443156
Energy: 0.8613159834933706
Energy: 0.8553854850883781
Energy: 0.888506408279145
Energy: 0.8885138284298157
Energy: 0.8679993727496997
Energy: 0.8775750236541814
Energy: 0.8775784729327858
Energy: 0.855231467252019
Energy: 0.8885429717162676
Energy: 0.8884752443287888
Energy: 1.0364518864860364
Energy: 0.8674114655761593
Energy: 0.8673526755312264
Energy: 0.8470472528935324
Energy: 0.8775937062574288
Energy: 0.877627682325654
Energy: 0.8470892083357504
Energy: 0.8553472207263723
Energy: 0.8552363035079495
   minimum gb energy = 0.8470472528935324 eV
   minimum distance = 2.55406190475834 Angstroms
   sigma value = 89

========================================
theta = 64.94238458169698
========================================

Energy: 0.8948498085629921
Energy: 0.8433062173749896
Energy: 0.8432965699180837
Energy: 0.8590207163654159
Energy: 0.8792593463357827
Energy: 0.8792509586498383
Energy: 0.855405107939893
Energy: 0.8525695323984606
Energy: 0.8525548273589588
Energy: 0.829023214800393
Energy: 0.843354417286066
Energy: 0.8433651473809627
Energy: 0.8405227632741087
Energy: 0.8604024187881022
Energy: 0.860400808211143
Energy: 0.9439935980111941
Energy: 0.8433151241194735
Energy: 0.8433340989345486
Energy: 0.8405409974199761
Energy: 0.847805939038284
Energy: 0.8478016797918838
Energy: 0.8561643286035677
Energy: 0.8525963034774193
Energy: 0.8525531651546066
Energy: 0.840542531922402
Energy: 0.8478093873786465
Energy: 0.8478136272497319
Energy: 0.8996958138063484
Energy: 0.8564060954612459
Energy: 0.8564004156785521
   minimum gb energy = 0.829023214800393 eV
   minimum distance = 2.55723690597154 Angstroms
   sigma value = 85

========================================
theta = 65.4704525442152
========================================

Energy: 0.8827429636268219
Energy: 0.8632362697100721
Energy: 0.8631824477069892
Energy: 0.8314368822519774
Energy: 0.8530077081968722
Energy: 0.8530613827476555
Energy: 0.8240584514413277
Energy: 0.8530335626866078
Energy: 0.8530567483568972
Energy: 0.8490037571694656
Energy: 0.8483083812580084
Energy: 0.8482961585964455
Energy: 0.8369849382127023
Energy: 0.845728401330852
Energy: 0.8457398998083413
Energy: 0.8291571349230432
Energy: 0.8547422659741246
Energy: 0.8547601268264463
Energy: 0.8440215116923944
Energy: 0.9097854359812844
Energy: 0.9097906495694416
Energy: 0.8339333437128541
Energy: 0.8720127637824281
Energy: 0.8720396910815219
Energy: 0.8237541903562126
Energy: 0.8720146156751591
Energy: 0.8720181196268814
Energy: 0.9228324716849927
Energy: 0.8439891250948747
Energy: 0.8440356666043802
   minimum gb energy = 0.8237541903562126 eV
   minimum distance = 2.55278095292969 Angstroms
   sigma value = 69

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

Energy: 0.7979230467662278
Energy: 0.7979235703637303
Energy: 0.7979228537770557
Energy: 0.826948964675131
Energy: 0.7980393307260968
Energy: 0.798036370342384
Energy: 0.7833486670268065
Energy: 0.8269484100529783
Energy: 0.8269481454091635
Energy: 0.7980395644206861
Energy: 0.8269480836924369
Energy: 0.8269477887924784
Energy: 0.7980374114588817
Energy: 0.8269481681016428
Energy: 0.8269481577249761
Energy: 0.7836001600052696
Energy: 0.8019546826577659
Energy: 0.8019546951066632
Energy: 0.798036968992966
Energy: 0.7980402591665159
Energy: 0.7980422779853356
Energy: 0.7980441817720033
Energy: 0.9364340340898069
Energy: 0.9364296195118793
Energy: 0.7980410021858689
Energy: 0.8269491757600935
Energy: 0.826948738707078
Energy: 0.7980422607147769
Energy: 0.826948594949746
Energy: 0.8269492311206882
   minimum gb energy = 0.7833486670268065 eV
   minimum distance = 2.57441011923844 Angstroms
   sigma value = 13

========================================
theta = 69.39030706246794
========================================

Energy: 0.9961295571441054
Energy: 1.023527519180718
Energy: 1.0235290797385737
Energy: 0.7598134040098659
Energy: 0.8021492886767734
Energy: 0.8021480130232472
Energy: 0.78667212149887
Energy: 0.9389053779657968
Energy: 0.9389059732828152
Energy: 0.7597436504220277
Energy: 0.7782225376663234
Energy: 0.7782136393860191
Energy: 0.7687134791614745
Energy: 0.7831553341479037
Energy: 0.783150726558023
Energy: 0.7597490225588405
Energy: 0.7782083775546652
Energy: 0.7782050946790958
Energy: 0.7549549460600359
Energy: 0.7782058002376503
Energy: 0.7782173378503213
Energy: 0.7884216183204522
Energy: 0.7662965417526052
Energy: 0.7663015990870932
Energy: 0.8795695272601867
Energy: 0.7782034246777327
Energy: 0.7782126754580574
Energy: 0.8918614193386211
Energy: 0.7687270593128992
Energy: 0.7687284792674207
   minimum gb energy = 0.7549549460600359 eV
   minimum distance = 2.5644664545835 Angstroms
   sigma value = 125

========================================
theta = 69.98404039711733
========================================

Energy: 0.8050664793824202
Energy: 1.0770757828653108
Energy: 1.0770756177855558
Energy: 0.7460867171072776
Energy: 0.7849424832074294
Energy: 0.7849420961944398
Energy: 0.7688351060471358
Energy: 0.7713459657071187
Energy: 0.7713548793364166
Energy: 0.7450663565412834
Energy: 0.8479371542286488
Energy: 0.8479361865961123
Energy: 0.8765251828072109
Energy: 0.7583546989319483
Energy: 0.7583449002989078
Energy: 0.7688339313143538
Energy: 0.7750281356244708
Energy: 0.7750273402593881
Energy: 0.745074196056585
Energy: 0.7582409850786429
Energy: 0.7582270513744204
Energy: 0.8952457434311538
Energy: 0.7633765409256401
Energy: 0.7633772114090511
Energy: 0.7595432920486445
Energy: 0.9407963667449789
Energy: 0.9407974947365592
Energy: 0.7450475882558955
Energy: 0.7849433558964858
Energy: 0.784943074246064
   minimum gb energy = 0.7450475882558955 eV
   minimum distance = 2.56087898668317 Angstroms
   sigma value = 37

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

Energy: 0.7648139618197617
Energy: 0.7331179597149023
Energy: 0.7331190391098112
Energy: 0.7110205984386785
Energy: 0.7451951069836805
Energy: 0.745201865598915
Energy: 0.7109245307949029
Energy: 0.745197020419273
Energy: 0.7451977517595281
Energy: 0.7327452127212165
Energy: 0.7482352362037958
Energy: 0.7482340212178349
Energy: 0.9097275362047416
Energy: 0.7482355584385055
Energy: 0.7482385218880604
Energy: 0.7110116306765774
Energy: 0.7451950799035166
Energy: 0.7451967579480955
Energy: 0.7327577718110774
Energy: 0.78791992140593
Energy: 0.7879180523300326
Energy: 1.0871383326276294
Energy: 0.7482385783282965
Energy: 0.7482367897526322
Energy: 0.7314944678609379
Energy: 0.7314118413417857
Energy: 0.7314133382177631
Energy: 0.7327490990612525
Energy: 0.7878213179121671
Energy: 0.7878200005786916
   minimum gb energy = 0.7109245307949029 eV
   minimum distance = 2.58072370547662 Angstroms
   sigma value = 37

========================================
theta = 72.05474677020722
========================================

Energy: 0.9746006575272935
Energy: 1.029573641511985
Energy: 1.0295740403225093
Energy: 0.6915900474127821
Energy: 0.7296529430951524
Energy: 0.729653902596304
Energy: 0.7080459265980362
Energy: 0.7209971671806557
Energy: 0.7209937127086704
Energy: 0.7091215897256645
Energy: 0.7321119250050778
Energy: 0.7321085989005301
Energy: 0.6990529026564947
Energy: 0.7210084971468321
Energy: 0.72100160293873
Energy: 0.9458541938903096
Energy: 0.7326431698795789
Energy: 0.732643914011719
Energy: 0.708048962781054
Energy: 0.8477122343175746
Energy: 0.8871759489768474
Energy: 1.1554798357817717
Energy: 0.7127849207861198
Energy: 0.7127942247686193
Energy: 0.7080487486068775
Energy: 0.744627597778323
Energy: 0.7446355716653967
Energy: 0.7080561602946094
Energy: 0.7781626341460457
Energy: 0.7781625797644088
   minimum gb energy = 0.6915900474127821 eV
   minimum distance = 2.57119926661717 Angstroms
   sigma value = 185

========================================
theta = 72.50767547488958
========================================

Energy: 0.9030015581611353
Energy: 0.7029342607262896
Energy: 0.7029294631038296
Energy: 0.6879509945000973
Energy: 0.7189064936645624
Energy: 0.7189111021359305
Energy: 0.8761261174710345
Energy: 0.7177266404811874
Energy: 0.7177254870952358
Energy: 0.7021813570081289
Energy: 0.8617560824179888
Energy: 0.8617512128231019
Energy: 0.6967990696805567
Energy: 0.7029380109738912
Energy: 0.702940336891523
Energy: 0.7021871191127156
Energy: 0.7096783337307545
Energy: 0.7096750812647332
Energy: 0.6965244026623716
Energy: 0.7096749221697954
Energy: 0.709677673879363
Energy: 0.8789406658405949
Energy: 0.7104092431967647
Energy: 0.7104110692049957
Energy: 0.7026265351888573
Energy: 0.7103905976922803
Energy: 0.7103892062076977
Energy: 0.876123340497569
Energy: 0.7177266048102796
Energy: 0.7177270850841201
   minimum gb energy = 0.6879509945000973 eV
   minimum distance = 2.55745656343366 Angstroms
   sigma value = 173

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

Energy: 0.8665058006045216
Energy: 0.6666861400790131
Energy: 0.6666866885149787
Energy: 0.6881280325058715
Energy: 0.805389086383797
Energy: 0.8053876711693388
Energy: 0.6668343418387932
Energy: 0.7501017895417105
Energy: 0.7501039720891729
Energy: 0.6741463195770302
Energy: 0.7751768980095994
Energy: 0.7751749136119344
Energy: 0.6560758725060439
Energy: 0.7649396338070494
Energy: 0.7649399299491325
Energy: 0.6741434000373838
Energy: 0.6979651218286375
Energy: 0.6979553609456598
Energy: 0.8227360548088278
Energy: 0.775786525537725
Energy: 0.7757862306720809
Energy: 0.8665058205775638
Energy: 0.6979551864864383
Energy: 0.6979576806077072
Energy: 0.8227360346211208
Energy: 0.6979630089978336
Energy: 0.6979576192208231
Energy: 0.6668388911322283
Energy: 0.6979551613261165
Energy: 0.6979556638088652
   minimum gb energy = 0.6560758725060439 eV
   minimum distance = 2.58419275606462 Angstroms
   sigma value = 25

========================================
theta = 75.13718405765499
========================================

Energy: 0.869991069805557
Energy: 0.6490154698898573
Energy: 0.6490154428220097
Energy: 0.6353954537020536
Energy: 0.6635452910335068
Energy: 0.6635390806021553
Energy: 0.6489248230390459
Energy: 0.6497314509621652
Energy: 0.6497290843605623
Energy: 0.625870763329239
Energy: 0.6489951023308365
Energy: 0.6489951684648649
Energy: 0.64010702386842
Energy: 0.8056409089200062
Energy: 0.8056384729816517
Energy: 0.6635353994576604
Energy: 0.648996566914216
Energy: 0.6489968494430769
Energy: 0.625772582125785
Energy: 0.660234247522939
Energy: 0.6602450343517036
Energy: 0.8817248142452108
Energy: 0.6444175476381221
Energy: 0.6444175125360487
Energy: 0.6319461665467981
Energy: 0.6560284205409024
Energy: 0.6560275322143254
Energy: 0.639652595580688
Energy: 0.6528649400544345
Energy: 0.652865235314276
   minimum gb energy = 0.625772582125785 eV
   minimum distance = 2.56469521930645 Angstroms
   sigma value = 269

========================================
theta = 75.74996730219641
========================================

Energy: 1.0091215786917265
Energy: 0.6421700696704692
Energy: 0.6421689693597591
Energy: 0.6233997331455032
Energy: 0.6617287260423225
Energy: 0.6617284794664836
Energy: 0.5987084573029516
Energy: 0.6428301554689242
Energy: 0.6428307250838593
Energy: 0.7113370934002358
Energy: 0.6481308367484722
Energy: 0.6481354572395824
Energy: 0.7137172833574751
Energy: 0.6483672691483159
Energy: 0.6483732680061042
Energy: 0.6179867163756361
Energy: 0.6617237718402549
Energy: 0.6617322388799498
Energy: 0.6091313624378392
Energy: 0.625650183107889
Energy: 0.6256531628441808
Energy: 0.9947715148186804
Energy: 0.648132073149348
Energy: 0.6481318618334289
Energy: 0.6235889914429552
Energy: 0.7288059646766978
Energy: 0.7288072828405266
Energy: 0.6179834319258561
Energy: 0.6617276061084478
Energy: 0.661726249176655
   minimum gb energy = 0.5987084573029516 eV
   minimum distance = 2.57862144726361 Angstroms
   sigma value = 65

========================================
theta = 76.31445317473812
========================================

Energy: 0.9891018019224903
Energy: 0.6143887946753138
Energy: 0.6143888975684486
Energy: 0.5904728178421603
Energy: 0.6233213096314032
Energy: 0.6233235879827561
Energy: 0.6169364917584474
Energy: 0.8183465359385356
Energy: 0.8183424542841887
Energy: 0.6032518217337312
Energy: 0.6067528523728626
Energy: 0.6067538011800906
Energy: 0.6067536554627013
Energy: 0.7646550306980439
Energy: 0.7646556074087001
Energy: 0.8008245378276948
Energy: 0.6104850687733071
Energy: 0.6104850591312718
Energy: 0.6067530138148457
Energy: 0.7615295329922614
Energy: 0.7615230267789613
Energy: 1.0713579953989303
Energy: 0.6104846106358934
Energy: 0.6104841444894643
Energy: 0.606753443332244
Energy: 0.6237400617167154
Energy: 0.6237391044814182
Energy: 0.7848091551663255
Energy: 0.6102573370427226
Energy: 0.6102579724999938
   minimum gb energy = 0.5904728178421603 eV
   minimum distance = 2.5713973422484 Angstroms
   sigma value = 79

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

Energy: 0.6210066060290992
Energy: 0.5865789057796856
Energy: 0.5865789692898484
Energy: 0.5852480268185914
Energy: 0.6018110071566978
Energy: 0.601811234826008
Energy: 0.5757613567722457
Energy: 0.5865792183400999
Energy: 0.5865795101097369
Energy: 0.5852480786002281
Energy: 0.6210400792975237
Energy: 0.6210018680620962
Energy: 0.5865794864410615
Energy: 0.6473799725537605
Energy: 0.6473809567569769
Energy: 0.5646084115631946
Energy: 0.5852480224357569
Energy: 0.5852480882632501
Energy: 0.5865796397174665
Energy: 0.5865795846862382
Energy: 0.5865794211460403
Energy: 0.6209993125869281
Energy: 0.6210013738218041
Energy: 0.6210005824823605
Energy: 0.5852503108544697
Energy: 0.5865793592985912
Energy: 0.5865796034646155
Energy: 0.5646124488755805
Energy: 0.5852480866976381
Energy: 0.5852480651354118
   minimum gb energy = 0.5646084115631946 eV
   minimum distance = 2.57986328036533 Angstroms
   sigma value = 41

========================================
theta = 78.57881372500071
========================================

Energy: 0.8170282885982271
Energy: 0.5670035187705881
Energy: 0.5670106305229813
Energy: 0.5357512666810818
Energy: 0.5726239964659032
Energy: 0.5726357407032516
Energy: 0.530373424710776
Energy: 0.5726254806829766
Energy: 0.5726399951839759
Energy: 0.7797050552787922
Energy: 0.5656941589347293
Energy: 0.5656964914227641
Energy: 0.7819370918575008
Energy: 0.5657018154983512
Energy: 0.5656987777624082
Energy: 0.5525895021564806
Energy: 0.5656993717071036
Energy: 0.5656955607818382
Energy: 0.5477501973008262
Energy: 0.6294685813968625
Energy: 0.6294491758709985
Energy: 1.0111108642152482
Energy: 0.5728753388802644
Energy: 0.5728646275655005
Energy: 0.5381064666916743
Energy: 0.5456440467300712
Energy: 0.5456442186485162
Energy: 0.5312409722530264
Energy: 0.5595316773003889
Energy: 0.5595301792880398
   minimum gb energy = 0.530373424710776 eV
   minimum distance = 2.57688090028872 Angstroms
   sigma value = 101

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

Energy: 0.9447903144196403
Energy: 0.5118412897778938
Energy: 0.5118461633562483
Energy: 0.5226247206260879
Energy: 0.5205994735466786
Energy: 0.5205928742225672
Energy: 0.5109231874260628
Energy: 0.5836357706361224
Energy: 0.5836326401495913
Energy: 0.5037117808232495
Energy: 0.5319019347170912
Energy: 0.5319005807799935
Energy: 0.5109233851339469
Energy: 0.5319103803310846
Energy: 0.5318986942273003
Energy: 0.5109231900354881
Energy: 0.5319098029092317
Energy: 0.5319142419439281
Energy: 0.5109232202108425
Energy: 0.5319102934069518
Energy: 0.5319074534192044
Energy: 0.9378744481733531
Energy: 0.5319060596297188
Energy: 0.5319109569557043
Energy: 0.9219229264226694
Energy: 0.5319048529264284
Energy: 0.5319079098834263
Energy: 0.5116829181628045
Energy: 0.5479383566567708
Energy: 0.547941807167629
   minimum gb energy = 0.5037117808232495 eV
   minimum distance = 2.58577091448198 Angstroms
   sigma value = 15

========================================
theta = 80.47271661854764
========================================

Energy: 0.8581459844268831
Energy: 0.5034348917553159
Energy: 0.503440297868826
Energy: 0.7196994430444301
Energy: 0.510922604034112
Energy: 0.5109235075720213
Energy: 0.48349822688852
Energy: 0.510926685104356
Energy: 0.5109368497087365
Energy: 0.5508914011576664
Energy: 0.5109383748523733
Energy: 0.5109379571480638
Energy: 0.833478168929257
Energy: 0.4932754843750106
Energy: 0.4932749841243966
Energy: 0.4904329222480368
Energy: 0.5049823113225023
Energy: 0.5049927269359547
Energy: 0.47860325400392273
Energy: 0.5109265593427023
Energy: 0.5109285154088687
Energy: 0.6554221051407562
Energy: 0.5100966360590617
Energy: 0.5100966360536403
Energy: 0.49276772114970446
Energy: 0.5579417900012164
Energy: 0.5579572896135849
Energy: 0.4718064193659088
Energy: 0.5137780478946612
Energy: 0.5137867253618621
   minimum gb energy = 0.4718064193659088 eV
   minimum distance = 2.57952227071645 Angstroms
   sigma value = 145

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

Energy: 0.8434020249845734
Energy: 0.47595791288610806
Energy: 0.47595662288753376
Energy: 0.4713728328029194
Energy: 0.48927378984435194
Energy: 0.48927803877780246
Energy: 0.4575914739859569
Energy: 0.4708962016163735
Energy: 0.47089538917419654
Energy: 0.4477850867270831
Energy: 0.4713719203602395
Energy: 0.4713694316026082
Energy: 0.45759012351401845
Energy: 0.4708940864529819
Energy: 0.47089651811622424
Energy: 0.45758974932289287
Energy: 0.4892990810749282
Energy: 0.48928799145444346
Energy: 0.4708976928249861
Energy: 0.47960405236805315
Energy: 0.47959994598931716
Energy: 0.8391446605230521
Energy: 0.48927982796390274
Energy: 0.4892754447146311
Energy: 0.6944652573609251
Energy: 0.4796012569230725
Energy: 0.47959880707358216
Energy: 0.45602182979004097
Energy: 0.45759003728031666
Energy: 0.45758989291228136
   minimum gb energy = 0.4477850867270831 eV
   minimum distance = 2.57672993153271 Angstroms
   sigma value = 85

========================================
theta = 81.82876644005026
========================================

Energy: 0.6382016844383579
Energy: 0.4604691332949845
Energy: 0.4604647762552647
Energy: 0.44149478361240657
Energy: 0.503596048881322
Energy: 0.5035949657548429
Energy: 0.4414947570999379
Energy: 0.4587214123960895
Energy: 0.4587148580535657
Energy: 0.620197192564553
Energy: 0.47185623924343184
Energy: 0.4718611137751072
Energy: 0.6202095529216641
Energy: 0.46238460883501276
Energy: 0.46238392809535545
Energy: 0.43927244182346786
Energy: 0.46238293596776414
Energy: 0.4623877500540733
Energy: 0.4368863982774249
Energy: 0.46238490650724196
Energy: 0.4623822960306742
Energy: 0.4627959874088676
Energy: 0.4585083041694247
Energy: 0.45849941655206655
Energy: 0.6508215773650637
Energy: 0.45489247842320246
Energy: 0.4548927204520063
Energy: 0.43035627759634426
Energy: 0.46238295880544783
Energy: 0.4623831428958328
   minimum gb energy = 0.43035627759634426 eV
   minimum distance = 2.58300228258401 Angstroms
   sigma value = 197

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

Energy: 0.7176130348711202
Energy: 0.4420566878963005
Energy: 0.4420527254348964
Energy: 0.5371881779406689
Energy: 0.4541230617738582
Energy: 0.4541132952821437
Energy: 0.49264485032185934
Energy: 0.48209326577856926
Energy: 0.4820941957562865
Energy: 0.4102627491251217
Energy: 0.46142766985186584
Energy: 0.46142669308886924
Energy: 0.5938501264750832
Energy: 0.4618024698585193
Energy: 0.4618013078346134
Energy: 0.49345808012116527
Energy: 0.4541172853756172
Energy: 0.4541130646815948
Energy: 0.6656071163433064
Energy: 0.46792781915022275
Energy: 0.46794874898222294
Energy: 0.7129063967768189
Energy: 0.45411303468729153
Energy: 0.4541131164065382
Energy: 0.5381837761431822
Energy: 0.42963654369026594
Energy: 0.42963757059453894
Energy: 0.43597238915447617
Energy: 0.45487725537895324
Energy: 0.4548538737800594
   minimum gb energy = 0.4102627491251217 eV
   minimum distance = 2.59206381522038 Angstroms
   sigma value = 113

========================================
theta = 83.2670786731404
========================================

Energy: 0.5768608559028849
Energy: 0.41825236179660724
Energy: 0.41824680371364475
Energy: 0.3899410664871734
Energy: 0.40812138890711835
Energy: 0.4081187102745959
Energy: 0.38993779204126405
Energy: 0.42925482496981976
Energy: 0.4292324939108062
Energy: 0.3899399591313596
Energy: 0.4292339891416847
Energy: 0.429235884675769
Energy: 0.37627468194254415
Energy: 0.429233871826768
Energy: 0.4292308631193252
Energy: 0.3995706181016033
Energy: 0.4081128161103701
Energy: 0.4081118021405453
Energy: 0.8340051421225249
Energy: 0.4184876718528881
Energy: 0.4184877900725246
Energy: 0.4292315459566075
Energy: 0.42923416663733077
Energy: 0.42923337329452277
Energy: 0.67934404900485
Energy: 0.42923145058089135
Energy: 0.42923238102390676
Energy: 0.5544500685507747
Energy: 0.40810923006511124
Energy: 0.40810427723241866
   minimum gb energy = 0.37627468194254415 eV
   minimum distance = 2.58928682094746 Angstroms
   sigma value = 145

========================================
theta = 83.97442499163331
========================================

Energy: 0.4085883215226194
Energy: 0.3874862906088391
Energy: 0.38749446173780205
Energy: 0.7712169184266606
Energy: 0.38881245065591014
Energy: 0.388821928220832
Energy: 0.35870457393190974
Energy: 0.38881850173457616
Energy: 0.38881858809761555
Energy: 0.3728308281388644
Energy: 0.3888209843121259
Energy: 0.38882319209659866
Energy: 0.3587040056832432
Energy: 0.4070605194995455
Energy: 0.40708445953329825
Energy: 0.5091911457686464
Energy: 0.3888134640691369
Energy: 0.38881230255244786
Energy: 0.38881707957569644
Energy: 0.3888029924575219
Energy: 0.3888151034554805
Energy: 0.40707820416176604
Energy: 0.39779235245342476
Energy: 0.39779854384293845
Energy: 0.36531798174050345
Energy: 0.3725078199096849
Energy: 0.3725108064733775
Energy: 0.37251128311268994
Energy: 0.40707463043994613
Energy: 0.4070675231708743
   minimum gb energy = 0.3587040056832432 eV
   minimum distance = 2.59120648949952 Angstroms
   sigma value = 181

========================================
theta = 84.54737801218748
========================================

Energy: 0.38838793033047425
Energy: 0.36548062897709116
Energy: 0.3654776874167256
Energy: 0.5798626302838183
Energy: 0.3791774426897589
Energy: 0.37918101632697643
Energy: 0.344337512396682
Energy: 0.36399221736828297
Energy: 0.3639975469889233
Energy: 0.34409591340599494
Energy: 0.3639893046728447
Energy: 0.3640022092827441
Energy: 0.34409266959815293
Energy: 0.3713402785092473
Energy: 0.3713523762783784
Energy: 0.34409244502371955
Energy: 0.37918215763685814
Energy: 0.3791778971004441
Energy: 0.5798378567147775
Energy: 0.3713558601454841
Energy: 0.3713602668106128
Energy: 0.3791899772708891
Energy: 0.3713494484088084
Energy: 0.37134778517224315
Energy: 0.5798481630267358
Energy: 0.3713449306424575
Energy: 0.37134324801156676
Energy: 0.33345737978624507
Energy: 0.37136013072130175
Energy: 0.37136179910563993
   minimum gb energy = 0.33345737978624507 eV
   minimum distance = 2.58935029296381 Angstroms
   sigma value = 55

========================================
theta = 85.02089415600169
========================================

Energy: 0.3703592750272267
Energy: 0.3501900579539584
Energy: 0.35018278793985674
Energy: 0.5467174986826582
Energy: 0.3490319353351011
Energy: 0.34902725395491435
Energy: 0.5328842635051624
Energy: 0.33112380952728115
Energy: 0.33112386138536426
Energy: 0.31257689474239575
Energy: 0.3555537057905847
Energy: 0.35555127310450124
Energy: 0.3313143369945837
Energy: 0.3429398239769665
Energy: 0.34296058194767015
Energy: 0.3209262984041928
Energy: 0.34270597121726065
Energy: 0.3427048929466002
Energy: 0.3248188187740906
Energy: 0.3258680889109282
Energy: 0.3258674706507195
Energy: 0.35554930164980253
Energy: 0.35555596740148315
Energy: 0.35557021177791764
Energy: 0.5467104116478458
Energy: 0.3368010500266223
Energy: 0.3368073772745588
Energy: 0.3209257703547194
Energy: 0.3555505392717272
Energy: 0.3555503580399463
   minimum gb energy = 0.31257689474239575 eV
   minimum distance = 2.5890064837359 Angstroms
   sigma value = 265

========================================
theta = 85.41877991472295
========================================

Energy: 0.34276697353092167
Energy: 0.32672953387001147
Energy: 0.32672481648748797
Energy: 0.3127278455516155
Energy: 0.314515682358521
Energy: 0.31451496682293917
Energy: 0.3100352853089942
Energy: 0.3244739712445161
Energy: 0.32446477166936394
Energy: 0.29018220964146285
Energy: 0.32977054859566524
Energy: 0.3297880230982824
Energy: 0.30988183970461036
Energy: 0.324465342912196
Energy: 0.32446796969990943
Energy: 0.30181500107886405
Energy: 0.3297701182971422
Energy: 0.32977004195476034
Energy: 0.5084991526842982
Energy: 0.335426415628316
Energy: 0.335428786771918
Energy: 0.34120400118043526
Energy: 0.32976996186663393
Energy: 0.32976993533558563
Energy: 0.31933313963760007
Energy: 0.33540510930422784
Energy: 0.3354230151417481
Energy: 0.3056439483942957
Energy: 0.32977087552385415
Energy: 0.3297706304010209
   minimum gb energy = 0.29018220964146285 eV
   minimum distance = 2.58749086160826 Angstroms
   sigma value = 39

========================================
theta = 85.7578072066771
========================================

Energy: 0.3293899763179703
Energy: 0.31504543348173847
Energy: 0.31504363082885867
Energy: 0.48392087748006196
Energy: 0.3131925877376518
Energy: 0.3131862588401539
Energy: 0.39995474467724323
Energy: 0.30852017914475677
Energy: 0.30853056405648954
Energy: 0.2739301739759587
Energy: 0.30853315241601315
Energy: 0.30851970861871386
Energy: 0.2854185234178597
Energy: 0.3179536679909775
Energy: 0.3179450378284842
Energy: 0.2922232441146166
Energy: 0.3229958099298212
Energy: 0.3229908874661542
Energy: 0.48390623868113
Energy: 0.30852018709776363
Energy: 0.3085324825195858
Energy: 0.3179467409427415
Energy: 0.30852666266749595
Energy: 0.308528470020525
Energy: 0.3053595566172995
Energy: 0.2958999981522711
Energy: 0.2959028594350988
Energy: 0.46375421385475224
Energy: 0.3085221863295909
Energy: 0.30852009596290914
   minimum gb energy = 0.2739301739759587 eV
   minimum distance = 2.58623557094793 Angstroms
   sigma value = 91

========================================
theta = 86.05013197823605
========================================

Energy: 0.3172748495654864
Energy: 0.2971512515413814
Energy: 0.29715386799241045
Energy: 0.46213322617114205
Energy: 0.29859278635996783
Energy: 0.29859542353453133
Energy: 0.27702545998570116
Energy: 0.3028196217203947
Energy: 0.3028140278060114
Energy: 0.2714852163408775
Energy: 0.3071257002341657
Energy: 0.30712286794573923
Energy: 0.2670524647147593
Energy: 0.2985909630488188
Energy: 0.2985904972893541
Energy: 0.35173775014074365
Energy: 0.283565192645283
Energy: 0.2835654908589107
Energy: 0.28346507920295755
Energy: 0.29070397644712814
Energy: 0.29070390071417695
Energy: 0.3071170266757899
Energy: 0.30280178893987475
Energy: 0.3028123897433364
Energy: 0.2907030811607553
Energy: 0.30712130438109797
Energy: 0.3071131003855003
Energy: 0.2834688229902255
Energy: 0.5222331321149617
Energy: 0.5222309456124695
   minimum gb energy = 0.2670524647147593 eV
   minimum distance = 2.55928315481746 Angstroms
   sigma value = 105

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

Energy: 0.009338024699846454
Energy: 0.009338024700881143
Energy: 0.00933802469881176
Energy: 0.009338024699846454
Energy: 0.1886056385134796
Energy: 0.18860563850832565
Energy: 0.00933802469881176
Energy: 0.1886056385076424
Energy: 0.18860563850867706
Energy: 0.00933802469951457
Energy: 0.18860563851279633
Energy: 0.18860563850832565
Energy: 0.009338024698479878
Energy: 0.18860563850832565
Energy: 0.18860563851176163
Energy: 0.009338024699163167
Energy: 0.18860563850900894
Energy: 0.18860563851381149
Energy: 0.00933802469881176
Energy: 0.18860563850797427
Energy: 0.1886056385076424
Energy: 0.009338024699163167
Energy: 0.009338024700529739
Energy: 0.009338024698479878
Energy: 0.009338024698128474
Energy: 0.18860563850729098
Energy: 0.18860563850900894
Energy: 0.00933802469951457
Energy: 0.1886056385066077
Energy: 0.18860563850797427
   minimum gb energy = 0.009338024698128474 eV
   minimum distance = 2.86086222582441 Angstroms
   sigma value = 1