model_name=EAM_Dynamo_LandaWynblattSiegel_2000_AlPb__MO_699137396381_005
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=4.031036108732224
cohesive_energy=3.3595443185119036
mass=26.981538


Isolated atom energy: 0.0 eV

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

Energy: 0.01042131024089104
Energy: 0.010421310242880734
Energy: 0.010421310244337975
Energy: 0.010421310242376303
Energy: 0.01042131024335714
Energy: 0.01042131024386157
Energy: 0.010421310242880734
Energy: 0.010421310242880734
Energy: 0.01042131024335714
Energy: 0.010421310242376303
Energy: 0.010421310241871875
Energy: 0.01042131024089104
Energy: 0.010421310242880734
Energy: 0.010421310239910204
Energy: 0.010421310239910204
Energy: 0.25774460966723695
Energy: 0.01042131024139547
Energy: 0.010421310241871875
Energy: 0.01042131024335714
Energy: 0.010421310242376303
Energy: 0.01042131024139547
Energy: 0.010421310242376303
Energy: 0.010421310244337975
Energy: 0.010421310242376303
Energy: 0.01042131024335714
Energy: 0.010421310242376303
Energy: 0.01042131024335714
Energy: 0.010421310242376303
Energy: 0.010421310242376303
Energy: 0.01042131024386157
   minimum gb energy = 0.010421310239910204 eV
   minimum distance = 2.85027455195817 Angstroms
   sigma value = 1

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

Energy: 0.4202970823528204
Energy: 0.382828845942212
Energy: 0.3828284475091941
Energy: 0.37613336612820614
Energy: 0.38282340265077897
Energy: 0.38282285338294003
Energy: 0.37753919578994083
Energy: 0.43049659092141074
Energy: 0.43049632360317863
Energy: 0.3907347251030972
Energy: 0.37051854926895744
Energy: 0.37051850797580266
Energy: 0.3947458526373025
Energy: 0.383170970399754
Energy: 0.38317105736209317
Energy: 0.3585184065192637
Energy: 0.3925344885527761
Energy: 0.3925345816347981
Energy: 0.38488313189837514
Energy: 0.3831712602704101
Energy: 0.3831710531684193
Energy: 0.39151685371867745
Energy: 0.41655684955984423
Energy: 0.41655682084085105
Energy: 0.3867059170264022
Energy: 0.4464424956561126
Energy: 0.44644255785246706
Energy: 0.4145379762557421
Energy: 0.4000580946005885
Energy: 0.40005781817513025
   minimum gb energy = 0.3585184065192637 eV
   minimum distance = 2.59342854999185 Angstroms
   sigma value = 113

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

Energy: 0.4330947459170404
Energy: 0.3993603043155666
Energy: 0.39936045325069275
Energy: 0.3664908170254144
Energy: 0.4019824557698881
Energy: 0.40198178236803006
Energy: 0.3841999642286017
Energy: 0.3997781487287293
Energy: 0.39977875816609826
Energy: 0.4025952342691314
Energy: 0.402408957642401
Energy: 0.4024105015627375
Energy: 0.37527271244179705
Energy: 0.3993545262324499
Energy: 0.39935452619453016
Energy: 0.42278317153862727
Energy: 0.4024090901077916
Energy: 0.40240871389260763
Energy: 0.3704377822461523
Energy: 0.39977827797493254
Energy: 0.39977878877144296
Energy: 0.37879664816497216
Energy: 0.4024087801328581
Energy: 0.4024086997509927
Energy: 0.3831386852925376
Energy: 0.39977844216125025
Energy: 0.39977812630220333
Energy: 0.37901509385053833
Energy: 0.4130432837021994
Energy: 0.41304323118874664
   minimum gb energy = 0.3664908170254144 eV
   minimum distance = 2.63932180961061 Angstroms
   sigma value = 197

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

Energy: 0.4466520492800987
Energy: 0.40743241150278464
Energy: 0.4074328017942105
Energy: 0.39738654873682294
Energy: 0.40741566299310794
Energy: 0.4074156665186327
Energy: 0.41984574323906093
Energy: 0.3972331496301437
Energy: 0.39723260425122053
Energy: 0.3970002630874691
Energy: 0.4915994850323978
Energy: 0.49159956928617426
Energy: 0.40785117593619197
Energy: 0.4146977991168744
Energy: 0.41469736631027043
Energy: 0.3807378670848819
Energy: 0.4188150075449613
Energy: 0.4188141295412798
Energy: 0.3966330763661709
Energy: 0.4019964759690562
Energy: 0.4019994881968844
Energy: 0.4078581310412185
Energy: 0.4963422261273951
Energy: 0.4963418867010817
Energy: 0.4493089443391832
Energy: 0.4019970367761996
Energy: 0.4019999585450072
Energy: 0.39193444371878716
Energy: 0.41881507490570424
Energy: 0.41881454321380107
   minimum gb energy = 0.3807378670848819 eV
   minimum distance = 2.63957584646943 Angstroms
   sigma value = 169

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

Energy: 0.4608611572111973
Energy: 0.42655242114467035
Energy: 0.4265523686641954
Energy: 0.4127979075193709
Energy: 0.47226692214072324
Energy: 0.47226692973496853
Energy: 0.44529559028418
Energy: 0.42255660730276795
Energy: 0.422556476825022
Energy: 0.41109703637911504
Energy: 0.4279059711386808
Energy: 0.4279091636296249
Energy: 0.4262677046338486
Energy: 0.4802469780858652
Energy: 0.4802468373850059
Energy: 0.44747484273112936
Energy: 0.43122154652625566
Energy: 0.4312217635842665
Energy: 0.4262679965701981
Energy: 0.5170387776486822
Energy: 0.5170368835467128
Energy: 0.4042910947542075
Energy: 0.4272018416569383
Energy: 0.42720244563316184
Energy: 0.4223283833570923
Energy: 0.4188796001876746
Energy: 0.4188795781943066
Energy: 0.41912288734759623
Energy: 0.4446691929994643
Energy: 0.44466822204599854
   minimum gb energy = 0.4042910947542075 eV
   minimum distance = 2.59574933293523 Angstroms
   sigma value = 145

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

Energy: 0.47584989711439935
Energy: 0.4493744558020881
Energy: 0.44937425023512856
Energy: 0.44790002264377116
Energy: 0.48527372368923094
Energy: 0.4852739004345165
Energy: 0.43168305660952716
Energy: 0.43722535813813007
Energy: 0.4372253577658777
Energy: 0.42921699827169796
Energy: 0.505426845179432
Energy: 0.5054272264557034
Energy: 0.48475825439738734
Energy: 0.45297772248777934
Energy: 0.45297688981083795
Energy: 0.4067680373126382
Energy: 0.4493597552792782
Energy: 0.4493596305408826
Energy: 0.4552772425500533
Energy: 0.4350824286443635
Energy: 0.4350823941113145
Energy: 0.44254890511841183
Energy: 0.47342676605166956
Energy: 0.4734274433416833
Energy: 0.41828988888224333
Energy: 0.4363370206616485
Energy: 0.4363370743021665
Energy: 0.4425473148196487
Energy: 0.434764812113436
Energy: 0.4347646962630641
   minimum gb energy = 0.4067680373126382 eV
   minimum distance = 2.58593329272243 Angstroms
   sigma value = 61

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

Energy: 0.4954769223120007
Energy: 0.45834000795238167
Energy: 0.4583396205291319
Energy: 0.43598660528221317
Energy: 0.45940977923714993
Energy: 0.4594100976472304
Energy: 0.4509897310592106
Energy: 0.5152966276050464
Energy: 0.5152960936855523
Energy: 0.43508926075631965
Energy: 0.5017184612507083
Energy: 0.5017184433160343
Energy: 0.4515174654506386
Energy: 0.4720657397863162
Energy: 0.472066275130857
Energy: 0.45151755657406245
Energy: 0.48085034173237357
Energy: 0.4808503424893007
Energy: 0.44950765543642746
Energy: 0.48085034993688297
Energy: 0.4808503429926101
Energy: 0.45294085400697354
Energy: 0.4720658092694224
Energy: 0.4720657376543564
Energy: 0.4509897544866312
Energy: 0.5431722383576811
Energy: 0.5431714032691185
Energy: 0.4662388427745139
Energy: 0.4583395629326442
Energy: 0.458339506936342
   minimum gb energy = 0.43508926075631965 eV
   minimum distance = 2.61850326989205 Angstroms
   sigma value = 101

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

Energy: 0.4853200119437108
Energy: 0.48093169380524814
Energy: 0.480930357882864
Energy: 0.4717517373204372
Energy: 0.4817002293725935
Energy: 0.48170053223504894
Energy: 0.44690173874611827
Energy: 0.48170049504455
Energy: 0.48170047857341647
Energy: 0.4401552093840565
Energy: 0.48170006914944286
Energy: 0.481700495167596
Energy: 0.45263506130520276
Energy: 0.4808903314231455
Energy: 0.48089105084970984
Energy: 0.4446203315072403
Energy: 0.48089032170998675
Energy: 0.4808907922139556
Energy: 0.48755181174088785
Energy: 0.48170052231229094
Energy: 0.48170048982185293
Energy: 0.44881944713709376
Energy: 0.48170048871013094
Energy: 0.48170034235572756
Energy: 0.4717516655511345
Energy: 0.48170033861062267
Energy: 0.48170048007497407
Energy: 0.46877306294975457
Energy: 0.48093077957499636
Energy: 0.480930714969844
   minimum gb energy = 0.4401552093840565 eV
   minimum distance = 2.61804202929072 Angstroms
   sigma value = 81

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

Energy: 0.50222254275634
Energy: 0.502909879748625
Energy: 0.5029096284905571
Energy: 0.48579965500130284
Energy: 0.47069113627917103
Energy: 0.47069149077860634
Energy: 0.5372716514052899
Energy: 0.47605142635401193
Energy: 0.4760515742355683
Energy: 0.5538247822539842
Energy: 0.4701068207939669
Energy: 0.4701068417064057
Energy: 0.496294193769504
Energy: 0.49645278118059005
Energy: 0.49645344578750866
Energy: 0.4962917208246428
Energy: 0.49645291426220595
Energy: 0.49645311763792876
Energy: 0.5538247476331035
Energy: 0.47653530075547096
Energy: 0.47653529222149826
Energy: 0.5023852675242578
Energy: 0.47605153895734703
Energy: 0.4760511468425563
Energy: 0.4857996069642648
Energy: 0.47069134997079687
Energy: 0.4706910815475131
Energy: 0.5137159524075571
Energy: 0.4979706421256827
Energy: 0.49797041496534333
   minimum gb energy = 0.4701068207939669 eV
   minimum distance = 2.5834240523577 Angstroms
   sigma value = 1

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

Energy: 0.5232586376856472
Energy: 0.5202567415712909
Energy: 0.5202563636784119
Energy: 0.5215603193577028
Energy: 0.4858897104179732
Energy: 0.48589064708930874
Energy: 0.49004668558537673
Energy: 0.5183095079413781
Energy: 0.5183095618928854
Energy: 0.4931986346310349
Energy: 0.5201533061647327
Energy: 0.5201536470478659
Energy: 0.494946716430949
Energy: 0.5412363449645752
Energy: 0.5412369331330009
Energy: 0.5033340817512933
Energy: 0.5100535575545362
Energy: 0.5100542567144206
Energy: 0.5043052796619447
Energy: 0.5205212379429934
Energy: 0.5205216102437599
Energy: 0.49788270649457067
Energy: 0.5521170386260063
Energy: 0.5521160059066138
Energy: 0.4674257899781416
Energy: 0.5300483370119522
Energy: 0.530046574521983
Energy: 0.5147338477887224
Energy: 0.5235220379624191
Energy: 0.5235247354723301
   minimum gb energy = 0.4674257899781416 eV
   minimum distance = 2.52414804694395 Angstroms
   sigma value = 229

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

Energy: 0.5432104633760232
Energy: 0.5249531894364128
Energy: 0.5249530299171123
Energy: 0.5857404439973892
Energy: 0.5000820770088165
Energy: 0.5000815187041212
Energy: 0.5453767784489673
Energy: 0.5097653535790052
Energy: 0.5097653104134157
Energy: 0.4873443491191507
Energy: 0.5265018431551874
Energy: 0.5265023542316595
Energy: 0.4902690955805539
Energy: 0.5232997461747388
Energy: 0.5232999773239041
Energy: 0.476807811678806
Energy: 0.5248104293085852
Energy: 0.524810533090221
Energy: 0.48651063323746574
Energy: 0.5907066702804917
Energy: 0.5907066007143623
Energy: 0.4672360688695636
Energy: 0.5265025733100119
Energy: 0.5265018674843189
Energy: 0.4981688007080372
Energy: 0.5120181388345955
Energy: 0.512017771557479
Energy: 0.4957921125195847
Energy: 0.5249531645537369
Energy: 0.5249530498035895
   minimum gb energy = 0.4672360688695636 eV
   minimum distance = 2.59177083462275 Angstroms
   sigma value = 25

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

Energy: 0.5669115506405921
Energy: 0.527779914762093
Energy: 0.5277870030024351
Energy: 0.48034441706832454
Energy: 0.5449868758970408
Energy: 0.5449895989829272
Energy: 0.49459582433059196
Energy: 0.5545373185776346
Energy: 0.5545369472202925
Energy: 0.4927340370248923
Energy: 0.5206655452056155
Energy: 0.520662981717008
Energy: 0.5229849873923567
Energy: 0.5277840737814465
Energy: 0.5277814195402113
Energy: 0.5206712875686287
Energy: 0.5243790902469706
Energy: 0.524376485559078
Energy: 0.5267641693171431
Energy: 0.5147117926088999
Energy: 0.5147097597353102
Energy: 0.5146825919474357
Energy: 0.513682776720738
Energy: 0.5136832781244045
Energy: 0.5083341138265457
Energy: 0.5696413001234198
Energy: 0.5696411308347724
Energy: 0.5032728405357584
Energy: 0.5429369428278014
Energy: 0.5429360310676665
   minimum gb energy = 0.48034441706832454 eV
   minimum distance = 2.57877433753703 Angstroms
   sigma value = 173

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

Energy: 0.5369617105605146
Energy: 0.5590246706504848
Energy: 0.5590246737749252
Energy: 0.5259343585183857
Energy: 0.5109501922376196
Energy: 0.5109501105500664
Energy: 0.5598731080335683
Energy: 0.5797057396665989
Energy: 0.5797056960096099
Energy: 0.5477483096963506
Energy: 0.5615106875266093
Energy: 0.561509086529788
Energy: 0.5109503528513983
Energy: 0.5462642090476492
Energy: 0.5462645370606114
Energy: 0.5120783918370219
Energy: 0.508806088036364
Energy: 0.5088060929422578
Energy: 0.5641154933199982
Energy: 0.5427765537523226
Energy: 0.5427761637588446
Energy: 0.5008876870394061
Energy: 0.5589008219273216
Energy: 0.5589008219816116
Energy: 0.5328607405693732
Energy: 0.5120782852585455
Energy: 0.5120783761094835
Energy: 0.5201457888486308
Energy: 0.5132850685425451
Energy: 0.5132850155592641
   minimum gb energy = 0.5008876870394061 eV
   minimum distance = 2.57062035446869 Angstroms
   sigma value = 9

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

Energy: 0.5888834747766667
Energy: 0.5774445176485788
Energy: 0.5774455480818177
Energy: 0.5269720320552886
Energy: 0.6905532421971543
Energy: 0.6905530063381012
Energy: 0.5499687771866192
Energy: 0.5341268782307081
Energy: 0.5341216690213973
Energy: 0.5620371100959414
Energy: 0.5681583787143994
Energy: 0.5681581581246933
Energy: 0.5327016921724586
Energy: 0.5341232649212412
Energy: 0.5341224198657974
Energy: 0.5486294952289175
Energy: 0.5573062288695564
Energy: 0.5573061386438168
Energy: 0.5236686434714128
Energy: 0.5312648606824442
Energy: 0.5312648676155496
Energy: 0.562836976340188
Energy: 0.5235229245618134
Energy: 0.5235240899348022
Energy: 0.5426785751106222
Energy: 0.524657998194716
Energy: 0.5246592480949758
Energy: 0.5647150041325956
Energy: 0.535388942854433
Energy: 0.5353889468869605
   minimum gb energy = 0.5235229245618134 eV
   minimum distance = 2.5209609600971 Angstroms
   sigma value = 31

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

Energy: 0.5505471495776023
Energy: 0.5295618491940196
Energy: 0.5295618558749862
Energy: 0.5149346464867213
Energy: 0.5271475381594919
Energy: 0.5271474390742784
Energy: 0.5939281311946877
Energy: 0.612410692094371
Energy: 0.6124106786135064
Energy: 0.5646116037645705
Energy: 0.5153816346495128
Energy: 0.5153813023318625
Energy: 0.5457502832455241
Energy: 0.5629564306511045
Energy: 0.562956603273378
Energy: 0.5105115922454977
Energy: 0.5271474396544071
Energy: 0.5271474720981763
Energy: 0.485247924188663
Energy: 0.5295618460874985
Energy: 0.529561857042938
Energy: 0.48524792421381246
Energy: 0.5105115983173388
Energy: 0.5105115922725597
Energy: 0.5404668010750954
Energy: 0.5632611770414884
Energy: 0.5632611218563169
Energy: 0.5404668041777255
Energy: 0.5632611971984831
Energy: 0.563261168502237
   minimum gb energy = 0.485247924188663 eV
   minimum distance = 2.53863879817951 Angstroms
   sigma value = 25

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

Energy: 0.584820702868883
Energy: 0.566679842530745
Energy: 0.5666786163053814
Energy: 0.5711521030972398
Energy: 0.538470935359375
Energy: 0.5384672690824934
Energy: 0.5963217689075581
Energy: 0.5318364531662101
Energy: 0.531836414458697
Energy: 0.5483939811952262
Energy: 0.5666813428476005
Energy: 0.5666807601716892
Energy: 0.5440970870485208
Energy: 0.5474066174333213
Energy: 0.5474064204211753
Energy: 0.5820229141673617
Energy: 0.5427867598334607
Energy: 0.5427776395889882
Energy: 0.5242885422941783
Energy: 0.566682218259915
Energy: 0.566684001812544
Energy: 0.5655039033029554
Energy: 0.5407757755786425
Energy: 0.5381334606073626
Energy: 0.5631183062493254
Energy: 0.5422597191938184
Energy: 0.5422630826310153
Energy: 0.5051704847524017
Energy: 0.5666823434348219
Energy: 0.5666785296097229
   minimum gb energy = 0.5051704847524017 eV
   minimum distance = 2.5057057592621 Angstroms
   sigma value = 205

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

Energy: 0.5823319773587948
Energy: 0.5736644379025309
Energy: 0.5736643762593702
Energy: 0.5432861302745644
Energy: 0.6353553544289288
Energy: 0.6353541849055638
Energy: 0.5434583208258522
Energy: 0.5836629879595626
Energy: 0.5836615939754206
Energy: 0.5485422988752411
Energy: 0.5310095670691486
Energy: 0.5310079121172306
Energy: 0.5569942507232891
Energy: 0.5334997622971626
Energy: 0.5334995460600289
Energy: 0.6073979069554664
Energy: 0.5629270780262668
Energy: 0.5629272520653172
Energy: 0.5501483916950783
Energy: 0.5343411611441463
Energy: 0.5343422713146158
Energy: 0.5129234243887408
Energy: 0.5343411378815549
Energy: 0.534340789712509
Energy: 0.5687841683163268
Energy: 0.5310225267201412
Energy: 0.5310226309249719
Energy: 0.5511562469474657
Energy: 0.5603165952826633
Energy: 0.5603166230733578
   minimum gb energy = 0.5129234243887408 eV
   minimum distance = 2.50172427601459 Angstroms
   sigma value = 85

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

Energy: 0.5941565889857643
Energy: 0.5492589672432351
Energy: 0.5492598239583134
Energy: 0.5206604605581178
Energy: 0.5509111578390746
Energy: 0.5509129884067018
Energy: 0.5579887732514766
Energy: 0.5496077306772161
Energy: 0.5496104352767659
Energy: 0.5627516158017044
Energy: 0.5700463079979105
Energy: 0.5700463071812782
Energy: 0.5600766114203509
Energy: 0.5843194427764536
Energy: 0.5843193854044028
Energy: 0.557423990526196
Energy: 0.5717137492406814
Energy: 0.5717137218821747
Energy: 0.585883384938711
Energy: 0.5500153264343417
Energy: 0.550015292942137
Energy: 0.5682639765791693
Energy: 0.5837626171659986
Energy: 0.5837482489928948
Energy: 0.5613717287928707
Energy: 0.545589467770567
Energy: 0.5455889436884848
Energy: 0.5010358115898816
Energy: 0.5489964423610039
Energy: 0.5489973309926259
   minimum gb energy = 0.5010358115898816 eV
   minimum distance = 2.50862588293869 Angstroms
   sigma value = 89

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

Energy: 0.5270253613752115
Energy: 0.5801612628121177
Energy: 0.5801612627547257
Energy: 0.6212188339251316
Energy: 0.4885225494157648
Energy: 0.48852255278047346
Energy: 0.6604023712821825
Energy: 0.5801613011965919
Energy: 0.5801612943260734
Energy: 0.4885225490988986
Energy: 0.54883523442895
Energy: 0.5488349717018105
Energy: 0.626390779682941
Energy: 0.5789048366837635
Energy: 0.5789047307575772
Energy: 0.48852254981272436
Energy: 0.5721974375123063
Energy: 0.572203043606071
Energy: 0.5786394946682005
Energy: 0.650750021137047
Energy: 0.6507501911995648
Energy: 0.5419098404707435
Energy: 0.5721937629411232
Energy: 0.5722003894948181
Energy: 0.5432394892838601
Energy: 0.5801613052536213
Energy: 0.5801612628958269
Energy: 0.5053627065108889
Energy: 0.48852256434053043
Energy: 0.4885225490988986
   minimum gb energy = 0.4885225490988986 eV
   minimum distance = 2.61206957033777 Angstroms
   sigma value = 17

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

Energy: 0.6052959660525604
Energy: 0.5525007421217977
Energy: 0.5525008720422074
Energy: 0.5579229602502728
Energy: 0.5872887850116598
Energy: 0.5872908583979841
Energy: 0.5940309405432813
Energy: 0.5661004489446784
Energy: 0.5661021492732858
Energy: 0.574985916735087
Energy: 0.5627365910006865
Energy: 0.5627371277269437
Energy: 0.5804010874840319
Energy: 0.5864239972501346
Energy: 0.5864262133428596
Energy: 0.5916796891122184
Energy: 0.5840768258812744
Energy: 0.5840698528999012
Energy: 0.5666690772077235
Energy: 0.5565836798580348
Energy: 0.5565846000912931
Energy: 0.5522759511063244
Energy: 0.5673114513839659
Energy: 0.5673153168334184
Energy: 0.6088789130431537
Energy: 0.5844856409576834
Energy: 0.5844863727643087
Energy: 0.5427080283707701
Energy: 0.5627370849267932
Energy: 0.5627366393040538
   minimum gb energy = 0.5427080283707701 eV
   minimum distance = 2.5070697820681 Angstroms
   sigma value = 241

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

Energy: 0.5859670028810177
Energy: 0.5790085235318329
Energy: 0.5790090936444875
Energy: 0.5382033695433713
Energy: 0.5848652072068319
Energy: 0.5848652073789211
Energy: 0.6100898430364909
Energy: 0.6212560547408006
Energy: 0.6212560637414499
Energy: 0.5382034923457654
Energy: 0.5790080100407495
Energy: 0.5790090138061452
Energy: 0.5687878015491679
Energy: 0.5790086438743651
Energy: 0.5790091921197104
Energy: 0.6284885332564996
Energy: 0.6243344792417275
Energy: 0.6243349301602783
Energy: 0.5506691723414056
Energy: 0.5473922679587727
Energy: 0.5473923000270108
Energy: 0.538203424255051
Energy: 0.5790078027232834
Energy: 0.5790081495995675
Energy: 0.5687773233098206
Energy: 0.5628371562632657
Energy: 0.5628368806760944
Energy: 0.6139499980136452
Energy: 0.5830812356519967
Energy: 0.5830811412157393
   minimum gb energy = 0.5382033695433713 eV
   minimum distance = 2.50966474124121 Angstroms
   sigma value = 65

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

Energy: 0.5640817030960695
Energy: 0.5583577056806325
Energy: 0.5583575820570396
Energy: 0.5447223478024387
Energy: 0.5250331912013312
Energy: 0.5250321079288982
Energy: 0.5373465056567677
Energy: 0.5779530128253472
Energy: 0.5779524553625651
Energy: 0.5511848213213032
Energy: 0.5143824908857261
Energy: 0.5143826394725448
Energy: 0.671518384861235
Energy: 0.5640809065170898
Energy: 0.5640806074344704
Energy: 0.6346532528457962
Energy: 0.5632428254005539
Energy: 0.5632430154990605
Energy: 0.5373466182001972
Energy: 0.5287886344580798
Energy: 0.5287883310556614
Energy: 0.5383699277157299
Energy: 0.5526528507810955
Energy: 0.5526528080721289
Energy: 0.5640804997817176
Energy: 0.5583588046536794
Energy: 0.5583583483588702
Energy: 0.5010562932642918
Energy: 0.5893089333871738
Energy: 0.5893092442284936
   minimum gb energy = 0.5010562932642918 eV
   minimum distance = 2.55644896808517 Angstroms
   sigma value = 53

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

Energy: 0.5817412003633712
Energy: 0.5381967500559652
Energy: 0.5381969802344488
Energy: 0.6252006410451383
Energy: 0.5872109463438373
Energy: 0.5872115120894975
Energy: 0.5352923840484863
Energy: 0.5618649518696693
Energy: 0.5618651529307886
Energy: 0.531002024937034
Energy: 0.6051447027349717
Energy: 0.6051446913207223
Energy: 0.6789432745591175
Energy: 0.6022469808844279
Energy: 0.6022462072976811
Energy: 0.5310019226560001
Energy: 0.6252403001553551
Energy: 0.625241745678709
Energy: 0.5285902988156993
Energy: 0.5739981377459437
Energy: 0.5739994060835578
Energy: 0.5774493277487086
Energy: 0.5639092023584268
Energy: 0.5639091877265305
Energy: 0.5817412214442192
Energy: 0.5381973804348
Energy: 0.5381970895344295
Energy: 0.642187981940229
Energy: 0.5711171063347265
Energy: 0.5688743489702442
   minimum gb energy = 0.5285902988156993 eV
   minimum distance = 2.53437483780518 Angstroms
   sigma value = 109

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

Energy: 0.58658590712735
Energy: 0.5809552023305294
Energy: 0.5809491873482139
Energy: 0.5415624410183253
Energy: 0.5805691841582018
Energy: 0.5805691802845678
Energy: 0.553719595434159
Energy: 0.560303053452538
Energy: 0.5603031696682513
Energy: 0.5617291070144531
Energy: 0.5772518815444423
Energy: 0.5772507058659984
Energy: 0.6550683266493389
Energy: 0.5865906225381932
Energy: 0.5865826714212754
Energy: 0.5617290799780994
Energy: 0.5772510185573231
Energy: 0.5772503686860408
Energy: 0.5537195948524134
Energy: 0.5603047059710314
Energy: 0.5603030540516895
Energy: 0.5415620725292972
Energy: 0.5805691852785739
Energy: 0.580569180291095
Energy: 0.5866126439174367
Energy: 0.5809488552177109
Energy: 0.5809530483049763
Energy: 0.5415631523630804
Energy: 0.5805691988208488
Energy: 0.5805691807829432
   minimum gb energy = 0.5415620725292972 eV
   minimum distance = 2.50352472756086 Angstroms
   sigma value = 185

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

Energy: 0.4699473592467339
Energy: 0.4699473393257621
Energy: 0.4699473425342047
Energy: 0.572639587812052
Energy: 0.46857283517606607
Energy: 0.4685728359025669
Energy: 0.481796060140258
Energy: 0.5267684835813203
Energy: 0.5267684904877029
Energy: 0.6021271032607834
Energy: 0.46857286618936905
Energy: 0.46857283917336195
Energy: 0.46994734399496924
Energy: 0.4699473591563423
Energy: 0.4699473531572791
Energy: 0.572639588948541
Energy: 0.46857283888648366
Energy: 0.4685728357139141
Energy: 0.48179605949170673
Energy: 0.5267686312051995
Energy: 0.5267684821220802
Energy: 0.6021271054230933
Energy: 0.49706007784567474
Energy: 0.4970600739715597
Energy: 0.4699473386756512
Energy: 0.4699473389765313
Energy: 0.4699473500533009
Energy: 0.5726395880131468
Energy: 0.4970600750285393
Energy: 0.49706007401987495
   minimum gb energy = 0.46857283517606607 eV
   minimum distance = 2.59729577712551 Angstroms
   sigma value = 9

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

Energy: 0.5695850362728352
Energy: 0.5429556557690001
Energy: 0.5429557088809308
Energy: 0.6748158719561917
Energy: 0.5960471495961042
Energy: 0.5960434121370175
Energy: 0.5421433523216403
Energy: 0.5602888461720428
Energy: 0.5602947250081428
Energy: 0.5489449073454845
Energy: 0.5617039464541493
Energy: 0.5617015373693849
Energy: 0.578706715627737
Energy: 0.6113807371995018
Energy: 0.6113820116334191
Energy: 0.5457798010433202
Energy: 0.5577480146022172
Energy: 0.5577486846807358
Energy: 0.6992516026378486
Energy: 0.5776103964781227
Energy: 0.5776101232216029
Energy: 0.5617096765296888
Energy: 0.5840980147959182
Energy: 0.5840979828378894
Energy: 0.6646100318354932
Energy: 0.5532183963629455
Energy: 0.5532187085748861
Energy: 0.5552343254036528
Energy: 0.5421087008084199
Energy: 0.5421074633086249
   minimum gb energy = 0.5421074633086249 eV
   minimum distance = 2.5101225574483 Angstroms
   sigma value = 221

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

Energy: 0.582151907080862
Energy: 0.5553631680917249
Energy: 0.5553682285874508
Energy: 0.5264679077658592
Energy: 0.5548268303992384
Energy: 0.5548265138060477
Energy: 0.5153728054857258
Energy: 0.6028370105513241
Energy: 0.6028377962893677
Energy: 0.5302620912983206
Energy: 0.5868320836237986
Energy: 0.5868316942494779
Energy: 0.5666948580282075
Energy: 0.5821567105586608
Energy: 0.5821413183981294
Energy: 0.6382321390152358
Energy: 0.5729266465005219
Energy: 0.5729147029876523
Energy: 0.6850789484586517
Energy: 0.5153709871864274
Energy: 0.5153709897443769
Energy: 0.6366382089709347
Energy: 0.508686009022279
Energy: 0.5086855640829141
Energy: 0.6436915433827601
Energy: 0.5752209860927714
Energy: 0.5752171658196602
Energy: 0.623547085174293
Energy: 0.5643792947140249
Energy: 0.5643797016485702
   minimum gb energy = 0.5086855640829141 eV
   minimum distance = 2.57632540594372 Angstroms
   sigma value = 137

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

Energy: 0.5147622032196906
Energy: 0.5928813698613837
Energy: 0.5928814099113612
Energy: 0.6809061957809457
Energy: 0.5401639374118856
Energy: 0.5401614335141467
Energy: 0.6065362370355085
Energy: 0.5936242870499524
Energy: 0.5936258740075082
Energy: 0.5292146176628896
Energy: 0.6023395220969289
Energy: 0.6023389302084735
Energy: 0.5973675243877072
Energy: 0.5871135649895883
Energy: 0.5871184268322184
Energy: 0.5292198270313591
Energy: 0.5929034078428878
Energy: 0.5929031128564831
Energy: 0.6913636663320113
Energy: 0.6153997048209356
Energy: 0.6154042700465295
Energy: 0.5292155112386268
Energy: 0.5751098546357911
Energy: 0.5751096221735014
Energy: 0.6404322004993676
Energy: 0.5328847207295011
Energy: 0.5328846872251674
Energy: 0.5292158397131751
Energy: 0.5328839594590713
Energy: 0.5328837803434766
   minimum gb energy = 0.5147622032196906 eV
   minimum distance = 2.57579814850683 Angstroms
   sigma value = 73

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

Energy: 0.5600723282796713
Energy: 0.5646437841878659
Energy: 0.5646437130260865
Energy: 0.5464152804553594
Energy: 0.567079020276075
Energy: 0.5670790305439217
Energy: 0.5557530458286282
Energy: 0.588785158382578
Energy: 0.588785452470016
Energy: 0.5041979393213514
Energy: 0.5646485571749289
Energy: 0.5646415847345515
Energy: 0.5846503111361898
Energy: 0.551561852108946
Energy: 0.5515609152367927
Energy: 0.5211708844377537
Energy: 0.5631622699273219
Energy: 0.5631568826021507
Energy: 0.5183346230976895
Energy: 0.5912148163198351
Energy: 0.5912149496292625
Energy: 0.5530454189035877
Energy: 0.5616444361470458
Energy: 0.5616445132595067
Energy: 0.5419040988264029
Energy: 0.5502879528834471
Energy: 0.5502886033730474
Energy: 0.5570806493672663
Energy: 0.5891222815938407
Energy: 0.5891223365767202
   minimum gb energy = 0.5041979393213514 eV
   minimum distance = 2.5576953099873 Angstroms
   sigma value = 97

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

Energy: 0.5406562657628454
Energy: 0.551279800071373
Energy: 0.5512807067931297
Energy: 0.5396221132517348
Energy: 0.5304284748373816
Energy: 0.5304289260802927
Energy: 0.5684869033573304
Energy: 0.5571816932278458
Energy: 0.5571817092102991
Energy: 0.5308753296651895
Energy: 0.5937529675379991
Energy: 0.5937530422695733
Energy: 0.6707169384514369
Energy: 0.49718911466017557
Energy: 0.4971891536211876
Energy: 0.6010621081277832
Energy: 0.5642374505569393
Energy: 0.564237249268483
Energy: 0.5864538286580585
Energy: 0.5163800634707777
Energy: 0.5163797600714983
Energy: 0.5728089667880236
Energy: 0.5532795780718357
Energy: 0.5532790050535752
Energy: 0.5834301911307033
Energy: 0.5822750390166229
Energy: 0.5822750617434168
Energy: 0.5406701254777929
Energy: 0.5655263901541908
Energy: 0.5655263626275259
   minimum gb energy = 0.49718911466017557 eV
   minimum distance = 2.49876061965526 Angstroms
   sigma value = 7

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

Energy: 0.5150611407566505
Energy: 0.5185867371552578
Energy: 0.518586743350758
Energy: 0.5154427070790146
Energy: 0.5777089039427387
Energy: 0.5777169226974833
Energy: 0.635088691951321
Energy: 0.5702567462728286
Energy: 0.5702562467470013
Energy: 0.5466484114772948
Energy: 0.5964776271681788
Energy: 0.5964777446541446
Energy: 0.5354690933174406
Energy: 0.6412842733381937
Energy: 0.6412839504144552
Energy: 0.5354712940472715
Energy: 0.5724963463865823
Energy: 0.5725041775725749
Energy: 0.564391133122933
Energy: 0.5069965881268611
Energy: 0.5069951973967889
Energy: 0.6793390131270266
Energy: 0.5224191241512215
Energy: 0.5224207093167738
Energy: 0.5643909177504307
Energy: 0.5551901140829951
Energy: 0.5551881184260921
Energy: 0.5400926735702913
Energy: 0.5685116704226121
Energy: 0.5685137183577446
   minimum gb energy = 0.5069951973967889 eV
   minimum distance = 2.49757229739252 Angstroms
   sigma value = 169

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

Energy: 0.5077302188254776
Energy: 0.5170334049441498
Energy: 0.517033642528451
Energy: 0.575547234125539
Energy: 0.502515281063465
Energy: 0.5025175588225372
Energy: 0.5747544974772597
Energy: 0.6264380541583271
Energy: 0.6264380146976277
Energy: 0.5305607395557871
Energy: 0.5825460461444658
Energy: 0.5825451308019058
Energy: 0.5077298562342091
Energy: 0.5735953546616435
Energy: 0.573595384900301
Energy: 0.5995860104446904
Energy: 0.540719702222847
Energy: 0.5407202462045836
Energy: 0.5242108902474649
Energy: 0.554018937257421
Energy: 0.5540196849428847
Energy: 0.5242111939208813
Energy: 0.5451991357774831
Energy: 0.5451992477890532
Energy: 0.6643753788690135
Energy: 0.5484484760987167
Energy: 0.5484476792883869
Energy: 0.5305606456905085
Energy: 0.5781141105878055
Energy: 0.5781193680061681
   minimum gb energy = 0.502515281063465 eV
   minimum distance = 2.49933556245053 Angstroms
   sigma value = 29

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

Energy: 0.5122794333568189
Energy: 0.5205833530270657
Energy: 0.5205851105622602
Energy: 0.5385296277601759
Energy: 0.5532727975878536
Energy: 0.5532726248637581
Energy: 0.6252089447464312
Energy: 0.5286918562690716
Energy: 0.5286927813085633
Energy: 0.5424749073741315
Energy: 0.5672846151874724
Energy: 0.5672808267555353
Energy: 0.5471481517306291
Energy: 0.62204688931908
Energy: 0.6203759302291044
Energy: 0.5789686544329318
Energy: 0.568339709454218
Energy: 0.5683399543444908
Energy: 0.5168662724451176
Energy: 0.5850727574176308
Energy: 0.5850787157952486
Energy: 0.5422767768343252
Energy: 0.6433400949884697
Energy: 0.6433422745025013
Energy: 0.5573746038067504
Energy: 0.5709425437019132
Energy: 0.5709393618804002
Energy: 0.653079408711682
Energy: 0.583259792850219
Energy: 0.5832597915783057
   minimum gb energy = 0.5122794333568189 eV
   minimum distance = 2.50212152166127 Angstroms
   sigma value = 97

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

Energy: 0.5295692261579318
Energy: 0.5191535142758693
Energy: 0.5191536187074209
Energy: 0.5542194934130817
Energy: 0.5477544817787865
Energy: 0.5477495480005133
Energy: 0.581951248866046
Energy: 0.5274963174703687
Energy: 0.527495826512776
Energy: 0.5371746359612247
Energy: 0.5363045135256469
Energy: 0.5363044613194635
Energy: 0.680601609510833
Energy: 0.5258363027149465
Energy: 0.5258322849650506
Energy: 0.6268567764901609
Energy: 0.6022940401420891
Energy: 0.6022992405814505
Energy: 0.5425150444046216
Energy: 0.6018924172531831
Energy: 0.6019015110738327
Energy: 0.5485132787798744
Energy: 0.5195486136482955
Energy: 0.5195485157779646
Energy: 0.5505634379258482
Energy: 0.5898943749508373
Energy: 0.5899010277416679
Energy: 0.5230514314643923
Energy: 0.5927590210243705
Energy: 0.5927622754254991
   minimum gb energy = 0.5191535142758693 eV
   minimum distance = 2.51086695296118 Angstroms
   sigma value = 73

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

Energy: 0.5214920615560501
Energy: 0.5173705207615714
Energy: 0.5173694531641823
Energy: 0.6190737311869715
Energy: 0.5211082427662118
Energy: 0.52110633493019
Energy: 0.5299735102265036
Energy: 0.5436274189312424
Energy: 0.5436274762430805
Energy: 0.6798405266091033
Energy: 0.5216755472428576
Energy: 0.5216787153699208
Energy: 0.5703530084966306
Energy: 0.5453462354475754
Energy: 0.5453418750268866
Energy: 0.5815610219159445
Energy: 0.5195986300186399
Energy: 0.5195958890670465
Energy: 0.5396203016413407
Energy: 0.5609814405127631
Energy: 0.5609818288925645
Energy: 0.5414410940267679
Energy: 0.5234528101731235
Energy: 0.5234511220892728
Energy: 0.5465606655615778
Energy: 0.5171185516813963
Energy: 0.5171114397568498
Energy: 0.5949662829639054
Energy: 0.5352435487682056
Energy: 0.5352395037451215
   minimum gb energy = 0.5171114397568498 eV
   minimum distance = 2.55853649117667 Angstroms
   sigma value = 205

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

Energy: 0.5160151051031752
Energy: 0.5181807028652649
Energy: 0.5181764093555012
Energy: 0.5296422075061454
Energy: 0.5395875541936408
Energy: 0.5395868721533561
Energy: 0.5361773245262599
Energy: 0.5433383713118868
Energy: 0.5433369632607316
Energy: 0.545012863931995
Energy: 0.5629923587841248
Energy: 0.5629922202947865
Energy: 0.5470054804762652
Energy: 0.5590526000354176
Energy: 0.5590536071722336
Energy: 0.5688956160284762
Energy: 0.53917470482426
Energy: 0.5391839877631004
Energy: 0.5960334311056211
Energy: 0.5234464407091761
Energy: 0.5234392706739898
Energy: 0.6217790295272344
Energy: 0.512046572292634
Energy: 0.5120377772752647
Energy: 0.5801989476979872
Energy: 0.5102219561827825
Energy: 0.51022531618688
Energy: 0.6014279139442308
Energy: 0.525726951074131
Energy: 0.5257253232056407
   minimum gb energy = 0.5102219561827825 eV
   minimum distance = 2.56505273633949 Angstroms
   sigma value = 137

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

Energy: 0.47256168186442127
Energy: 0.4999816033519592
Energy: 0.4999816023995024
Energy: 0.6040605780284657
Energy: 0.4725616818384034
Energy: 0.47256168184258934
Energy: 0.5788972722372323
Energy: 0.47285975466909175
Energy: 0.47285975597143526
Energy: 0.47256168184015795
Energy: 0.4526680638529972
Energy: 0.45266806180786834
Energy: 0.4725616825589309
Energy: 0.4725616818456724
Energy: 0.472561681837075
Energy: 0.5495983330643731
Energy: 0.47285975542135195
Energy: 0.47285975467460617
Energy: 0.5416007623548375
Energy: 0.48805437995618195
Energy: 0.4880543904733613
Energy: 0.5495983377614121
Energy: 0.4725616819076338
Energy: 0.4725616818388546
Energy: 0.54959860239025
Energy: 0.4725616818483293
Energy: 0.47256168184193764
Energy: 0.5173156320307857
Energy: 0.4880543779707836
Energy: 0.48805438437672544
   minimum gb energy = 0.45266806180786834 eV
   minimum distance = 2.60985833636608 Angstroms
   sigma value = 5

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

Energy: 0.4936996085908775
Energy: 0.5072261074028332
Energy: 0.5072340830823574
Energy: 0.4882294328539558
Energy: 0.5411862625046779
Energy: 0.5411787911122454
Energy: 0.4916240161865069
Energy: 0.5414974513619911
Energy: 0.5414985216587963
Energy: 0.4863931223179754
Energy: 0.5328844436303743
Energy: 0.5328893998086481
Energy: 0.5692223404193599
Energy: 0.5107783611961387
Energy: 0.5107760125313925
Energy: 0.5695955599472985
Energy: 0.4852976630114642
Energy: 0.4852933252419511
Energy: 0.5193005101708739
Energy: 0.49041186213967736
Energy: 0.49039998999014534
Energy: 0.4960221285488022
Energy: 0.5106475643067445
Energy: 0.5106346823389012
Energy: 0.5152944619179829
Energy: 0.528712873757273
Energy: 0.5287071459054598
Energy: 0.5217571999229278
Energy: 0.5943253052945444
Energy: 0.5943386083915108
   minimum gb energy = 0.4852933252419511 eV
   minimum distance = 2.57826962723603 Angstroms
   sigma value = 289

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

Energy: 0.4896931887398307
Energy: 0.5104191466268841
Energy: 0.5104197024189723
Energy: 0.4815773183104239
Energy: 0.5189490805754362
Energy: 0.5189524097751296
Energy: 0.5321970168351082
Energy: 0.4827697603194816
Energy: 0.4827719746544374
Energy: 0.5119190581358227
Energy: 0.5355807749909383
Energy: 0.5355807749328133
Energy: 0.4936944441760291
Energy: 0.545481260271913
Energy: 0.5454739067906591
Energy: 0.5392083349071374
Energy: 0.5049264628901151
Energy: 0.5049230493339645
Energy: 0.49100918584766795
Energy: 0.5469827960691457
Energy: 0.5469831156422359
Energy: 0.5078283067903775
Energy: 0.6018895743808634
Energy: 0.6020687741187843
Energy: 0.5404681313183871
Energy: 0.4846826076779005
Energy: 0.48468323891090287
Energy: 0.5698761260575873
Energy: 0.48333784673011715
Energy: 0.48333948410053984
   minimum gb energy = 0.4815773183104239 eV
   minimum distance = 2.58480412038195 Angstroms
   sigma value = 109

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

Energy: 0.4885463699015654
Energy: 0.511658098928284
Energy: 0.5116603575689725
Energy: 0.5080363020035236
Energy: 0.5097952323275444
Energy: 0.5097952009740704
Energy: 0.48982625944272423
Energy: 0.5113722625627972
Energy: 0.5113710054156968
Energy: 0.4815037972256017
Energy: 0.5152038736275468
Energy: 0.5152034476981272
Energy: 0.48855033660899944
Energy: 0.5238766407467884
Energy: 0.5238768412465521
Energy: 0.5450055292157371
Energy: 0.4781394924375336
Energy: 0.4781393016490778
Energy: 0.4910788977804752
Energy: 0.5155066255827487
Energy: 0.5155048578230994
Energy: 0.48995947913806476
Energy: 0.5525363134296588
Energy: 0.552518948719414
Energy: 0.5488965896730711
Energy: 0.4814946302371396
Energy: 0.4814965585712296
Energy: 0.4863704215322135
Energy: 0.5389770543431694
Energy: 0.5389770599050895
   minimum gb energy = 0.4781393016490778 eV
   minimum distance = 2.53490226574213 Angstroms
   sigma value = 157

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

Energy: 0.4871316149331976
Energy: 0.5130123556657574
Energy: 0.5130136008108548
Energy: 0.48205589290648504
Energy: 0.5442718624868418
Energy: 0.5442718754305028
Energy: 0.47490900325063756
Energy: 0.5288514785516845
Energy: 0.528851475823211
Energy: 0.4820556786424896
Energy: 0.4858467845087134
Energy: 0.48584546067167567
Energy: 0.5408517877061119
Energy: 0.5356414345431927
Energy: 0.5356412640858483
Energy: 0.6095805054348381
Energy: 0.4755334165778129
Energy: 0.475531246693388
Energy: 0.575790191306382
Energy: 0.4749090435765638
Energy: 0.47490896740189775
Energy: 0.4719161811966689
Energy: 0.535641433714314
Energy: 0.5356414341256504
Energy: 0.5040480573013535
Energy: 0.47992714119417695
Energy: 0.47993212262352214
Energy: 0.47965970239731753
Energy: 0.5471724565526882
Energy: 0.5471766568914349
   minimum gb energy = 0.4719161811966689 eV
   minimum distance = 2.58284794957723 Angstroms
   sigma value = 53

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

Energy: 0.4856622403603071
Energy: 0.49582204430423626
Energy: 0.4958221929079526
Energy: 0.6080407295317863
Energy: 0.4762320756776716
Energy: 0.47623799323654475
Energy: 0.4802066013661731
Energy: 0.6333651145465616
Energy: 0.6333766219843405
Energy: 0.6093058522868653
Energy: 0.4777983163579866
Energy: 0.4777999331323734
Energy: 0.5012292021232874
Energy: 0.5767747316332045
Energy: 0.5767740206439311
Energy: 0.6486290243659274
Energy: 0.4871982991217846
Energy: 0.487190818159591
Energy: 0.4970320995652841
Energy: 0.5540773092417244
Energy: 0.5540773529267825
Energy: 0.5686735461647302
Energy: 0.5099082861792937
Energy: 0.5099077293595681
Energy: 0.4922220745227996
Energy: 0.5764202873529666
Energy: 0.5764165860092392
Energy: 0.593989725007578
Energy: 0.47390176926405375
Energy: 0.4739008882217465
   minimum gb energy = 0.4739008882217465 eV
   minimum distance = 2.58600216671795 Angstroms
   sigma value = 1

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

Energy: 0.4891211278778339
Energy: 0.493741039307012
Energy: 0.49373479028169404
Energy: 0.47925847229339863
Energy: 0.47874266668875126
Energy: 0.47874621471940615
Energy: 0.487468229799612
Energy: 0.4807581006791833
Energy: 0.48075829815083715
Energy: 0.4762816188901077
Energy: 0.5585705506003353
Energy: 0.5585729603812393
Energy: 0.5334447694969131
Energy: 0.5028650581813168
Energy: 0.5028694171129945
Energy: 0.4881135820012011
Energy: 0.5607637750493284
Energy: 0.5607696899379192
Energy: 0.4983516725749624
Energy: 0.5140943560878676
Energy: 0.5140939836688351
Energy: 0.4702173998583093
Energy: 0.5615328459664676
Energy: 0.5615273761157102
Energy: 0.4705034924564394
Energy: 0.573243573826702
Energy: 0.573242957140697
Energy: 0.5060273560879902
Energy: 0.4934932673529147
Energy: 0.4934941210228558
   minimum gb energy = 0.4702173998583093 eV
   minimum distance = 2.56995418914612 Angstroms
   sigma value = 3

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

Energy: 0.46995145401151117
Energy: 0.4644570020042715
Energy: 0.4644567828278983
Energy: 0.45373572836669246
Energy: 0.4913952785622665
Energy: 0.4913951694602412
Energy: 0.45373374908728836
Energy: 0.6854996994951235
Energy: 0.6854998229096166
Energy: 0.45067117218605096
Energy: 0.5603521084061951
Energy: 0.5603525745485081
Energy: 0.5146943467263602
Energy: 0.47514293020496534
Energy: 0.4751384827052111
Energy: 0.6122566269748033
Energy: 0.4545740117570891
Energy: 0.45457471625062423
Energy: 0.5080573680594552
Energy: 0.4545743891728165
Energy: 0.45457461545976613
Energy: 0.46995151232750015
Energy: 0.5603527343588077
Energy: 0.5603529167470658
Energy: 0.45373377421103284
Energy: 0.5188998060471213
Energy: 0.5188994983978263
Energy: 0.4537337873896757
Energy: 0.469951466472341
Energy: 0.46995181359502813
   minimum gb energy = 0.45067117218605096 eV
   minimum distance = 2.57639523732154 Angstroms
   sigma value = 17

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

Energy: 0.48006827552559944
Energy: 0.4816378799693518
Energy: 0.481630451131745
Energy: 0.46892354237155065
Energy: 0.5859640360093182
Energy: 0.5859635182284333
Energy: 0.46275661703607923
Energy: 0.5372318404796318
Energy: 0.537235828693884
Energy: 0.5142723873006929
Energy: 0.5838554641508819
Energy: 0.583855478727731
Energy: 0.5345698248231162
Energy: 0.45975813764165224
Energy: 0.45974866003715653
Energy: 0.5280204895870708
Energy: 0.47443079603738664
Energy: 0.47442901454263875
Energy: 0.4744299455713655
Energy: 0.5144092990792658
Energy: 0.5144114934126398
Energy: 0.456255865311949
Energy: 0.5606247918759445
Energy: 0.5606214671153391
Energy: 0.4655996858649498
Energy: 0.5764115337911898
Energy: 0.5764146428798891
Energy: 0.45798622693412283
Energy: 0.578754953074089
Energy: 0.5787635683545279
   minimum gb energy = 0.456255865311949 eV
   minimum distance = 2.57358524142776 Angstroms
   sigma value = 233

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

Energy: 0.47395693276670253
Energy: 0.46943389762667936
Energy: 0.46943631543010284
Energy: 0.45874841964655544
Energy: 0.51937466069538
Energy: 0.5193767307180316
Energy: 0.494887135220375
Energy: 0.46345625078965025
Energy: 0.46345535589513154
Energy: 0.49141333743439375
Energy: 0.5302503121471871
Energy: 0.53024964103092
Energy: 0.4638140760026248
Energy: 0.5137786243616954
Energy: 0.513775914697265
Energy: 0.4633076018460937
Energy: 0.5703624002465989
Energy: 0.5703652684289517
Energy: 0.4638191675587401
Energy: 0.4684600786595051
Energy: 0.46845715004703825
Energy: 0.5369209507508144
Energy: 0.4759253708517288
Energy: 0.4759260353301809
Energy: 0.46879740658938585
Energy: 0.46508541847826723
Energy: 0.46508519105344737
Energy: 0.4587466063367158
Energy: 0.6211331376944692
Energy: 0.6211303245000874
   minimum gb energy = 0.4587466063367158 eV
   minimum distance = 2.49062348212729 Angstroms
   sigma value = 89

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

Energy: 0.4934076888993391
Energy: 0.4724861245070073
Energy: 0.4724923751103701
Energy: 0.5740957868924693
Energy: 0.48505936678307837
Energy: 0.48505465407093035
Energy: 0.45573502825981255
Energy: 0.6580696324741464
Energy: 0.655844864668202
Energy: 0.5680884060097108
Energy: 0.4499307913297489
Energy: 0.44993129487443695
Energy: 0.4491869518457628
Energy: 0.6225561801033559
Energy: 0.6225573081361006
Energy: 0.5694427731554013
Energy: 0.4907678569656883
Energy: 0.49076365134266725
Energy: 0.45785854940824194
Energy: 0.5840991069863065
Energy: 0.5840991134082035
Energy: 0.5894440989222911
Energy: 0.5053795168322874
Energy: 0.5053795201396808
Energy: 0.4552208088660431
Energy: 0.543059794834658
Energy: 0.5430575826323396
Energy: 0.5776913007579538
Energy: 0.5058924083520293
Energy: 0.5058924461464818
   minimum gb energy = 0.4491869518457628 eV
   minimum distance = 2.49149384760587 Angstroms
   sigma value = 85

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

Energy: 0.486962069847798
Energy: 0.46621935090848626
Energy: 0.46620906735891565
Energy: 0.4502194157559669
Energy: 0.5614919122277258
Energy: 0.5614836938237018
Energy: 0.45610263623452424
Energy: 0.5179461350821767
Energy: 0.5179459763440394
Energy: 0.48826371457126366
Energy: 0.46079985913942684
Energy: 0.4608014897812758
Energy: 0.4497125658483065
Energy: 0.45203279963290627
Energy: 0.4520326539039555
Energy: 0.4553349565959053
Energy: 0.584903942667883
Energy: 0.5849043856249668
Energy: 0.45294840978746576
Energy: 0.4993357097907514
Energy: 0.49933081551142616
Energy: 0.4487098314614506
Energy: 0.5814922660733941
Energy: 0.5814904919520585
Energy: 0.48442325879696657
Energy: 0.48088164065511435
Energy: 0.4808835032895555
Energy: 0.5373921593934373
Energy: 0.500694680540537
Energy: 0.500689053676871
   minimum gb energy = 0.4487098314614506 eV
   minimum distance = 2.50708726193362 Angstroms
   sigma value = 69

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

Energy: 0.41463415123450786
Energy: 0.41463406858296203
Energy: 0.4146340685993463
Energy: 0.4235835535469947
Energy: 0.5627927390723007
Energy: 0.5627926504577828
Energy: 0.41716830739843497
Energy: 0.4295586265923241
Energy: 0.4295586265868523
Energy: 0.42358364192358317
Energy: 0.42955862659369204
Energy: 0.4295586270025215
Energy: 0.4235835313441347
Energy: 0.4295586265827484
Energy: 0.4295586265923241
Energy: 0.5976249572306537
Energy: 0.423583632251051
Energy: 0.42358350620559926
Energy: 0.4235835140787532
Energy: 0.4507106011711861
Energy: 0.450710601173922
Energy: 0.41463483939032186
Energy: 0.4905450401493586
Energy: 0.4905450967462646
Energy: 0.5850615391085944
Energy: 0.4295586269601463
Energy: 0.4295586266223878
Energy: 0.4235835114575501
Energy: 0.42955862659369204
Energy: 0.4295586266087394
   minimum gb energy = 0.41463406858296203 eV
   minimum distance = 2.59866072635386 Angstroms
   sigma value = 13

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

Energy: 0.507290605709944
Energy: 0.44013801063665214
Energy: 0.44013801147259407
Energy: 0.4265023176981191
Energy: 0.5678138941490363
Energy: 0.5678166739116229
Energy: 0.4314586811417234
Energy: 0.49383758827830504
Energy: 0.49383801331494076
Energy: 0.42917338633179997
Energy: 0.5318492021776362
Energy: 0.5318493552726986
Energy: 0.42450068355337683
Energy: 0.4317720946460235
Energy: 0.4317730347038881
Energy: 0.42266046705576293
Energy: 0.5648647773369122
Energy: 0.5648649985418458
Energy: 0.42097923455884073
Energy: 0.4652888181160265
Energy: 0.465286252605519
Energy: 0.5708865937503274
Energy: 0.4685345503386705
Energy: 0.46854389972890276
Energy: 0.5125842602078111
Energy: 0.5020013513644953
Energy: 0.5019971893221625
Energy: 0.5415378071493617
Energy: 0.4628273356656747
Energy: 0.4628288659609402
   minimum gb energy = 0.42097923455884073 eV
   minimum distance = 2.5239441284111 Angstroms
   sigma value = 125

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

Energy: 0.44271312817813957
Energy: 0.4356622532261892
Energy: 0.4356568483099464
Energy: 0.4307416528121217
Energy: 0.43015395796102185
Energy: 0.4301534853690746
Energy: 0.42144848341433055
Energy: 0.4237521334132577
Energy: 0.4237523167136134
Energy: 0.4137935891590179
Energy: 0.5111527350634071
Energy: 0.5111511974403568
Energy: 0.5375225272267264
Energy: 0.41863251867683526
Energy: 0.418632518688553
Energy: 0.4214459921545256
Energy: 0.6252582444465137
Energy: 0.6252593846760471
Energy: 0.41923949648494646
Energy: 0.5132603513619806
Energy: 0.5132603530861484
Energy: 0.5631440924372454
Energy: 0.4224725731061388
Energy: 0.4224720491230015
Energy: 0.4242160983087413
Energy: 0.46535905436710595
Energy: 0.46535684744164363
Energy: 0.4158579897143086
Energy: 0.5142507883024102
Energy: 0.5142509111755079
   minimum gb energy = 0.4137935891590179 eV
   minimum distance = 2.50646694385581 Angstroms
   sigma value = 37

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

Energy: 0.43116928134989074
Energy: 0.4161791538576689
Energy: 0.41617846021087707
Energy: 0.41092408794291674
Energy: 0.4820716247187637
Energy: 0.4820720737592373
Energy: 0.41380268146615795
Energy: 0.4198669919798848
Energy: 0.41986177102117406
Energy: 0.41617472835618735
Energy: 0.4227291202945654
Energy: 0.42273252937523
Energy: 0.4884855991144259
Energy: 0.48966447171830596
Energy: 0.4896647903396384
Energy: 0.4109243296521936
Energy: 0.4198637294368792
Energy: 0.4198613473404781
Energy: 0.419213930317353
Energy: 0.44583816000219806
Energy: 0.4458355215130362
Energy: 0.5569316172415165
Energy: 0.48966447235731203
Energy: 0.4896645299558194
Energy: 0.4143600824459601
Energy: 0.4142618291310375
Energy: 0.41426234818913416
Energy: 0.41921517440760775
Energy: 0.5619014090983648
Energy: 0.5619017074106712
   minimum gb energy = 0.41092408794291674 eV
   minimum distance = 2.52039256295649 Angstroms
   sigma value = 37

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

Energy: 0.5005298306368317
Energy: 0.4119321057330322
Energy: 0.4119435961266973
Energy: 0.4040440662461956
Energy: 0.4129072007394283
Energy: 0.41290470399881246
Energy: 0.4040819975671819
Energy: 0.5701405791593909
Energy: 0.570140428559468
Energy: 0.40556130661231704
Energy: 0.41190555668393286
Energy: 0.41190538242433244
Energy: 0.40126238681982984
Energy: 0.451391172950807
Energy: 0.45138812956686364
Energy: 0.4931610420494593
Energy: 0.5009423306536336
Energy: 0.5009469875432137
Energy: 0.40808789147465946
Energy: 0.5583041342882049
Energy: 0.5583108573117832
Energy: 0.5812954015198621
Energy: 0.40711647591040084
Energy: 0.4071165023798764
Energy: 0.4107330209901306
Energy: 0.494590384515148
Energy: 0.49457867353674
Energy: 0.40408248662184576
Energy: 0.48183887697912503
Energy: 0.4818457700519911
   minimum gb energy = 0.40126238681982984 eV
   minimum distance = 2.56461855399398 Angstroms
   sigma value = 185

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

Energy: 0.48203341443791187
Energy: 0.5416445383250885
Energy: 0.5416445406492119
Energy: 0.40792125886297836
Energy: 0.4765625650988452
Energy: 0.4765598417347449
Energy: 0.47229929729590453
Energy: 0.5064465190886649
Energy: 0.5064466338174253
Energy: 0.4116637814705213
Energy: 0.4983996741352868
Energy: 0.49839966329726837
Energy: 0.4687820784162699
Energy: 0.43704634379756885
Energy: 0.4370464868465683
Energy: 0.4077556634186616
Energy: 0.5887724624235271
Energy: 0.5887724090303519
Energy: 0.4074238553145544
Energy: 0.532821890073753
Energy: 0.5328221173744403
Energy: 0.5745166299051021
Energy: 0.4425129991196765
Energy: 0.44251294072386055
Energy: 0.41014979682312336
Energy: 0.5902652083958551
Energy: 0.5902629458233832
Energy: 0.47229842839158676
Energy: 0.5064465139360418
Energy: 0.5064466674217086
   minimum gb energy = 0.4074238553145544 eV
   minimum distance = 2.4909468079873 Angstroms
   sigma value = 173

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

Energy: 0.39663242631094525
Energy: 0.6245845518572353
Energy: 0.6245817557785378
Energy: 0.3764402826281137
Energy: 0.6519882190120817
Energy: 0.6519882190160275
Energy: 0.3811986370988693
Energy: 0.5135578086063833
Energy: 0.5135578071234272
Energy: 0.3811995077408825
Energy: 0.6064390765971209
Energy: 0.60643683872981
Energy: 0.38119864264217035
Energy: 0.6191839907081504
Energy: 0.6191839907958987
Energy: 0.38119864618685373
Energy: 0.5233914314011908
Energy: 0.5233914312187891
Energy: 0.37644045484919375
Energy: 0.5400777881050135
Energy: 0.5400949171943693
Energy: 0.396631396144616
Energy: 0.5027541067046827
Energy: 0.5027541067007368
Energy: 0.3764405454085569
Energy: 0.6298493252760843
Energy: 0.6298511758663224
Energy: 0.38119926206262306
Energy: 0.5027541067086284
Energy: 0.5027541096439606
   minimum gb energy = 0.3764402826281137 eV
   minimum distance = 2.5324451359364 Angstroms
   sigma value = 25

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

Energy: 0.46538934477558624
Energy: 0.6196601252559601
Energy: 0.6196614737564412
Energy: 0.3826063388170884
Energy: 0.5638395344636493
Energy: 0.5638502967716277
Energy: 0.5208470262420473
Energy: 0.4222187472800765
Energy: 0.42221897801931935
Energy: 0.37765106518423885
Energy: 0.48601198132316964
Energy: 0.48600841031090597
Energy: 0.3875490646202449
Energy: 0.48402840832565003
Energy: 0.4840265149461076
Energy: 0.3958891692204208
Energy: 0.4784449655575991
Energy: 0.47844006209477724
Energy: 0.3798891950985342
Energy: 0.45792496439195257
Energy: 0.4579252796216957
Energy: 0.5919288713922055
Energy: 0.4183415668770311
Energy: 0.4183398917196315
Energy: 0.38179825260204364
Energy: 0.5563878515344888
Energy: 0.5563882894853351
Energy: 0.3831176026855869
Energy: 0.5847448864222762
Energy: 0.5847438216949906
   minimum gb energy = 0.37765106518423885 eV
   minimum distance = 2.55916066679734 Angstroms
   sigma value = 269

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

Energy: 0.4802816407136374
Energy: 0.6054358314470223
Energy: 0.6054352274077149
Energy: 0.37023117158398594
Energy: 0.48333886137428517
Energy: 0.48333880017154535
Energy: 0.4528641557882777
Energy: 0.46956974585702627
Energy: 0.4695697096572894
Energy: 0.3799227385703009
Energy: 0.5220477444705883
Energy: 0.5220529553914857
Energy: 0.37992374039513077
Energy: 0.5980518480447463
Energy: 0.5980510611612785
Energy: 0.37272667817259597
Energy: 0.5310201002971079
Energy: 0.5310204098831535
Energy: 0.4944725028778247
Energy: 0.37063908197775536
Energy: 0.37063989162441147
Energy: 0.48004111051338255
Energy: 0.5220541011128955
Energy: 0.5220562896052282
Energy: 0.3702313463454573
Energy: 0.5110599751555025
Energy: 0.5110614528651166
Energy: 0.3727227206461792
Energy: 0.5724022964374993
Energy: 0.572400357898079
   minimum gb energy = 0.37023117158398594 eV
   minimum distance = 2.5239485627661 Angstroms
   sigma value = 65

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

Energy: 0.5040903046340047
Energy: 0.6009932029229552
Energy: 0.6009942495885141
Energy: 0.4214389126535239
Energy: 0.4395947075212557
Energy: 0.43959472435354635
Energy: 0.37659138128237657
Energy: 0.6016994139843957
Energy: 0.6017035566392309
Energy: 0.5054553610716982
Energy: 0.371873469378802
Energy: 0.3718752069644831
Energy: 0.3749641059020328
Energy: 0.6079433672218878
Energy: 0.6079276196692288
Energy: 0.5500251495853976
Energy: 0.40398969959008024
Energy: 0.40399008840113065
Energy: 0.3736605029385817
Energy: 0.5750519020693189
Energy: 0.5750517818253529
Energy: 0.5640325873192952
Energy: 0.40399008334692554
Energy: 0.40398997956233085
Energy: 0.3736608937942414
Energy: 0.5858428700818118
Energy: 0.5858428765528987
Energy: 0.43183121940978914
Energy: 0.4034448847972306
Energy: 0.4034477753234251
   minimum gb energy = 0.371873469378802 eV
   minimum distance = 2.525846475468 Angstroms
   sigma value = 79

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

Energy: 0.38085690014876
Energy: 0.5673725602770469
Energy: 0.5673722705561606
Energy: 0.35747606141633087
Energy: 0.5276361925203898
Energy: 0.5276342644266854
Energy: 0.45454201898061486
Energy: 0.35989261743198747
Energy: 0.359890541171306
Energy: 0.3598916673841417
Energy: 0.5341092601571662
Energy: 0.5341104069751083
Energy: 0.35989008890409296
Energy: 0.47253076258971033
Energy: 0.47253072056492573
Energy: 0.3499583992672493
Energy: 0.5201144020088457
Energy: 0.5201146293916721
Energy: 0.35747617210345783
Energy: 0.35989150632918276
Energy: 0.3598900920061523
Energy: 0.3808584869772831
Energy: 0.5719909092952695
Energy: 0.5719909656470601
Energy: 0.35747424991440785
Energy: 0.5543426395592105
Energy: 0.5543444707061204
Energy: 0.3476751892672844
Energy: 0.4388831774055133
Energy: 0.4388831082950779
   minimum gb energy = 0.3476751892672844 eV
   minimum distance = 2.52803621177748 Angstroms
   sigma value = 41

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

Energy: 0.4613334096470083
Energy: 0.5625632421696732
Energy: 0.5625631853426253
Energy: 0.34065385241150387
Energy: 0.5636622204421735
Energy: 0.5378660334576109
Energy: 0.33974359108135865
Energy: 0.4503165667995418
Energy: 0.4503203742067382
Energy: 0.5294810719962509
Energy: 0.3911204847989912
Energy: 0.3911268347639479
Energy: 0.44189911285884054
Energy: 0.4474605878301852
Energy: 0.4474631477757438
Energy: 0.35038157351121124
Energy: 0.55700145566191
Energy: 0.5569996141976316
Energy: 0.3470204581322289
Energy: 0.5584463071231823
Energy: 0.5584484918377071
Energy: 0.5221415668712875
Energy: 0.43131246464179845
Energy: 0.43131715122401726
Energy: 0.4302007513383067
Energy: 0.34622671040400715
Energy: 0.34622641420690947
Energy: 0.3388493765525803
Energy: 0.4799264501884472
Energy: 0.47993127357411636
   minimum gb energy = 0.3388493765525803 eV
   minimum distance = 2.52328881111099 Angstroms
   sigma value = 101

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

Energy: 0.4701169816044937
Energy: 0.5322342227152497
Energy: 0.5322345898675472
Energy: 0.4119843983645429
Energy: 0.3345198985846424
Energy: 0.33451989858969444
Energy: 0.3298227431622219
Energy: 0.4456471337847499
Energy: 0.4456471061453846
Energy: 0.3276837633293367
Energy: 0.34177594524602994
Energy: 0.34177784001803385
Energy: 0.3298227320747973
Energy: 0.45568900647262756
Energy: 0.4556894831611016
Energy: 0.32982274419995466
Energy: 0.4054088860064837
Energy: 0.4054105416464786
Energy: 0.3285024889439646
Energy: 0.405409024076493
Energy: 0.40540800543610983
Energy: 0.4697403403685002
Energy: 0.5096446395207856
Energy: 0.5096450634011148
Energy: 0.4617664927473396
Energy: 0.40540992356462124
Energy: 0.4054098542935491
Energy: 0.329822733877568
Energy: 0.5377406981462276
Energy: 0.5379329200685071
   minimum gb energy = 0.3276837633293367 eV
   minimum distance = 2.54723942239207 Angstroms
   sigma value = 15

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

Energy: 0.45838616444970254
Energy: 0.5205959036831503
Energy: 0.520595903577199
Energy: 0.3757344905255705
Energy: 0.3931874403201109
Energy: 0.39318727114138013
Energy: 0.31885963781006577
Energy: 0.5037464465769043
Energy: 0.4913826616103691
Energy: 0.32820514819672486
Energy: 0.43819343105561864
Energy: 0.43819342983683424
Energy: 0.5102868359152887
Energy: 0.3541914751167093
Energy: 0.35419100868406167
Energy: 0.32308130295636706
Energy: 0.5230297147008907
Energy: 0.5230295974550319
Energy: 0.3149464606593903
Energy: 0.4512645643751523
Energy: 0.4512629156417502
Energy: 0.5115328821389996
Energy: 0.3931087172693377
Energy: 0.39310755108621703
Energy: 0.32230732904694115
Energy: 0.518076451756966
Energy: 0.5180764605777437
Energy: 0.3139086008579
Energy: 0.45129808169064295
Energy: 0.45129864070549014
   minimum gb energy = 0.3139086008579 eV
   minimum distance = 2.52621185324385 Angstroms
   sigma value = 145

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

Energy: 0.43270690491756836
Energy: 0.49718845024669994
Energy: 0.4971895194516624
Energy: 0.31395964698636264
Energy: 0.4295019861453615
Energy: 0.42950160649966157
Energy: 0.3065246207828495
Energy: 0.4230642609737184
Energy: 0.4230642901648733
Energy: 0.3607082930905436
Energy: 0.4230182330627825
Energy: 0.42301825202229953
Energy: 0.30652462076042924
Energy: 0.4228193336658619
Energy: 0.42281924067332194
Energy: 0.3065246207417052
Energy: 0.43736430807281906
Energy: 0.4373643670492886
Energy: 0.31395861876563136
Energy: 0.5598627831551362
Energy: 0.5598641377299085
Energy: 0.432511543832141
Energy: 0.4231742458785388
Energy: 0.4231742469463923
Energy: 0.3827644937173683
Energy: 0.4272737728602117
Energy: 0.4272738447184261
Energy: 0.423756082354252
Energy: 0.30571956516546506
Energy: 0.3057195651815142
   minimum gb energy = 0.30571956516546506 eV
   minimum distance = 2.59593106003276 Angstroms
   sigma value = 85

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

Energy: 0.48715867731288093
Energy: 0.4897889303119059
Energy: 0.48978914078098656
Energy: 0.3007309280764384
Energy: 0.5106322629354466
Energy: 0.5131417735818902
Energy: 0.3002870681434759
Energy: 0.48520596854425296
Energy: 0.4852044970316328
Energy: 0.37136631196373426
Energy: 0.49204473490763917
Energy: 0.49204732294199577
Energy: 0.37136556805960613
Energy: 0.392484289295657
Energy: 0.3924850610668969
Energy: 0.29852451265469243
Energy: 0.3768475627402173
Energy: 0.3768483674702098
Energy: 0.31028708998937
Energy: 0.3637682594072274
Energy: 0.3637676272971012
Energy: 0.5277495267009691
Energy: 0.38575233428805633
Energy: 0.3857512975354048
Energy: 0.36515139925980034
Energy: 0.40852853183050897
Energy: 0.40852591100379154
Energy: 0.29514520546361533
Energy: 0.4801026772382067
Energy: 0.4801035088667331
   minimum gb energy = 0.29514520546361533 eV
   minimum distance = 2.50111105863111 Angstroms
   sigma value = 197

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

Energy: 0.4090346908156979
Energy: 0.46901023682112614
Energy: 0.46901021384981817
Energy: 0.3044693023374808
Energy: 0.4685323828246842
Energy: 0.4685329384247294
Energy: 0.2775193392214989
Energy: 0.45267912245121295
Energy: 0.4526786978230421
Energy: 0.2785382991418671
Energy: 0.39091136106654506
Energy: 0.39091358725389824
Energy: 0.34998491355880973
Energy: 0.39091198770648183
Energy: 0.39091166798128824
Energy: 0.27751918823536126
Energy: 0.3474362651180617
Energy: 0.3474362529035756
Energy: 0.3786272371108503
Energy: 0.4745917372733215
Energy: 0.4745915687364775
Energy: 0.4088174958970567
Energy: 0.39767512493725526
Energy: 0.39767524708300195
Energy: 0.3044692292579012
Energy: 0.46076567272585117
Energy: 0.4607656905385599
Energy: 0.2891755570911238
Energy: 0.46853238619541143
Energy: 0.4685324370281073
   minimum gb energy = 0.27751918823536126 eV
   minimum distance = 2.61513939029965 Angstroms
   sigma value = 113

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

Energy: 0.41953418957305955
Energy: 0.44510726879423784
Energy: 0.44510768110273685
Energy: 0.437857337482697
Energy: 0.31834643072561103
Energy: 0.31834715311534695
Energy: 0.2687521919571297
Energy: 0.37467740584883696
Energy: 0.3746781036458092
Energy: 0.26874910705598504
Energy: 0.4462961357798332
Energy: 0.4462956121816262
Energy: 0.261253622886211
Energy: 0.3701703564930915
Energy: 0.3701710956496071
Energy: 0.2749825802174664
Energy: 0.44972226679040556
Energy: 0.44972226672859356
Energy: 0.4043819209573246
Energy: 0.36349831539212485
Energy: 0.36349895232791324
Energy: 0.45471262930402423
Energy: 0.456118881547304
Energy: 0.45611885129603186
Energy: 0.3574522143569232
Energy: 0.4514062127774381
Energy: 0.45140720410258406
Energy: 0.3198414463259702
Energy: 0.3576854740763069
Energy: 0.35768557631872416
   minimum gb energy = 0.261253622886211 eV
   minimum distance = 2.53122207049449 Angstroms
   sigma value = 145

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

Energy: 0.4483241214938934
Energy: 0.42711985980283235
Energy: 0.42712067186553837
Energy: 0.3779646222127188
Energy: 0.4154133113928043
Energy: 0.4154141313011137
Energy: 0.2716374449410983
Energy: 0.3231047862353123
Energy: 0.32310478465006753
Energy: 0.26082419871565626
Energy: 0.42140221543453965
Energy: 0.42140218695225923
Energy: 0.25231583726389356
Energy: 0.42528535590400995
Energy: 0.42528535560865743
Energy: 0.3196175082113648
Energy: 0.34052199794964344
Energy: 0.34052192531623904
Energy: 0.2919651760309329
Energy: 0.428127489939312
Energy: 0.42812749000233513
Energy: 0.4467260069932895
Energy: 0.4265346639548364
Energy: 0.4265346290062639
Energy: 0.4544895931144238
Energy: 0.2954963928929259
Energy: 0.295496386791975
Energy: 0.26350371652684373
Energy: 0.4329126856437608
Energy: 0.43291233264813456
   minimum gb energy = 0.25231583726389356 eV
   minimum distance = 2.62801762251779 Angstroms
   sigma value = 181

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

Energy: 0.42333510069016794
Energy: 0.4061755062688176
Energy: 0.4061755061351722
Energy: 0.33611892764242596
Energy: 0.4516977219012869
Energy: 0.45169772221798193
Energy: 0.24719129573236867
Energy: 0.43614852800435944
Energy: 0.4361484369799599
Energy: 0.24517006108912684
Energy: 0.4044664346743259
Energy: 0.40446826101327227
Energy: 0.24516987105837604
Energy: 0.40201579509708807
Energy: 0.40201602923042895
Energy: 0.2471912175469673
Energy: 0.41076042548966357
Energy: 0.410754819733669
Energy: 0.33611973999851613
Energy: 0.40201572953810694
Energy: 0.402015889872846
Energy: 0.4453176989761048
Energy: 0.3352514121242386
Energy: 0.33525141949433557
Energy: 0.33612090529051364
Energy: 0.40539985862568656
Energy: 0.40539978177278707
Energy: 0.2561737129684498
Energy: 0.36165173945383006
Energy: 0.3616519817913219
   minimum gb energy = 0.24516987105837604 eV
   minimum distance = 2.52577443471187 Angstroms
   sigma value = 55

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

Energy: 0.3852588737113683
Energy: 0.38561535779892214
Energy: 0.38561525961522436
Energy: 0.3041521633067117
Energy: 0.37756056771473206
Energy: 0.37756056773260804
Energy: 0.35240228624883124
Energy: 0.23868003511175645
Energy: 0.2386789394348351
Energy: 0.22736068179871088
Energy: 0.38981830759720354
Energy: 0.38981830767716347
Energy: 0.23898487559039602
Energy: 0.38932200549320223
Energy: 0.38932204453183666
Energy: 0.2323083891125195
Energy: 0.3792463925593064
Energy: 0.3792466864341147
Energy: 0.5153719489035801
Energy: 0.2352057673171816
Energy: 0.2352058910249146
Energy: 0.4282628140153511
Energy: 0.3878895601131735
Energy: 0.3878892216155114
Energy: 0.3042089978162939
Energy: 0.41775420130373586
Energy: 0.4177541992331795
Energy: 0.23200909236557857
Energy: 0.38608516544772165
Energy: 0.3860738535950214
   minimum gb energy = 0.22736068179871088 eV
   minimum distance = 2.62163568186144 Angstroms
   sigma value = 265

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

Energy: 0.4102551556585849
Energy: 0.36842028699763696
Energy: 0.36842028697366147
Energy: 0.42129496604859795
Energy: 0.28339917604242887
Energy: 0.28339862492957174
Energy: 0.22680438873078088
Energy: 0.36486612787427475
Energy: 0.36486596533393967
Energy: 0.2151445179926593
Energy: 0.2673211446384706
Energy: 0.2673208220120671
Energy: 0.22680418210665837
Energy: 0.36988408026885783
Energy: 0.36988399396178934
Energy: 0.22130880616198037
Energy: 0.3526505633240851
Energy: 0.35265246301752395
Energy: 0.28638827218576596
Energy: 0.376548506540627
Energy: 0.37654862967274544
Energy: 0.4080187482367031
Energy: 0.3633760976719079
Energy: 0.3633763300785786
Energy: 0.34545691452382826
Energy: 0.37001306563487923
Energy: 0.37001236256743864
Energy: 0.2238308217416657
Energy: 0.37068859998877834
Energy: 0.37068860008209514
   minimum gb energy = 0.2151445179926593 eV
   minimum distance = 2.61752300815072 Angstroms
   sigma value = 39

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

Energy: 0.39198479180505685
Energy: 0.3553848596165756
Energy: 0.35538485985427354
Energy: 0.27710670742095583
Energy: 0.35593779455659347
Energy: 0.35593778535406057
Energy: 0.2489169133551042
Energy: 0.34350873278650823
Energy: 0.3435086321638281
Energy: 0.2062277002707063
Energy: 0.3385440917566659
Energy: 0.3385461499517218
Energy: 0.21239196399573718
Energy: 0.35759121676905187
Energy: 0.35759120693251706
Energy: 0.21661243869964897
Energy: 0.3906940321860107
Energy: 0.39069457051357814
Energy: 0.2771051644789801
Energy: 0.3502903966974198
Energy: 0.350288322010663
Energy: 0.4261683106983295
Energy: 0.3427380621095213
Energy: 0.34273795347777325
Energy: 0.40098244710922304
Energy: 0.2691052639144454
Energy: 0.269105264105627
Energy: 0.2635328267773066
Energy: 0.33233410364410015
Energy: 0.33234320076110263
   minimum gb energy = 0.2062277002707063 eV
   minimum distance = 2.57966362598739 Angstroms
   sigma value = 91

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

Energy: 0.3758446723328854
Energy: 0.34142045506535135
Energy: 0.34142048228838756
Energy: 0.2688462925528197
Energy: 0.3408826645557761
Energy: 0.34088305675030894
Energy: 0.20781263448952883
Energy: 0.3420069741868106
Energy: 0.34200791192841357
Energy: 0.20452971146322402
Energy: 0.3374238427846597
Energy: 0.33742241380517307
Energy: 0.20198739169583943
Energy: 0.327429541579818
Energy: 0.3274287820374715
Energy: 0.4201729619161007
Energy: 0.25888462616238145
Energy: 0.2588846261911834
Energy: 0.352497063398699
Energy: 0.24032398689314602
Energy: 0.240323986789826
Energy: 0.4078317028035067
Energy: 0.3383796152438377
Energy: 0.3383807360646454
Energy: 0.3144572206165219
Energy: 0.3495186675742132
Energy: 0.34951867256228925
Energy: 0.21227943566155727
Energy: 0.37302921722797483
Energy: 0.3730295765650334
   minimum gb energy = 0.20198739169583943 eV
   minimum distance = 2.63061367261472 Angstroms
   sigma value = 105

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

Energy: 0.011790239989395303
Energy: 0.011790239991495784
Energy: 0.011790239994626693
Energy: 0.011790239997757601
Energy: 0.17639047761227483
Energy: 0.17639047761088775
Energy: 0.011790239989751988
Energy: 0.17639047761471222
Energy: 0.17639047761714954
Energy: 0.011790239997064043
Energy: 0.751327893873733
Energy: 0.751327893869215
Energy: 0.011790239989395303
Energy: 0.751327893869215
Energy: 0.7513278938709588
Energy: 0.011790239989751988
Energy: 0.17639047761540577
Energy: 0.17639047761750626
Energy: 0.011790239996013804
Energy: 0.1763904776133251
Energy: 0.1763904776133251
Energy: 0.011790239990445543
Energy: 0.011790239988008192
Energy: 0.011790239991832653
Energy: 0.01179023999218934
Energy: 0.17639047761506887
Energy: 0.17639047761540577
Energy: 0.011790239991495784
Energy: 0.17639047761227483
Energy: 0.17639047761471222
   minimum gb energy = 0.011790239988008192 eV
   minimum distance = 2.82955583297123 Angstroms
   sigma value = 1