model_name=EAM_Dynamo_MendelevAstaRahman_2009_AlMg__MO_658278549784_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=4.045270472764969
cohesive_energy=3.4109252230537166
mass=26.981538


Isolated atom energy: 0.0 eV

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

Energy: 0.010506307205814568
Energy: 0.010506307207762458
Energy: 0.010506307241544435
Energy: 0.010506307227352666
Energy: 0.010506307225877835
Energy: 0.010506307236646884
Energy: 0.01050630722195423
Energy: 0.4491168684552023
Energy: 0.4491168684561763
Energy: 0.01050630721218695
Energy: 0.010506307209738176
Energy: 0.010506307222956
Energy: 0.01050630722342906
Energy: 0.01050630724251838
Energy: 0.01050630721118518
Energy: 0.4558282441680982
Energy: 0.010506307243019267
Energy: 0.010506307246942874
Energy: 0.01050630724204532
Energy: 0.010506307227352666
Energy: 0.01050630724399321
Energy: 0.01050630724399321
Energy: 0.01050630722148117
Energy: 0.01050630720923729
Energy: 0.010506307209738176
Energy: 0.44911686844983173
Energy: 0.44911686845325444
Energy: 0.010506307247916817
Energy: 0.010506307235172053
Energy: 0.010506307244494098
   minimum gb energy = 0.010506307205814568 eV
   minimum distance = 2.86033589736224 Angstroms
   sigma value = 1

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

Energy: 0.4836195042430346
Energy: 0.4038295784841193
Energy: 0.403830483181406
Energy: 0.39521378412467295
Energy: 0.4037031966078969
Energy: 0.40370319474783933
Energy: 0.39742173876299114
Energy: 0.40704886031348486
Energy: 0.407048821838002
Energy: 0.40513710298009975
Energy: 0.3947355685428031
Energy: 0.39473555319330883
Energy: 0.406683861525703
Energy: 0.4041771993044048
Energy: 0.40417720810112456
Energy: 0.37114979548750515
Energy: 0.40978060849062853
Energy: 0.4097806085723697
Energy: 0.4119254117415562
Energy: 0.404177308684134
Energy: 0.4041769478710185
Energy: 0.405709114329755
Energy: 0.39605838944459565
Energy: 0.3960584195076018
Energy: 0.40187443746055
Energy: 0.4006713747488529
Energy: 0.40067513563886525
Energy: 0.4115321168916154
Energy: 0.4165992338294087
Energy: 0.41659860525781905
   minimum gb energy = 0.37114979548750515 eV
   minimum distance = 2.55107331400789 Angstroms
   sigma value = 113

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

Energy: 0.48893019504715735
Energy: 0.42010252731140124
Energy: 0.42010253310919693
Energy: 0.38895174301729174
Energy: 0.42086981240540505
Energy: 0.4208746671108119
Energy: 0.38877936941486974
Energy: 0.42052733719916385
Energy: 0.42052733733169617
Energy: 0.3992016046679036
Energy: 0.4213159857401984
Energy: 0.4213159860296885
Energy: 0.3787744056149251
Energy: 0.4200928199482715
Energy: 0.42009281997304604
Energy: 0.46736003441312135
Energy: 0.4213148090288228
Energy: 0.42131599585417523
Energy: 0.38346351559429015
Energy: 0.4205273373023855
Energy: 0.4205273373337898
Energy: 0.3787081254097487
Energy: 0.42131760581459743
Energy: 0.4213181618447163
Energy: 0.4266593456805255
Energy: 0.4205273373079685
Energy: 0.4205273372748513
Energy: 0.38753334944674
Energy: 0.4279963976509194
Energy: 0.42799639120407085
   minimum gb energy = 0.3787081254097487 eV
   minimum distance = 2.58940720858004 Angstroms
   sigma value = 197

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

Energy: 0.4934725028774729
Energy: 0.4319150053598698
Energy: 0.43191500938479493
Energy: 0.40350646971255494
Energy: 0.4317206574403935
Energy: 0.4317206435547979
Energy: 0.4345738257809853
Energy: 0.4223877535068612
Energy: 0.42238984990986156
Energy: 0.42203025902500124
Energy: 0.4998824455743816
Energy: 0.49988244556724476
Energy: 0.4503790896367597
Energy: 0.4333869129331716
Energy: 0.43338719268339737
Energy: 0.39415767600932566
Energy: 0.43873271383679163
Energy: 0.43873270691747035
Energy: 0.41541972151156054
Energy: 0.4333883912886105
Energy: 0.4333869137130035
Energy: 0.42690750224762564
Energy: 0.486402823718596
Energy: 0.4864028239074671
Energy: 0.43835465062084256
Energy: 0.42236358201233704
Energy: 0.42236253698833476
Energy: 0.40404504596048507
Energy: 0.43856103211318936
Energy: 0.43855825647005836
   minimum gb energy = 0.39415767600932566 eV
   minimum distance = 2.59078899351676 Angstroms
   sigma value = 169

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

Energy: 0.499807512338631
Energy: 0.4510686671722325
Energy: 0.45106866716287797
Energy: 0.43811110629298267
Energy: 0.5147592384060424
Energy: 0.5147592957207198
Energy: 0.4475432878731016
Energy: 0.448271943881188
Energy: 0.44827194377385104
Energy: 0.44131441708758146
Energy: 0.45106866754462127
Energy: 0.45106866719295674
Energy: 0.44595054266222534
Energy: 0.5176274462730414
Energy: 0.5176253999778471
Energy: 0.47489507160840994
Energy: 0.446620375937312
Energy: 0.44662037682763955
Energy: 0.4440903102962788
Energy: 0.5593742613833858
Energy: 0.5593716932421733
Energy: 0.4061837474160685
Energy: 0.45106866734743617
Energy: 0.4510686673019021
Energy: 0.44547064397750774
Energy: 0.47550886776699597
Energy: 0.4755088001664738
Energy: 0.4408511016250835
Energy: 0.4667471318944993
Energy: 0.4667470576112977
   minimum gb energy = 0.4061837474160685 eV
   minimum distance = 2.5549704978771 Angstroms
   sigma value = 145

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

Energy: 0.5046860300131598
Energy: 0.4732490645544898
Energy: 0.47324906410153295
Energy: 0.453191731902608
Energy: 0.4797774144644364
Energy: 0.4797756514898714
Energy: 0.4394950711215717
Energy: 0.46360167255653284
Energy: 0.46360167176586375
Energy: 0.4226436703484664
Energy: 0.48625225312998566
Energy: 0.48624157856389566
Energy: 0.46778520553879577
Energy: 0.4847750950114435
Energy: 0.4847735654977541
Energy: 0.4209714041975392
Energy: 0.4732293930968831
Energy: 0.4732291937633648
Energy: 0.4677850757497115
Energy: 0.45214395307135147
Energy: 0.45214396394896655
Energy: 0.4677817367682211
Energy: 0.44026432381053066
Energy: 0.4402665986143105
Energy: 0.4257884985596864
Energy: 0.46297610436432435
Energy: 0.4629756996395291
Energy: 0.46290803008198955
Energy: 0.45988317536627826
Energy: 0.45988317519520516
   minimum gb energy = 0.4209714041975392 eV
   minimum distance = 2.53743152219559 Angstroms
   sigma value = 61

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

Energy: 0.4944652229517693
Energy: 0.4880840803516547
Energy: 0.48808399660068774
Energy: 0.4771246986534321
Energy: 0.4928292362309548
Energy: 0.4928294960023785
Energy: 0.466108593511746
Energy: 0.49457812364727743
Energy: 0.4945780571268022
Energy: 0.45953255547681504
Energy: 0.4857327998771127
Energy: 0.48573280035300737
Energy: 0.48313672311456424
Energy: 0.46341804305774315
Energy: 0.46341821582528586
Energy: 0.48313672072530023
Energy: 0.4973546299127677
Energy: 0.4973537783851618
Energy: 0.4416087040953611
Energy: 0.5022659448763994
Energy: 0.502265701487877
Energy: 0.45872523621474004
Energy: 0.4753772554607474
Energy: 0.47537730581409543
Energy: 0.46609557540758506
Energy: 0.5094213796037607
Energy: 0.5103375221594615
Energy: 0.48503899370647624
Energy: 0.4784776160743854
Energy: 0.478477280756858
   minimum gb energy = 0.4416087040953611 eV
   minimum distance = 2.44208435824489 Angstroms
   sigma value = 101

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

Energy: 0.5233139803857071
Energy: 0.5187496570961165
Energy: 0.5187496548228995
Energy: 0.47333344339151245
Energy: 0.5266751446519948
Energy: 0.5266749173885573
Energy: 0.45383176402674724
Energy: 0.5195202215501515
Energy: 0.5195202296002721
Energy: 0.46805408569583995
Energy: 0.5195202312615487
Energy: 0.5195202381288431
Energy: 0.47240092850599413
Energy: 0.5187115255891273
Energy: 0.5187119543811147
Energy: 0.4614188634134887
Energy: 0.518711564371535
Energy: 0.5187115424440918
Energy: 0.48562948804586187
Energy: 0.5195202317026808
Energy: 0.5195202355675038
Energy: 0.4538318275390559
Energy: 0.5195202330785391
Energy: 0.5195202324892649
Energy: 0.47333345678497635
Energy: 0.5195202348884986
Energy: 0.5195202111565043
Energy: 0.5233139786136067
Energy: 0.5266742982558723
Energy: 0.5266740075288022
   minimum gb energy = 0.45383176402674724 eV
   minimum distance = 2.45856870691236 Angstroms
   sigma value = 81

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

Energy: 0.5079792500616068
Energy: 0.5264366813713558
Energy: 0.5264366402094781
Energy: 0.49633676631220747
Energy: 0.4859867877350513
Energy: 0.4859867722898003
Energy: 0.518628551085542
Energy: 0.4988278211949449
Energy: 0.49882772320067925
Energy: 0.5230517038742527
Energy: 0.5090160285882788
Energy: 0.5090160326206692
Energy: 0.4993471029553012
Energy: 0.5007235301737613
Energy: 0.5007235302399475
Energy: 0.49934710287818057
Energy: 0.5007235245171157
Energy: 0.5007235306844197
Energy: 0.5230514741370893
Energy: 0.5007235287966346
Energy: 0.5007235298464747
Energy: 0.5230514825935206
Energy: 0.4959438609175973
Energy: 0.4959438171210821
Energy: 0.49633672736962603
Energy: 0.48598665043206746
Energy: 0.4859868338304131
Energy: 0.5079803567683109
Energy: 0.49771551949348786
Energy: 0.4977154465138936
   minimum gb energy = 0.48598665043206746 eV
   minimum distance = 2.45203341920242 Angstroms
   sigma value = 1

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

Energy: 0.5527059648657642
Energy: 0.516403091736572
Energy: 0.5164033579611995
Energy: 0.5373298409900059
Energy: 0.5095614082121533
Energy: 0.5095616315448307
Energy: 0.5462982051265465
Energy: 0.5084990296117011
Energy: 0.508498747918496
Energy: 0.5035094802690298
Energy: 0.5180737426834102
Energy: 0.5180737863113165
Energy: 0.5174759401337101
Energy: 0.5601441930230796
Energy: 0.5601470871477591
Energy: 0.5092718044664966
Energy: 0.4962545359588385
Energy: 0.4962542895441157
Energy: 0.5109131035315989
Energy: 0.5398295339912521
Energy: 0.5398294508868496
Energy: 0.5165881733303498
Energy: 0.5576021675000292
Energy: 0.5576022024964155
Energy: 0.4913167736043942
Energy: 0.5192171611443447
Energy: 0.5192171765207436
Energy: 0.5415301287138011
Energy: 0.5332352825925707
Energy: 0.5332352825744764
   minimum gb energy = 0.4913167736043942 eV
   minimum distance = 2.43126347935389 Angstroms
   sigma value = 229

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

Energy: 0.5337784777016612
Energy: 0.5304020261154843
Energy: 0.5304020262068784
Energy: 0.5561800750778751
Energy: 0.5054235302311259
Energy: 0.5054237598865825
Energy: 0.5261603041273604
Energy: 0.5304020261508078
Energy: 0.5304020261473446
Energy: 0.4890881842140784
Energy: 0.5304020261625506
Energy: 0.5304020261161767
Energy: 0.5159719674383456
Energy: 0.5758002444450101
Energy: 0.5758034719902146
Energy: 0.4947673527253846
Energy: 0.5285631307740246
Energy: 0.528563128859092
Energy: 0.49746593714526377
Energy: 0.5645471026596486
Energy: 0.5645469295826168
Energy: 0.4982722875467936
Energy: 0.5304021812796722
Energy: 0.5304020261251808
Energy: 0.5261602401287572
Energy: 0.528563123389138
Energy: 0.528563123394679
Energy: 0.5337784629374291
Energy: 0.5304020261383406
Energy: 0.5304020261175619
   minimum gb energy = 0.4890881842140784 eV
   minimum distance = 2.44721385783363 Angstroms
   sigma value = 25

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

Energy: 0.5608131756529644
Energy: 0.5254967890963393
Energy: 0.5254968839754145
Energy: 0.506995294081388
Energy: 0.5285337536682355
Energy: 0.5285335651911524
Energy: 0.5436840394904421
Energy: 0.5562063910175504
Energy: 0.5562081575566536
Energy: 0.5021545759064368
Energy: 0.528532996050682
Energy: 0.5285331970876707
Energy: 0.5261586544003434
Energy: 0.5254970336086331
Energy: 0.5254967756856389
Energy: 0.5345720707429418
Energy: 0.5556044679619143
Energy: 0.5556046500842692
Energy: 0.538715590520251
Energy: 0.5231268240101067
Energy: 0.5231265879531933
Energy: 0.52312669259478
Energy: 0.5336788702008725
Energy: 0.5336793473389054
Energy: 0.5219885288802869
Energy: 0.5417526122746139
Energy: 0.5417529749050677
Energy: 0.5339977594544176
Energy: 0.5710276975016407
Energy: 0.5710276962871913
   minimum gb energy = 0.5021545759064368 eV
   minimum distance = 2.43453999155464 Angstroms
   sigma value = 173

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

Energy: 0.5247607955334235
Energy: 0.5839189384724937
Energy: 0.5846561385796957
Energy: 0.5530443987407269
Energy: 0.5111056475109736
Energy: 0.5111056476260556
Energy: 0.5502148651677015
Energy: 0.5503041089093934
Energy: 0.550303567365996
Energy: 0.5505636596156532
Energy: 0.5785557837942583
Energy: 0.5785556483319514
Energy: 0.5111056474135868
Energy: 0.5530444055291696
Energy: 0.5530444037232124
Energy: 0.5111055682008299
Energy: 0.5141887877610374
Energy: 0.5141889506636389
Energy: 0.5510930175851593
Energy: 0.5494193167869311
Energy: 0.5494193212326175
Energy: 0.5189349750924707
Energy: 0.5453833104424521
Energy: 0.5453833386440734
Energy: 0.5558483957648672
Energy: 0.5111055689661821
Energy: 0.5111056481282512
Energy: 0.5530444030117684
Energy: 0.5453834383887697
Energy: 0.5453833451580871
   minimum gb energy = 0.5111055682008299 eV
   minimum distance = 2.43727093343743 Angstroms
   sigma value = 9

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

Energy: 0.570753683997196
Energy: 0.5681669050493408
Energy: 0.5681668955137215
Energy: 0.5363365384608877
Energy: 0.6613434143136573
Energy: 0.6613436295605296
Energy: 0.5379286838386536
Energy: 0.5345413580446347
Energy: 0.534541290092034
Energy: 0.563004364748604
Energy: 0.558990525538477
Energy: 0.5589902017979218
Energy: 0.5309230500214178
Energy: 0.5345413779092824
Energy: 0.5345413731335976
Energy: 0.5565193386759067
Energy: 0.567205774577365
Energy: 0.5672057059062223
Energy: 0.5280705147260116
Energy: 0.5506460058887401
Energy: 0.5506471919295214
Energy: 0.5619216557171016
Energy: 0.5280701717224311
Energy: 0.5280704131351261
Energy: 0.5587829943037882
Energy: 0.548828050266041
Energy: 0.5488242933654871
Energy: 0.586065384775036
Energy: 0.5309230492407324
Energy: 0.5309230498156338
   minimum gb energy = 0.5280701717224311 eV
   minimum distance = 2.47946619984568 Angstroms
   sigma value = 31

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

Energy: 0.576180370757618
Energy: 0.540625272125467
Energy: 0.540625296608985
Energy: 0.5686047473663504
Energy: 0.5698913397145406
Energy: 0.5698914176620158
Energy: 0.5748434623574245
Energy: 0.576904742211945
Energy: 0.5769047718577197
Energy: 0.5588136686946835
Energy: 0.5309894029282483
Energy: 0.5309908097500609
Energy: 0.5418888347470951
Energy: 0.5777710140357019
Energy: 0.5777709680688844
Energy: 0.5556710255809995
Energy: 0.5698913735893918
Energy: 0.5698913274363048
Energy: 0.52740769207633
Energy: 0.5427551199210152
Energy: 0.5427551133733839
Energy: 0.5274070454944106
Energy: 0.5474758885365237
Energy: 0.5474759029413037
Energy: 0.553780581308902
Energy: 0.5773740630870412
Energy: 0.5773747000673893
Energy: 0.5724163068989282
Energy: 0.5786860537412162
Energy: 0.5786860152340797
   minimum gb energy = 0.5274070454944106 eV
   minimum distance = 2.47681268298329 Angstroms
   sigma value = 25

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

Energy: 0.5771786461842042
Energy: 0.5719155667985032
Energy: 0.5719123039141265
Energy: 0.5717312645998813
Energy: 0.5638011633681175
Energy: 0.5638016137464209
Energy: 0.5703415470074203
Energy: 0.5456439023472616
Energy: 0.545670631562097
Energy: 0.5513897703874817
Energy: 0.5719124488591921
Energy: 0.5719130927416896
Energy: 0.5476351295170462
Energy: 0.5446314837145019
Energy: 0.544631504550705
Energy: 0.5703451398822273
Energy: 0.5602957647065061
Energy: 0.5602963959380751
Energy: 0.5402852486647421
Energy: 0.5719123575382905
Energy: 0.5719118696236444
Energy: 0.5721430272518208
Energy: 0.5465992708216927
Energy: 0.5466028830067736
Energy: 0.5703377584692445
Energy: 0.5602911458453926
Energy: 0.5602907236881777
Energy: 0.5356967067307968
Energy: 0.5719118813438899
Energy: 0.571912934733358
   minimum gb energy = 0.5356967067307968 eV
   minimum distance = 2.45620337752813 Angstroms
   sigma value = 205

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

Energy: 0.6037897450627735
Energy: 0.5775572942319224
Energy: 0.5775564552390696
Energy: 0.5551209950299205
Energy: 0.5844907061515761
Energy: 0.5844907946141739
Energy: 0.6101209165349739
Energy: 0.5728250409678493
Energy: 0.5728270600970153
Energy: 0.5746514284912
Energy: 0.5614531289789221
Energy: 0.5614758200841669
Energy: 0.6003680763612675
Energy: 0.5416560794547018
Energy: 0.5416561473774243
Energy: 0.6000824771139589
Energy: 0.5724869675222848
Energy: 0.5724870000415204
Energy: 0.5634284769529524
Energy: 0.5520891118085363
Energy: 0.5520886391418302
Energy: 0.5448968641331448
Energy: 0.5520894151197993
Energy: 0.5520898987230926
Energy: 0.6006797348632184
Energy: 0.5580929249116799
Energy: 0.5580929095047814
Energy: 0.5980198005000612
Energy: 0.5462902708571891
Energy: 0.5462902001260826
   minimum gb energy = 0.5416560794547018 eV
   minimum distance = 2.47020235625145 Angstroms
   sigma value = 85

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

Energy: 0.5918347471534251
Energy: 0.5645798196282769
Energy: 0.564579687822909
Energy: 0.5408368833189025
Energy: 0.5645799015932372
Energy: 0.5645797152332308
Energy: 0.5642133832018882
Energy: 0.5690364703114154
Energy: 0.5690356030794554
Energy: 0.5408368557863741
Energy: 0.5767513944873475
Energy: 0.5767562185468548
Energy: 0.5620275279688205
Energy: 0.5999609627321805
Energy: 0.599960663276298
Energy: 0.5737180819550101
Energy: 0.5683273488168586
Energy: 0.5683273587615799
Energy: 0.5790115916273781
Energy: 0.5829128506178971
Energy: 0.5829129883065352
Energy: 0.61215664369093
Energy: 0.5877238973457584
Energy: 0.587725117496289
Energy: 0.5958384659617302
Energy: 0.5604999833618387
Energy: 0.560500877691529
Energy: 0.5358079643298321
Energy: 0.5657870634060483
Energy: 0.5657867507944675
   minimum gb energy = 0.5358079643298321 eV
   minimum distance = 2.45490315128927 Angstroms
   sigma value = 89

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

Energy: 0.5401537875922816
Energy: 0.5964821410725494
Energy: 0.5964822422165573
Energy: 0.6603477117092867
Energy: 0.5222465627872913
Energy: 0.5222465633619313
Energy: 0.6440240819952406
Energy: 0.59648209505863
Energy: 0.596482121159106
Energy: 0.5222465630793626
Energy: 0.5641853694283091
Energy: 0.5641838224728583
Energy: 0.5798656119471753
Energy: 0.5947019462240082
Energy: 0.5947019698014777
Energy: 0.5222465592158889
Energy: 0.5709215026046411
Energy: 0.5709194931802565
Energy: 0.586679981155049
Energy: 0.5964822416953426
Energy: 0.5964821532519183
Energy: 0.5222465630437546
Energy: 0.5709205494243684
Energy: 0.5709198360984215
Energy: 0.5947019483278996
Energy: 0.5964820975911395
Energy: 0.5964821030776758
Energy: 0.5284562750342479
Energy: 0.5222465594675741
Energy: 0.5222465632918764
   minimum gb energy = 0.5222465592158889 eV
   minimum distance = 2.60848136064648 Angstroms
   sigma value = 17

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

Energy: 0.6007234324189811
Energy: 0.5774734927328372
Energy: 0.5774737506025701
Energy: 0.5410943053914395
Energy: 0.5600774956447561
Energy: 0.5596697719554504
Energy: 0.5690354979318502
Energy: 0.5893355528969063
Energy: 0.5893353070085228
Energy: 0.5798341189412022
Energy: 0.5792069566925601
Energy: 0.5792075044924977
Energy: 0.5692914333245823
Energy: 0.5713144508208956
Energy: 0.5706217211178114
Energy: 0.5968592149404779
Energy: 0.5970732350332261
Energy: 0.5970806944954027
Energy: 0.5756982215658597
Energy: 0.5774727036765227
Energy: 0.5774735220379154
Energy: 0.5411138996513264
Energy: 0.5789490404103687
Energy: 0.5789486935359092
Energy: 0.6294097659701944
Energy: 0.5943200422274019
Energy: 0.5943200407796971
Energy: 0.5582406698817537
Energy: 0.5792088232666096
Energy: 0.5792084330920201
   minimum gb energy = 0.5410943053914395 eV
   minimum distance = 2.46428461623461 Angstroms
   sigma value = 241

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

Energy: 0.5910740435758942
Energy: 0.5899720159379895
Energy: 0.5899717799033107
Energy: 0.5589327112992092
Energy: 0.6074863399106429
Energy: 0.607486340050596
Energy: 0.626949962250498
Energy: 0.5789086750704384
Energy: 0.5789869426426454
Energy: 0.5582787319918873
Energy: 0.5899723270579044
Energy: 0.5899740175795407
Energy: 0.5907127816042302
Energy: 0.5899716244423241
Energy: 0.5899722646832181
Energy: 0.6307420457643806
Energy: 0.653240875213957
Energy: 0.6532408923395718
Energy: 0.5669959147325112
Energy: 0.6042209994103634
Energy: 0.6042214648028349
Energy: 0.5585858591721452
Energy: 0.5899722319871318
Energy: 0.5899720068983788
Energy: 0.5463182418929209
Energy: 0.5881292496508546
Energy: 0.5881314125741394
Energy: 0.6085630114752523
Energy: 0.6205417538800535
Energy: 0.6205414129570097
   minimum gb energy = 0.5463182418929209 eV
   minimum distance = 2.44617063006003 Angstroms
   sigma value = 65

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

Energy: 0.5793792023416929
Energy: 0.5800654682223163
Energy: 0.5800654680125161
Energy: 0.5385609684727303
Energy: 0.5725756387914113
Energy: 0.5725560218865754
Energy: 0.5387134650441174
Energy: 0.5888352798289354
Energy: 0.5888352816525854
Energy: 0.5754054496311997
Energy: 0.5707167118542522
Energy: 0.5707166777646443
Energy: 0.6861996220496571
Energy: 0.579166061994224
Energy: 0.5791681577880003
Energy: 0.6422475707748111
Energy: 0.6084354169714744
Energy: 0.6084353919973643
Energy: 0.5386486255820563
Energy: 0.5888352820930096
Energy: 0.5888352672867316
Energy: 0.5676094163316012
Energy: 0.5924181017816965
Energy: 0.5924181256866236
Energy: 0.5791676290844374
Energy: 0.5800654523899101
Energy: 0.5800654582326662
Energy: 0.5385605785449951
Energy: 0.6079590154601299
Energy: 0.607958908326272
   minimum gb energy = 0.5385605785449951 eV
   minimum distance = 2.62175181580484 Angstroms
   sigma value = 53

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

Energy: 0.5864004091319704
Energy: 0.5589372875903582
Energy: 0.558937373083925
Energy: 0.6693052171752817
Energy: 0.6085751183655062
Energy: 0.6085751150738927
Energy: 0.5615078425164332
Energy: 0.582433359957395
Energy: 0.5824326863966834
Energy: 0.5332855067539324
Energy: 0.6488313552359938
Energy: 0.6488240285017047
Energy: 0.6922053885915508
Energy: 0.6230614711368405
Energy: 0.6230611176235992
Energy: 0.5556473028494024
Energy: 0.6418704862155457
Energy: 0.6418704763045846
Energy: 0.5615078424686063
Energy: 0.5770614790472096
Energy: 0.5770622384255086
Energy: 0.6031220059564097
Energy: 0.5820015477286652
Energy: 0.5820002062039292
Energy: 0.5864004228526877
Energy: 0.558936939420149
Energy: 0.5589375576731574
Energy: 0.652534784121379
Energy: 0.5798914104579326
Energy: 0.579884535448232
   minimum gb energy = 0.5332855067539324 eV
   minimum distance = 2.53454647882202 Angstroms
   sigma value = 109

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

Energy: 0.6054718001650361
Energy: 0.6067787687091638
Energy: 0.6067769271996295
Energy: 0.5586524085751677
Energy: 0.6171360809600258
Energy: 0.6171406588084822
Energy: 0.5614989503693065
Energy: 0.5919032977369324
Energy: 0.5919046215993892
Energy: 0.5647563510057331
Energy: 0.6019976876680936
Energy: 0.6019976117155064
Energy: 0.6742525314996825
Energy: 0.6054717564986872
Energy: 0.6054718966220056
Energy: 0.5647562333184695
Energy: 0.6019976257032811
Energy: 0.6019976285987765
Energy: 0.5614989535016659
Energy: 0.5919061775963838
Energy: 0.5919022741565461
Energy: 0.5586524218653787
Energy: 0.6171407760127213
Energy: 0.617140857129703
Energy: 0.6054717494670083
Energy: 0.606779017865961
Energy: 0.606779180634407
Energy: 0.5586524098636476
Energy: 0.6171411018055283
Energy: 0.6171389348943922
   minimum gb energy = 0.5586524085751677 eV
   minimum distance = 2.46283915874769 Angstroms
   sigma value = 185

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

Energy: 0.500839806004461
Energy: 0.500839774493794
Energy: 0.5008397483301583
Energy: 0.5881578471990123
Energy: 0.519291787074128
Energy: 0.5192917870385071
Energy: 0.5095084356378133
Energy: 0.5342112260141406
Energy: 0.5342112372483623
Energy: 0.5957639170740502
Energy: 0.5192917848000118
Energy: 0.5192917876577223
Energy: 0.5008397489911544
Energy: 0.5008398764796431
Energy: 0.5008398089612557
Energy: 0.5881578116448619
Energy: 0.5192917850508024
Energy: 0.5192917941022835
Energy: 0.5095084428641021
Energy: 0.5342112907181826
Energy: 0.5342112222167664
Energy: 0.59576448123302
Energy: 0.5376773405325219
Energy: 0.5376772022835508
Energy: 0.5008397414892951
Energy: 0.5008399757548065
Energy: 0.5008397595365027
Energy: 0.5881578331968722
Energy: 0.5376772329953836
Energy: 0.5376772954764177
   minimum gb energy = 0.5008397414892951 eV
   minimum distance = 2.58077268640115 Angstroms
   sigma value = 9

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

Energy: 0.5921450151926133
Energy: 0.5931348927206972
Energy: 0.5931351538440349
Energy: 0.6876999975059451
Energy: 0.5756430813336302
Energy: 0.5756426546839832
Energy: 0.5762873720620814
Energy: 0.5981962263903486
Energy: 0.5981928989670504
Energy: 0.5762018227839064
Energy: 0.5880315272838683
Energy: 0.5880336194839465
Energy: 0.5756080086106897
Energy: 0.6162478844821692
Energy: 0.6162453283324429
Energy: 0.5756804678188249
Energy: 0.5946454687073037
Energy: 0.5946441495432084
Energy: 0.7095511728064026
Energy: 0.63501914457342
Energy: 0.6350191236599827
Energy: 0.5880333801008931
Energy: 0.6276805840483937
Energy: 0.6276809672622168
Energy: 0.6941048584111408
Energy: 0.5909367182598723
Energy: 0.5909367124994668
Energy: 0.5756801387493155
Energy: 0.5963445521415582
Energy: 0.5963430090833255
   minimum gb energy = 0.5756080086106897 eV
   minimum distance = 2.55747564151832 Angstroms
   sigma value = 221

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

Energy: 0.6033659670590986
Energy: 0.6078446561049767
Energy: 0.6078392995707164
Energy: 0.5508189424265699
Energy: 0.5843393334455144
Energy: 0.5843395433277181
Energy: 0.5456962273631012
Energy: 0.5851561266035938
Energy: 0.5851545615098264
Energy: 0.5539033854499105
Energy: 0.6352420328945231
Energy: 0.6346364826321105
Energy: 0.5876519900703506
Energy: 0.6033662558297787
Energy: 0.6033654000038385
Energy: 0.645959683557831
Energy: 0.599588814178063
Energy: 0.5995870196318092
Energy: 0.7171553907974211
Energy: 0.5456962890225981
Energy: 0.5456962766991509
Energy: 0.6656104175784774
Energy: 0.5445740883792403
Energy: 0.5445740920221148
Energy: 0.679837896019683
Energy: 0.6130391698173395
Energy: 0.6093602719474458
Energy: 0.6465682391739299
Energy: 0.5921502142440358
Energy: 0.5921507327014257
   minimum gb energy = 0.5445740883792403 eV
   minimum distance = 2.51075993407734 Angstroms
   sigma value = 137

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

Energy: 0.5653530979874725
Energy: 0.6420196080522631
Energy: 0.64201933270574
Energy: 0.7011541238923311
Energy: 0.5629679630083725
Energy: 0.5629680265445486
Energy: 0.6220139360892045
Energy: 0.6525825592676078
Energy: 0.6525825357126367
Energy: 0.5668931555029002
Energy: 0.6506980743956312
Energy: 0.6506980629289845
Energy: 0.6216661920732085
Energy: 0.636786866625483
Energy: 0.636786907717657
Energy: 0.5629684908706789
Energy: 0.6381275432066177
Energy: 0.6381275145368224
Energy: 0.7072467858368303
Energy: 0.6469314191735505
Energy: 0.6469317712498108
Energy: 0.5668928464152957
Energy: 0.6032658451518665
Energy: 0.6032658501503801
Energy: 0.6601653452548665
Energy: 0.5862280975101092
Energy: 0.5862277088990213
Energy: 0.566702574178715
Energy: 0.5862268820143245
Energy: 0.5862270518639204
   minimum gb energy = 0.5629679630083725 eV
   minimum distance = 2.50147280048492 Angstroms
   sigma value = 73

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

Energy: 0.6120748501593564
Energy: 0.6074881417470038
Energy: 0.6169385651139463
Energy: 0.5947888287774753
Energy: 0.5996326865455149
Energy: 0.5996330016464066
Energy: 0.595095295662475
Energy: 0.6140506383831695
Energy: 0.6140518367309662
Energy: 0.562426188668916
Energy: 0.6074888947403644
Energy: 0.6074880325386192
Energy: 0.6096627942534532
Energy: 0.5964785738435939
Energy: 0.5964802269592412
Energy: 0.5721059655714562
Energy: 0.6078372965890995
Energy: 0.6078367671386382
Energy: 0.5606249191695536
Energy: 0.6279664282263804
Energy: 0.6279669304342497
Energy: 0.5851734123988297
Energy: 0.5967837790656702
Energy: 0.5967837808240446
Energy: 0.5819382402276102
Energy: 0.5889413765985813
Energy: 0.5889411724348802
Energy: 0.5606247714593297
Energy: 0.6300171661523781
Energy: 0.630018715798428
   minimum gb energy = 0.5606247714593297 eV
   minimum distance = 2.56689647028254 Angstroms
   sigma value = 97

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

Energy: 0.5994342184397291
Energy: 0.5995050859006213
Energy: 0.5995050839207224
Energy: 0.5729815344131562
Energy: 0.5964078343417237
Energy: 0.5964078020832148
Energy: 0.5740176907893088
Energy: 0.606331631498142
Energy: 0.6063314909455794
Energy: 0.566690423772777
Energy: 0.6036601186246938
Energy: 0.6036601106086964
Energy: 0.6914686131426204
Energy: 0.5608067782577228
Energy: 0.5608068820556498
Energy: 0.6352933167737197
Energy: 0.5981924391503752
Energy: 0.5981924479863268
Energy: 0.6209667116621796
Energy: 0.5635562529895731
Energy: 0.5635562065953604
Energy: 0.6067377086259682
Energy: 0.6199160855876155
Energy: 0.6199162050729785
Energy: 0.6051497923251322
Energy: 0.6114718794592833
Energy: 0.6114725806258623
Energy: 0.5670374341202498
Energy: 0.6315788486202039
Energy: 0.6308394521112458
   minimum gb energy = 0.5608067782577228 eV
   minimum distance = 2.40761722617244 Angstroms
   sigma value = 7

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

Energy: 0.5827866076278653
Energy: 0.586014484467565
Energy: 0.5860113505723072
Energy: 0.5680142572082281
Energy: 0.6438861297302609
Energy: 0.6438816136395028
Energy: 0.665953808412676
Energy: 0.6053722282645485
Energy: 0.6053722345848562
Energy: 0.5856758503426316
Energy: 0.6094065428612774
Energy: 0.6094072170857971
Energy: 0.5759382937304318
Energy: 0.6536130182486279
Energy: 0.6536185742534834
Energy: 0.5714738791960869
Energy: 0.6294680726859627
Energy: 0.6294949160158833
Energy: 0.5880954917194842
Energy: 0.5773264315730368
Energy: 0.5773262120225016
Energy: 0.7259029626233886
Energy: 0.5710674773459514
Energy: 0.5710659424628683
Energy: 0.5884181532513175
Energy: 0.6279856830753765
Energy: 0.6279854040170176
Energy: 0.5714737631658579
Energy: 0.6282529706143202
Energy: 0.6282851520238286
   minimum gb energy = 0.5680142572082281 eV
   minimum distance = 2.52373732369772 Angstroms
   sigma value = 169

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

Energy: 0.5827075901422489
Energy: 0.5903418408671474
Energy: 0.5903409244027931
Energy: 0.5962186568529676
Energy: 0.5800108077498328
Energy: 0.5800113095814496
Energy: 0.627031906825839
Energy: 0.5876852615971087
Energy: 0.5876853310144149
Energy: 0.5751509565807125
Energy: 0.5824491589305878
Energy: 0.5824491748545362
Energy: 0.5827077256259758
Energy: 0.6034026321898704
Energy: 0.6034000683254043
Energy: 0.6519902336005369
Energy: 0.5737932337302036
Energy: 0.5737932294434319
Energy: 0.5694475716327531
Energy: 0.6334961327636247
Energy: 0.6334959857745232
Energy: 0.5694475697255823
Energy: 0.6249121850782027
Energy: 0.6249121078618554
Energy: 0.6901599352716494
Energy: 0.5924724768891989
Energy: 0.5924722677264156
Energy: 0.5693396365040049
Energy: 0.6046236820607439
Energy: 0.6046232682977721
   minimum gb energy = 0.5693396365040049 eV
   minimum distance = 2.48549876861578 Angstroms
   sigma value = 29

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

Energy: 0.5922680381741389
Energy: 0.5984716292343406
Energy: 0.5984732950670296
Energy: 0.5780825378029785
Energy: 0.6297021211945695
Energy: 0.6297019824872305
Energy: 0.6153199841594236
Energy: 0.5781211115912498
Energy: 0.5781210842878144
Energy: 0.5809811530976157
Energy: 0.6176657639002803
Energy: 0.6176580873709073
Energy: 0.5809452961980308
Energy: 0.6471672412397911
Energy: 0.6471674195714501
Energy: 0.6292724428387464
Energy: 0.613758804302937
Energy: 0.6137590766914706
Energy: 0.5848329452313173
Energy: 0.6024184777732143
Energy: 0.6024199358965558
Energy: 0.5816060734550903
Energy: 0.628829890353072
Energy: 0.6288299467191067
Energy: 0.602645603616717
Energy: 0.6257282793450669
Energy: 0.6257289689192804
Energy: 0.6104420398011241
Energy: 0.6219187568684986
Energy: 0.621918779949515
   minimum gb energy = 0.5780825378029785 eV
   minimum distance = 2.49829494308762 Angstroms
   sigma value = 97

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

Energy: 0.5839261847998657
Energy: 0.5923324146990907
Energy: 0.5923320611385599
Energy: 0.576487165187811
Energy: 0.6224617740762143
Energy: 0.6224569828986596
Energy: 0.5865490070976449
Energy: 0.6112137276841794
Energy: 0.6112113018355777
Energy: 0.579657312391842
Energy: 0.6145330580803656
Energy: 0.614533337328118
Energy: 0.6150989875016036
Energy: 0.5723098305313965
Energy: 0.5723098345439409
Energy: 0.6123326430959571
Energy: 0.5867241015904816
Energy: 0.5867255566035109
Energy: 0.5699144421509388
Energy: 0.5789445207518453
Energy: 0.5789444908769039
Energy: 0.5772017896766071
Energy: 0.5780906894049734
Energy: 0.5780906934211657
Energy: 0.5729208315971235
Energy: 0.6461842686795846
Energy: 0.6461724847236464
Energy: 0.5713341294171399
Energy: 0.5845112788478806
Energy: 0.5841891011290432
   minimum gb energy = 0.5699144421509388 eV
   minimum distance = 2.49159666682244 Angstroms
   sigma value = 73

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

Energy: 0.5838750205765882
Energy: 0.5939484687059294
Energy: 0.5939447279097319
Energy: 0.6374863934010131
Energy: 0.5766880034141109
Energy: 0.5766879124313509
Energy: 0.572139336700889
Energy: 0.619932965713007
Energy: 0.6199331717846978
Energy: 0.6541596335648557
Energy: 0.5727455082057816
Energy: 0.572744129428641
Energy: 0.5790161308232116
Energy: 0.6191578481670129
Energy: 0.6191592556097025
Energy: 0.5911854910402741
Energy: 0.5746343365542624
Energy: 0.5746341627572875
Energy: 0.5724030602551824
Energy: 0.631784506034387
Energy: 0.6317898138287426
Energy: 0.5852141535237334
Energy: 0.5781399245105546
Energy: 0.5781398018384056
Energy: 0.5792859524277724
Energy: 0.5807647855568914
Energy: 0.5807708805851843
Energy: 0.6056097994002
Energy: 0.6028726481742468
Energy: 0.6028769724466947
   minimum gb energy = 0.572139336700889 eV
   minimum distance = 2.49669984852645 Angstroms
   sigma value = 205

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

Energy: 0.5841738171146482
Energy: 0.594931658493703
Energy: 0.5949296724597749
Energy: 0.5773655548768896
Energy: 0.6179058433413109
Energy: 0.6179064967803767
Energy: 0.5735164121936815
Energy: 0.61881930538334
Energy: 0.6188182611358426
Energy: 0.5768471818432991
Energy: 0.598375879282732
Energy: 0.5983761354493717
Energy: 0.5771819352173908
Energy: 0.6080845785604996
Energy: 0.6080848184031589
Energy: 0.5916038419632152
Energy: 0.6021778725944259
Energy: 0.6021810449014497
Energy: 0.6285082087055756
Energy: 0.574045306158281
Energy: 0.5740444255862993
Energy: 0.6420274058230165
Energy: 0.5797783433155941
Energy: 0.5797809149383234
Energy: 0.5888381228355533
Energy: 0.5799919424364056
Energy: 0.5799809075192423
Energy: 0.604735861334192
Energy: 0.5744159822934544
Energy: 0.5744184477858479
   minimum gb energy = 0.5735164121936815 eV
   minimum distance = 2.49799894935378 Angstroms
   sigma value = 137

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

Energy: 0.5563147022868585
Energy: 0.5734847016621162
Energy: 0.5734847278575025
Energy: 0.5651795854250837
Energy: 0.5563147301123894
Energy: 0.5563147022262285
Energy: 0.5736459800045058
Energy: 0.5566008370803428
Energy: 0.5566008332567856
Energy: 0.5563147073541803
Energy: 0.5397558304890462
Energy: 0.5397558335892978
Energy: 0.5563147110297464
Energy: 0.5563147022032309
Energy: 0.5563147022700087
Energy: 0.5563147022078353
Energy: 0.556600833252181
Energy: 0.5566008332536994
Energy: 0.5971551599679791
Energy: 0.5841092720882625
Energy: 0.5841092720622035
Energy: 0.556314702264981
Energy: 0.5563147196246427
Energy: 0.556314702205421
Energy: 0.5563147025708198
Energy: 0.5563147022857635
Energy: 0.5563147593103619
Energy: 0.5971552193962045
Energy: 0.5841092720746979
Energy: 0.5841092723951964
   minimum gb energy = 0.5397558304890462 eV
   minimum distance = 2.57638010449941 Angstroms
   sigma value = 5

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

Energy: 0.5656707235160948
Energy: 0.5875189795659923
Energy: 0.587519051107046
Energy: 0.5564784386509607
Energy: 0.6119141261495198
Energy: 0.6119141297770081
Energy: 0.5523306208172581
Energy: 0.5936106955807419
Energy: 0.5936107105456174
Energy: 0.553496339464808
Energy: 0.5798814907246648
Energy: 0.5798814831296356
Energy: 0.580238998936377
Energy: 0.5786037290483478
Energy: 0.5786037207662472
Energy: 0.5977858696839853
Energy: 0.5520968831533261
Energy: 0.5520983930262297
Energy: 0.5516622898754661
Energy: 0.5666962042765521
Energy: 0.5667046798632163
Energy: 0.5542797848642531
Energy: 0.5604483138182095
Energy: 0.5604447360946635
Energy: 0.559804173557867
Energy: 0.5596232564276893
Energy: 0.5596266523484283
Energy: 0.5599735693738254
Energy: 0.6385684664112655
Energy: 0.6385627538240066
   minimum gb energy = 0.5516622898754661 eV
   minimum distance = 2.5760492836302 Angstroms
   sigma value = 289

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

Energy: 0.562242676689414
Energy: 0.585944163755605
Energy: 0.5859445651190309
Energy: 0.553117503170042
Energy: 0.5505536514611544
Energy: 0.5505561532365654
Energy: 0.5838971499318778
Energy: 0.5481609050808477
Energy: 0.5481642396924312
Energy: 0.5577778029034146
Energy: 0.5628089904437857
Energy: 0.5628125650305648
Energy: 0.5497868857017432
Energy: 0.6053040381578936
Energy: 0.6053037092004896
Energy: 0.552798460591554
Energy: 0.5729448105867908
Energy: 0.572944542736995
Energy: 0.5477029442262626
Energy: 0.5917155555038521
Energy: 0.5917155745872694
Energy: 0.5554359832915899
Energy: 0.6485939829857323
Energy: 0.6485893968695794
Energy: 0.5650637519906442
Energy: 0.5568052538075937
Energy: 0.5568056383514827
Energy: 0.5642685886132058
Energy: 0.5521914731868048
Energy: 0.5521939361800098
   minimum gb energy = 0.5477029442262626 eV
   minimum distance = 2.51269810151249 Angstroms
   sigma value = 109

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

Energy: 0.565498082019471
Energy: 0.5776084955908135
Energy: 0.5776084813926341
Energy: 0.5518579895466823
Energy: 0.5808743914811081
Energy: 0.5808741601963232
Energy: 0.5521622778997576
Energy: 0.5629172833026438
Energy: 0.5629193145829904
Energy: 0.5572463491435374
Energy: 0.6055398108462595
Energy: 0.6055267529849455
Energy: 0.5493564373783761
Energy: 0.5817343546285098
Energy: 0.5817384600921359
Energy: 0.5765345577143766
Energy: 0.5523503103584897
Energy: 0.5523497466926495
Energy: 0.5485139314463592
Energy: 0.5919216064151611
Energy: 0.591925692764067
Energy: 0.5420366844100436
Energy: 0.6109338081569997
Energy: 0.6109341705288678
Energy: 0.5512937923083613
Energy: 0.5572463372715506
Energy: 0.5572463793328396
Energy: 0.5434456800971329
Energy: 0.5625585164503897
Energy: 0.5625588581971557
   minimum gb energy = 0.5420366844100436 eV
   minimum distance = 2.48427883265202 Angstroms
   sigma value = 157

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

Energy: 0.5521398977241218
Energy: 0.5804813793878526
Energy: 0.5804814042084381
Energy: 0.5506015987513964
Energy: 0.6148141813478747
Energy: 0.6148112083676402
Energy: 0.5358980310017321
Energy: 0.5938013597950661
Energy: 0.5938010030178308
Energy: 0.5448166797243359
Energy: 0.5572289962264182
Energy: 0.5572293270909
Energy: 0.6060515846139982
Energy: 0.541015073253072
Energy: 0.5410155045605419
Energy: 0.6248751336082352
Energy: 0.5325839664386375
Energy: 0.5325835530277924
Energy: 0.5701221968168597
Energy: 0.535898946741208
Energy: 0.5358980240596951
Energy: 0.5321588284335682
Energy: 0.5645422489050961
Energy: 0.5645417901186343
Energy: 0.544816957226998
Energy: 0.5422390808069298
Energy: 0.5422396402560847
Energy: 0.537706710847123
Energy: 0.5962606938057236
Energy: 0.5962607622098631
   minimum gb energy = 0.5321588284335682 eV
   minimum distance = 2.5320589335847 Angstroms
   sigma value = 53

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

Energy: 0.5422923444106462
Energy: 0.5888902809263381
Energy: 0.5888902738877062
Energy: 0.5597386647364859
Energy: 0.5327143138885106
Energy: 0.5327156620883191
Energy: 0.5347853553705856
Energy: 0.5683433178814917
Energy: 0.5683432833805677
Energy: 0.5542407953022634
Energy: 0.5319773207090835
Energy: 0.5319772744479662
Energy: 0.5411546051323289
Energy: 0.5955151367977674
Energy: 0.5955152084221038
Energy: 0.6190840777755433
Energy: 0.5506500110055468
Energy: 0.5506499238302878
Energy: 0.5375136220256946
Energy: 0.5955155250673515
Energy: 0.5955150989845769
Energy: 0.5472232058431417
Energy: 0.5642151699633924
Energy: 0.5642146398441308
Energy: 0.5319772679108807
Energy: 0.6243602858031065
Energy: 0.6243602259529349
Energy: 0.6016791353387444
Energy: 0.5297692265389845
Energy: 0.5297692269093734
   minimum gb energy = 0.5297692265389845 eV
   minimum distance = 2.52901791778049 Angstroms
   sigma value = 1

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

Energy: 0.5579094224371314
Energy: 0.5485742993047483
Energy: 0.5485742937618641
Energy: 0.5364987281322767
Energy: 0.5429712371726068
Energy: 0.5429713138364635
Energy: 0.5290715884619934
Energy: 0.5372631077921194
Energy: 0.5372641654438476
Energy: 0.53598751269276
Energy: 0.5934805207983528
Energy: 0.5934801073861701
Energy: 0.5822705111787836
Energy: 0.5603713078409961
Energy: 0.5603707031846487
Energy: 0.5308018235340678
Energy: 0.6240028820749943
Energy: 0.624002771377522
Energy: 0.5895195213355937
Energy: 0.5726514093200069
Energy: 0.5726516725657085
Energy: 0.5220021710407164
Energy: 0.5948129035031464
Energy: 0.5948127417610677
Energy: 0.522163189542881
Energy: 0.649634961084021
Energy: 0.6496350158793276
Energy: 0.5465887030301498
Energy: 0.5449606068762476
Energy: 0.5449607020617332
   minimum gb energy = 0.5220021710407164 eV
   minimum distance = 2.48184088691248 Angstroms
   sigma value = 3

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

Energy: 0.594949193321672
Energy: 0.5706556475207561
Energy: 0.5706555026496367
Energy: 0.511685459593579
Energy: 0.6085130607696098
Energy: 0.6085130697309605
Energy: 0.5026512112551139
Energy: 0.6133104824114749
Energy: 0.6133102619380085
Energy: 0.510246402214453
Energy: 0.6122924010810495
Energy: 0.612292425750396
Energy: 0.534520291840615
Energy: 0.5309484347133587
Energy: 0.5309485573808981
Energy: 0.6107837413374626
Energy: 0.5168830411440195
Energy: 0.5168832621967656
Energy: 0.561733968721806
Energy: 0.5168837595413349
Energy: 0.5168838305698037
Energy: 0.59645154376853
Energy: 0.562554967293912
Energy: 0.5625548097808412
Energy: 0.5116854598756596
Energy: 0.6163339478098502
Energy: 0.6163340481260213
Energy: 0.5042515044144305
Energy: 0.6638925301650113
Energy: 0.6638931046692786
   minimum gb energy = 0.5026512112551139 eV
   minimum distance = 2.47920874123525 Angstroms
   sigma value = 17

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

Energy: 0.5398972181147411
Energy: 0.5318920498486643
Energy: 0.5318918955309492
Energy: 0.5121908882182322
Energy: 0.5536320883170394
Energy: 0.5536315782238413
Energy: 0.5134182525004
Energy: 0.6043529986019764
Energy: 0.6043559937652546
Energy: 0.5704326761559299
Energy: 0.529598964631594
Energy: 0.5295974776865463
Energy: 0.5781713257790181
Energy: 0.5108348783188377
Energy: 0.5108349179908896
Energy: 0.536028286940573
Energy: 0.5346997208732829
Energy: 0.534699720575039
Energy: 0.5346997206542596
Energy: 0.56728162924777
Energy: 0.5672838065322912
Energy: 0.5047068174440391
Energy: 0.608361097460459
Energy: 0.6083610963617252
Energy: 0.5125920004412889
Energy: 0.5958216045636004
Energy: 0.5958224151110098
Energy: 0.5062732346437481
Energy: 0.6423354393279825
Energy: 0.6423351640069168
   minimum gb energy = 0.5047068174440391 eV
   minimum distance = 2.48750907231146 Angstroms
   sigma value = 233

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

Energy: 0.5317099109783687
Energy: 0.5055700839018241
Energy: 0.5055700875622292
Energy: 0.5066084113138462
Energy: 0.5776654153970069
Energy: 0.5776650842396948
Energy: 0.5180345387760183
Energy: 0.5164898564127276
Energy: 0.5164897839486469
Energy: 0.5295023750197521
Energy: 0.5071735033378603
Energy: 0.5071734971384384
Energy: 0.510866176197363
Energy: 0.5731333733252479
Energy: 0.5731334169737854
Energy: 0.5108828080312784
Energy: 0.5357261529603307
Energy: 0.5375609795795026
Energy: 0.507501966545449
Energy: 0.526793984277048
Energy: 0.5267939843211279
Energy: 0.5969051968544776
Energy: 0.522771547289713
Energy: 0.5227715707256972
Energy: 0.5039055280176029
Energy: 0.5180346272718335
Energy: 0.5180344933289458
Energy: 0.5066083681551404
Energy: 0.5048843685137385
Energy: 0.5048843724642011
   minimum gb energy = 0.5039055280176029 eV
   minimum distance = 2.53473094558384 Angstroms
   sigma value = 89

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

Energy: 0.5481921972050883
Energy: 0.5184428705852564
Energy: 0.5184428683287399
Energy: 0.5406896335677497
Energy: 0.5405505339673031
Energy: 0.540550267783904
Energy: 0.5054242102448763
Energy: 0.6313242412668835
Energy: 0.6313236564965965
Energy: 0.5574877726848663
Energy: 0.5002453837024934
Energy: 0.5002456256290494
Energy: 0.49626887609210624
Energy: 0.6805902776741872
Energy: 0.6805903162108616
Energy: 0.6285210172941728
Energy: 0.5430991651358338
Energy: 0.5430992325043281
Energy: 0.5009825491868891
Energy: 0.577895158699998
Energy: 0.5778952350029054
Energy: 0.5364296988204652
Energy: 0.557594281997058
Energy: 0.5575942996409876
Energy: 0.5008440163346823
Energy: 0.6274161115201697
Energy: 0.6274161162614461
Energy: 0.6343472238850505
Energy: 0.5575702560542124
Energy: 0.5575706553158398
   minimum gb energy = 0.49626887609210624 eV
   minimum distance = 2.41287603939926 Angstroms
   sigma value = 85

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

Energy: 0.5399527672653006
Energy: 0.6289494203418994
Energy: 0.6289494367660803
Energy: 0.4982246566926491
Energy: 0.6295455464086119
Energy: 0.6295452433795381
Energy: 0.4993432497123301
Energy: 0.5243005692072927
Energy: 0.5243006222547784
Energy: 0.5310155489226623
Energy: 0.5093527820180416
Energy: 0.5093527997773044
Energy: 0.49958417450615356
Energy: 0.49860746531000877
Energy: 0.4986058053721667
Energy: 0.5006669252624495
Energy: 0.6005700126389466
Energy: 0.6005692605191062
Energy: 0.5024802152244776
Energy: 0.5531949720769948
Energy: 0.5531945106034613
Energy: 0.49597790812887105
Energy: 0.5671111931371718
Energy: 0.5671110567886708
Energy: 0.5168187566121045
Energy: 0.5344354870908412
Energy: 0.5344334294343317
Energy: 0.588051658488272
Energy: 0.5525071534541738
Energy: 0.5525052920252357
   minimum gb energy = 0.49597790812887105 eV
   minimum distance = 2.45698871408855 Angstroms
   sigma value = 69

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

Energy: 0.4644403190773855
Energy: 0.46444032178742106
Energy: 0.4644403208492119
Energy: 0.47183917242081164
Energy: 0.49406960987254844
Energy: 0.49406961497220664
Energy: 0.4683600105271313
Energy: 0.47721475879465286
Energy: 0.47721470887353373
Energy: 0.471839166194259
Energy: 0.4772147014385555
Energy: 0.47721477438551546
Energy: 0.4718391774797506
Energy: 0.477214701244406
Energy: 0.477214707264615
Energy: 0.6714466690276759
Energy: 0.4718391771497983
Energy: 0.4718391662458449
Energy: 0.4718391668880602
Energy: 0.4940696043044802
Energy: 0.49406961145837536
Energy: 0.46444031926745993
Energy: 0.5382440876367653
Energy: 0.5382440008857726
Energy: 0.46444032410644104
Energy: 0.47721470476367056
Energy: 0.477214882695994
Energy: 0.4718391690740249
Energy: 0.4772147160776565
Energy: 0.47721479291992414
   minimum gb energy = 0.4644403190773855 eV
   minimum distance = 2.57507800804035 Angstroms
   sigma value = 13

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

Energy: 0.5533910933890818
Energy: 0.479978386254727
Energy: 0.47997844010194757
Energy: 0.46899075710915267
Energy: 0.49994618584188766
Energy: 0.49994629851207045
Energy: 0.4756739625996761
Energy: 0.5387189658344532
Energy: 0.538717975343826
Energy: 0.47001317490523864
Energy: 0.5258192928421672
Energy: 0.5258192409188783
Energy: 0.46736136243941945
Energy: 0.47313415166205885
Energy: 0.4731350038520081
Energy: 0.4656058496965622
Energy: 0.6236870989697157
Energy: 0.6236871352427992
Energy: 0.4655108513832117
Energy: 0.5098900689698292
Energy: 0.5098900630754585
Energy: 0.5083111467725147
Energy: 0.5123474786646507
Energy: 0.5123474458093873
Energy: 0.5558075227102981
Energy: 0.5489872035309458
Energy: 0.5489873693510774
Energy: 0.47583941201037555
Energy: 0.5083184822287574
Energy: 0.508318465734234
   minimum gb energy = 0.4655108513832117 eV
   minimum distance = 2.42259971918119 Angstroms
   sigma value = 125

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

Energy: 0.5090611073786276
Energy: 0.47667288907816063
Energy: 0.4766728906783294
Energy: 0.4722798235270831
Energy: 0.49767249674418734
Energy: 0.4976724963539614
Energy: 0.4901064042693894
Energy: 0.48962348068571826
Energy: 0.4896234818094529
Energy: 0.4581973435248548
Energy: 0.5815026647476577
Energy: 0.581502664801385
Energy: 0.5811302388629564
Energy: 0.46257863182758613
Energy: 0.46257856691685934
Energy: 0.49010898913521245
Energy: 0.5416517094836392
Energy: 0.5416515542090494
Energy: 0.46081198321437256
Energy: 0.5380755156778647
Energy: 0.5380760218635632
Energy: 0.5542805704811204
Energy: 0.4641856604751051
Energy: 0.4641857038846154
Energy: 0.46405029117824237
Energy: 0.49379309164087953
Energy: 0.4937931007955318
Energy: 0.45813062142939154
Energy: 0.5616738105583139
Energy: 0.561673671865745
   minimum gb energy = 0.45813062142939154 eV
   minimum distance = 2.46822696047217 Angstroms
   sigma value = 37

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

Energy: 0.4705110040204977
Energy: 0.45429257808626256
Energy: 0.45429260831557927
Energy: 0.4523454272479758
Energy: 0.5253965604134915
Energy: 0.5253965912983903
Energy: 0.4523454453946854
Energy: 0.46093280981495827
Energy: 0.4609326806824833
Energy: 0.4542925675640564
Energy: 0.4615349095601426
Energy: 0.4615348252623393
Energy: 0.527521394297792
Energy: 0.5333639554316789
Energy: 0.5333640517540695
Energy: 0.4514118473405071
Energy: 0.4609326816385417
Energy: 0.4609328759723146
Energy: 0.45686361606037823
Energy: 0.487035909115811
Energy: 0.4870359072657511
Energy: 0.5981317999650523
Energy: 0.5333652562650225
Energy: 0.5333640194424845
Energy: 0.45713818887526975
Energy: 0.4547078592742616
Energy: 0.45470786628016346
Energy: 0.4568636902832608
Energy: 0.6626438188946626
Energy: 0.6626416627229237
   minimum gb energy = 0.4514118473405071 eV
   minimum distance = 2.42484224443629 Angstroms
   sigma value = 37

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

Energy: 0.5406313714773149
Energy: 0.44780828824759006
Energy: 0.44780828871369105
Energy: 0.44203655837802486
Energy: 0.450947396934358
Energy: 0.4509473875942045
Energy: 0.441592511295941
Energy: 0.6244679038835215
Energy: 0.6245622654648019
Energy: 0.44287676320836405
Energy: 0.4489411761598438
Energy: 0.44894117642512105
Energy: 0.4419767903257419
Energy: 0.4903333627596022
Energy: 0.4903333557228823
Energy: 0.5345531925067595
Energy: 0.5405648238208015
Energy: 0.5405654699069545
Energy: 0.4450245064812026
Energy: 0.5680571769945287
Energy: 0.5680584600558858
Energy: 0.6241418145857558
Energy: 0.4453420178472509
Energy: 0.44534201591273076
Energy: 0.4464493462224705
Energy: 0.5337398006701838
Energy: 0.5337396493056459
Energy: 0.44159250307477016
Energy: 0.5214141867413411
Energy: 0.5214139307256684
   minimum gb energy = 0.44159250307477016 eV
   minimum distance = 2.42796073519732 Angstroms
   sigma value = 185

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

Energy: 0.5200013787915426
Energy: 0.4549871980050004
Energy: 0.45498720426072264
Energy: 0.4457675880149413
Energy: 0.5153112656577957
Energy: 0.5153111984729176
Energy: 0.5117455813665002
Energy: 0.5145561276042491
Energy: 0.5145561473883051
Energy: 0.44717625797868493
Energy: 0.53815174290221
Energy: 0.538150562274364
Energy: 0.47630640092799253
Energy: 0.4761524168819421
Energy: 0.4761521423724136
Energy: 0.44429378514528983
Energy: 0.6474876653704427
Energy: 0.6474883487043467
Energy: 0.44470133677716406
Energy: 0.5875834188860497
Energy: 0.5875834431775557
Energy: 0.5612705872005586
Energy: 0.48034926444392295
Energy: 0.48034998039914195
Energy: 0.44636282185224935
Energy: 0.5465901395382825
Energy: 0.5465901758154109
Energy: 0.5117455845951551
Energy: 0.5499238442916154
Energy: 0.5499238435494613
   minimum gb energy = 0.44429378514528983 eV
   minimum distance = 2.41558957611354 Angstroms
   sigma value = 173

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

Energy: 0.49447520308487025
Energy: 0.4423405634917119
Energy: 0.4427301151923206
Energy: 0.4765101240384777
Energy: 0.7001831779415634
Energy: 0.7001830656572626
Energy: 0.4229537906270191
Energy: 0.6603615018847595
Energy: 0.6603612671641343
Energy: 0.41846436562719536
Energy: 0.5797469277146104
Energy: 0.5797482758555528
Energy: 0.42283460096577646
Energy: 0.48777305943862526
Energy: 0.48777307802245246
Energy: 0.4229537905056044
Energy: 0.4294516583126521
Energy: 0.4294516547664461
Energy: 0.476510123653686
Energy: 0.4722984570124551
Energy: 0.47229846422236377
Energy: 0.4944755129661752
Energy: 0.5464782816514624
Energy: 0.5464782806772727
Energy: 0.4765101130963229
Energy: 0.5797470003414527
Energy: 0.5797478658431999
Energy: 0.42295379050462484
Energy: 0.4868206938456174
Energy: 0.4868205607412897
   minimum gb energy = 0.41846436562719536 eV
   minimum distance = 2.45402158333788 Angstroms
   sigma value = 25

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

Energy: 0.49680923359139406
Energy: 0.4225678074704919
Energy: 0.422567933005799
Energy: 0.4150966891838133
Energy: 0.5313159124517804
Energy: 0.5313163690681657
Energy: 0.45074494791534253
Energy: 0.4557183231987789
Energy: 0.45571843310673665
Energy: 0.41217088218627307
Energy: 0.5280724944021693
Energy: 0.5280729123781149
Energy: 0.41864067886363465
Energy: 0.45072487321199795
Energy: 0.4507248616448353
Energy: 0.4261429448113689
Energy: 0.4784488850111646
Energy: 0.4784490946069968
Energy: 0.41426468075955425
Energy: 0.4903910049168354
Energy: 0.4903907464451971
Energy: 0.6330686161463337
Energy: 0.45124276276950714
Energy: 0.4512431583337611
Energy: 0.4148445017058939
Energy: 0.609880763842986
Energy: 0.6098807690281142
Energy: 0.4151889060993363
Energy: 0.4980895642571481
Energy: 0.49808948771109146
   minimum gb energy = 0.41217088218627307 eV
   minimum distance = 2.39801435207701 Angstroms
   sigma value = 269

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

Energy: 0.5397920616737513
Energy: 0.5512972083423946
Energy: 0.5512969463258469
Energy: 0.403100401000522
Energy: 0.5428810276221742
Energy: 0.5428797125937672
Energy: 0.40701440535071676
Energy: 0.5304040773666722
Energy: 0.5304044620420619
Energy: 0.43473757848572353
Energy: 0.558863734344777
Energy: 0.558864432929578
Energy: 0.4347375744407885
Energy: 0.47501640341049456
Energy: 0.47501632929686666
Energy: 0.4033536568066246
Energy: 0.5409399102071966
Energy: 0.5409394678220429
Energy: 0.45611752598338656
Energy: 0.4273200580139403
Energy: 0.4273201243790293
Energy: 0.5397925907903598
Energy: 0.5588637432143471
Energy: 0.5588639264759494
Energy: 0.4031004010039584
Energy: 0.516802078481152
Energy: 0.5168019562567934
Energy: 0.40335358534039173
Energy: 0.5715477287347006
Energy: 0.5715474346893044
   minimum gb energy = 0.403100401000522 eV
   minimum distance = 2.43491239585646 Angstroms
   sigma value = 65

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

Energy: 0.5361173802002548
Energy: 0.6485976720401252
Energy: 0.64859767146242
Energy: 0.4058785667502957
Energy: 0.4698543511831698
Energy: 0.4698545815779293
Energy: 0.40618199574619296
Energy: 0.5689088683488551
Energy: 0.5689086544775857
Energy: 0.43488548625808854
Energy: 0.40215521709186947
Energy: 0.40215516968137976
Energy: 0.4047243520824331
Energy: 0.6014663095625944
Energy: 0.6014631193109904
Energy: 0.497492616565023
Energy: 0.43487124948696915
Energy: 0.4348707840571032
Energy: 0.40373324592048326
Energy: 0.4936045680074287
Energy: 0.4936045519373605
Energy: 0.600107234335055
Energy: 0.4348707711013719
Energy: 0.43487075300956046
Energy: 0.4037332182919592
Energy: 0.467959419079629
Energy: 0.4679593458751082
Energy: 0.46404013177500625
Energy: 0.43428775992961755
Energy: 0.4342874708909499
   minimum gb energy = 0.40215516968137976 eV
   minimum distance = 2.43703772990207 Angstroms
   sigma value = 79

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

Energy: 0.45164146805187316
Energy: 0.5162385795945079
Energy: 0.5162385748819409
Energy: 0.43054285837586903
Energy: 0.525526839093796
Energy: 0.5255268226434088
Energy: 0.4389330575396292
Energy: 0.39187716062526323
Energy: 0.3918772149252322
Energy: 0.38645790247938294
Energy: 0.5762330105337715
Energy: 0.5762313993841378
Energy: 0.3864578931674147
Energy: 0.475537352905487
Energy: 0.4755371806432345
Energy: 0.38289398550349174
Energy: 0.5740563131476053
Energy: 0.5740563246132364
Energy: 0.43054284766099166
Energy: 0.38645790757647064
Energy: 0.3864579030474026
Energy: 0.451641639467798
Energy: 0.6158127965298524
Energy: 0.6158131107576144
Energy: 0.4305428857169491
Energy: 0.41776044361027936
Energy: 0.4177604340719793
Energy: 0.423608197939529
Energy: 0.5142730616013704
Energy: 0.5142730987789104
   minimum gb energy = 0.38289398550349174 eV
   minimum distance = 2.43851758229655 Angstroms
   sigma value = 41

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

Energy: 0.4634545855590958
Energy: 0.3778278139371493
Energy: 0.37782781460947673
Energy: 0.366178551778032
Energy: 0.4665211423650833
Energy: 0.4665213503120061
Energy: 0.36997963334210937
Energy: 0.45417725526013963
Energy: 0.4541730872075145
Energy: 0.5346050791937104
Energy: 0.41496378765382713
Energy: 0.414963708402889
Energy: 0.4474063107508362
Energy: 0.49175118510159144
Energy: 0.49175338304512084
Energy: 0.373986979485476
Energy: 0.49967782023900587
Energy: 0.49967822007314655
Energy: 0.3731416049368459
Energy: 0.5456047801697314
Energy: 0.5455949178268815
Energy: 0.5307215793739123
Energy: 0.4568471213479916
Energy: 0.45684711500655445
Energy: 0.4052084305312789
Energy: 0.36920506528726066
Energy: 0.3692051242332637
Energy: 0.3678288385317156
Energy: 0.5256070022328914
Energy: 0.5256070006860245
   minimum gb energy = 0.366178551778032 eV
   minimum distance = 2.43339234965686 Angstroms
   sigma value = 101

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

Energy: 0.4955517011522388
Energy: 0.5828083535957775
Energy: 0.5828083642035607
Energy: 0.4383102575356461
Energy: 0.35650751521610063
Energy: 0.3565075086555235
Energy: 0.35326967228454975
Energy: 0.5468357461992874
Energy: 0.5468357199970256
Energy: 0.3527231289151458
Energy: 0.3623334124771249
Energy: 0.36233391597097203
Energy: 0.353269653615646
Energy: 0.4801278986381821
Energy: 0.4801290372107806
Energy: 0.3532697910278293
Energy: 0.42889886145394424
Energy: 0.4288988735484469
Energy: 0.3521133226791159
Energy: 0.42889936810681367
Energy: 0.42889895326910316
Energy: 0.4955517093757128
Energy: 0.5468357996781767
Energy: 0.5468358312275834
Energy: 0.49009954318011006
Energy: 0.4288988341077693
Energy: 0.4288989590982349
Energy: 0.35326966164857704
Energy: 0.5962028794856375
Energy: 0.5962029157660672
   minimum gb energy = 0.3521133226791159 eV
   minimum distance = 2.58197549778523 Angstroms
   sigma value = 15

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

Energy: 0.47970761146705715
Energy: 0.5635353257243912
Energy: 0.5635349161551106
Energy: 0.40085115048777364
Energy: 0.41386174712665413
Energy: 0.41386176377069467
Energy: 0.3410930597719098
Energy: 0.49363360584300786
Energy: 0.4936339112169034
Energy: 0.3477251250779599
Energy: 0.46382260487476495
Energy: 0.4638239295705255
Energy: 0.5447724219335205
Energy: 0.3753029299163548
Energy: 0.3753032072217415
Energy: 0.3437806154022058
Energy: 0.5621918619557102
Energy: 0.5621917087010254
Energy: 0.3387172456809817
Energy: 0.4860096877149651
Energy: 0.48601001610515077
Energy: 0.5441819184988634
Energy: 0.4427269293212097
Energy: 0.4427269250497307
Energy: 0.3431228532867129
Energy: 0.5223567096720709
Energy: 0.5223563703029526
Energy: 0.34015332176898927
Energy: 0.47395350898584054
Energy: 0.4739533810948679
   minimum gb energy = 0.3387172456809817 eV
   minimum distance = 2.44760844740686 Angstroms
   sigma value = 145

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

Energy: 0.45275142539290036
Energy: 0.5360584039813352
Energy: 0.5360584626348066
Energy: 0.33275878121861335
Energy: 0.4464982040895285
Energy: 0.44649774876932846
Energy: 0.32774755052538473
Energy: 0.45639730762374525
Energy: 0.4563972930362203
Energy: 0.3281777642118135
Energy: 0.445011563133169
Energy: 0.4450115640745769
Energy: 0.3277476428954001
Energy: 0.4450115679449061
Energy: 0.44501179391593854
Energy: 0.32774762292373066
Energy: 0.4464977444545663
Energy: 0.44649780328483535
Energy: 0.33275880554324416
Energy: 0.5373621396400848
Energy: 0.5373627887705063
Energy: 0.4527514357092709
Energy: 0.4518768342125351
Energy: 0.4518768339008573
Energy: 0.40365535008816866
Energy: 0.44844553133318693
Energy: 0.44844550565830654
Energy: 0.3570395775782666
Energy: 0.327025861068635
Energy: 0.3270258611530497
   minimum gb energy = 0.327025861068635 eV
   minimum distance = 2.5560096904346 Angstroms
   sigma value = 85

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

Energy: 0.49475590656980833
Energy: 0.527780719194662
Energy: 0.527781099469028
Energy: 0.31895064659244626
Energy: 0.5635949497460947
Energy: 0.5635945672175119
Energy: 0.3193776033746099
Energy: 0.525521552113066
Energy: 0.5255260298318062
Energy: 0.3758104798055739
Energy: 0.5290367263282559
Energy: 0.5290367654899159
Energy: 0.375810513881844
Energy: 0.3561183120938688
Energy: 0.3561186525555083
Energy: 0.318236905622755
Energy: 0.43150615375118695
Energy: 0.4315061773606402
Energy: 0.3172696728753968
Energy: 0.40569840520644795
Energy: 0.40569870481701
Energy: 0.5550496278406193
Energy: 0.42982719274509046
Energy: 0.429827087628358
Energy: 0.39031077429592964
Energy: 0.43871720545758647
Energy: 0.43871766969316944
Energy: 0.31850890311740726
Energy: 0.4315060366854326
Energy: 0.43150621171311915
   minimum gb energy = 0.3172696728753968 eV
   minimum distance = 2.45668563353058 Angstroms
   sigma value = 197

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

Energy: 0.42251649660786433
Energy: 0.5075587915890999
Energy: 0.5075587300965374
Energy: 0.31592803692791827
Energy: 0.5018824241974092
Energy: 0.5018824237603716
Energy: 0.2951679516524447
Energy: 0.4714792194900336
Energy: 0.4714792453172809
Energy: 0.2960524350328852
Energy: 0.40648876225770486
Energy: 0.40648877239233167
Energy: 0.3706167079486506
Energy: 0.40648873769043
Energy: 0.4064887804495588
Energy: 0.29516790756425587
Energy: 0.3611438539105897
Energy: 0.3611429132396401
Energy: 0.3967691962023701
Energy: 0.5017898959677528
Energy: 0.5017894765939396
Energy: 0.42251654675738665
Energy: 0.42208217456489994
Energy: 0.4220821911541502
Energy: 0.31592803563799876
Energy: 0.48985881657754715
Energy: 0.4898588178996963
Energy: 0.30312978783830025
Energy: 0.5018824237875334
Energy: 0.5018824238736677
   minimum gb energy = 0.29516790756425587 eV
   minimum distance = 2.55448368414644 Angstroms
   sigma value = 113

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

Energy: 0.43450993695092605
Energy: 0.47715064374773897
Energy: 0.4771508774730796
Energy: 0.4648508196391751
Energy: 0.3311046975171981
Energy: 0.3311047236755318
Energy: 0.2821042909846758
Energy: 0.3863750568728614
Energy: 0.3863750482965143
Energy: 0.2821043678802924
Energy: 0.4732175647065765
Energy: 0.4732175781394507
Energy: 0.2776451742359898
Energy: 0.3825067660340725
Energy: 0.38250676593934385
Energy: 0.2868137344479354
Energy: 0.4706827699550609
Energy: 0.47068244981821605
Energy: 0.4220801564905907
Energy: 0.3767234351810854
Energy: 0.3767234710975823
Energy: 0.4748622617228646
Energy: 0.47502432587491933
Energy: 0.4750243254626906
Energy: 0.3717347968486449
Energy: 0.48273484698950103
Energy: 0.48273478787344426
Energy: 0.33638022121440214
Energy: 0.3797553170660759
Energy: 0.37975501566905573
   minimum gb energy = 0.2776451742359898 eV
   minimum distance = 2.46399093670781 Angstroms
   sigma value = 145

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

Energy: 0.44374911250569404
Energy: 0.45086527656368036
Energy: 0.45086484313494446
Energy: 0.39430047893210957
Energy: 0.3905605352633164
Energy: 0.3905604842417602
Energy: 0.2647029214330326
Energy: 0.31610371398160336
Energy: 0.3161028091862221
Energy: 0.27137446437317736
Energy: 0.448707809734674
Energy: 0.4487077445756311
Energy: 0.2651452337102245
Energy: 0.44735228840798313
Energy: 0.4473522429357994
Energy: 0.31537411926442377
Energy: 0.3588776596964363
Energy: 0.35887766765973905
Energy: 0.28035897247611546
Energy: 0.44871483867862677
Energy: 0.44870456320420066
Energy: 0.44374906776451994
Energy: 0.44116830716147465
Energy: 0.4411693508738779
Energy: 0.47462245749454046
Energy: 0.30763235531377103
Energy: 0.30763414679108747
Energy: 0.2713742681799972
Energy: 0.4602161099993515
Energy: 0.46021569070624907
   minimum gb energy = 0.2647029214330326 eV
   minimum distance = 2.58068864818808 Angstroms
   sigma value = 181

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

Energy: 0.4402097255978163
Energy: 0.4319291617987156
Energy: 0.43192830202346166
Energy: 0.3481385941969296
Energy: 0.4847220206671682
Energy: 0.4847206702282612
Energy: 0.2570887482633874
Energy: 0.46982949036268423
Energy: 0.46982859984015
Energy: 0.25551771067712614
Energy: 0.42713233178181825
Energy: 0.427132591588634
Energy: 0.255517685045827
Energy: 0.4278314505371865
Energy: 0.4278295641972174
Energy: 0.2570887964829323
Energy: 0.43665701442340177
Energy: 0.43665714318350074
Energy: 0.34813861978045924
Energy: 0.42782961537353115
Energy: 0.4278295486381896
Energy: 0.47733854115716595
Energy: 0.3827991492993467
Energy: 0.38279964006111455
Energy: 0.34813854666859023
Energy: 0.4134931030410144
Energy: 0.4134880528927664
Energy: 0.26858928797907616
Energy: 0.370744423472151
Energy: 0.3707442103417899
   minimum gb energy = 0.255517685045827 eV
   minimum distance = 2.47470678607591 Angstroms
   sigma value = 55

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

Energy: 0.3963863007105855
Energy: 0.41020132695360345
Energy: 0.4102014389176216
Energy: 0.31345544271038633
Energy: 0.39951079369756815
Energy: 0.3995093230217526
Energy: 0.33584940107359645
Energy: 0.24726801895189765
Energy: 0.24726799339816097
Energy: 0.23919040686272422
Energy: 0.39398669363171107
Energy: 0.3939867758905326
Energy: 0.24751998981782483
Energy: 0.4056676382344394
Energy: 0.4056695313454865
Energy: 0.24243553041821767
Energy: 0.3857504427473037
Energy: 0.38575089744474667
Energy: 0.43326935156141216
Energy: 0.2445628321286818
Energy: 0.2445628255663402
Energy: 0.4633809187203231
Energy: 0.3994075085848067
Energy: 0.3994104383562853
Energy: 0.3134567026276486
Energy: 0.4022268508375202
Energy: 0.4022264509016165
Energy: 0.2421820693560688
Energy: 0.40870785909748153
Energy: 0.40870783025294666
   minimum gb energy = 0.23919040686272422 eV
   minimum distance = 2.57462629752523 Angstroms
   sigma value = 265

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

Energy: 0.43720092946641426
Energy: 0.3914280951601134
Energy: 0.39142917098253954
Energy: 0.46168030352953987
Energy: 0.2931238585850726
Energy: 0.29312379675492933
Energy: 0.23529182413345853
Energy: 0.38876284948877154
Energy: 0.38876304876478346
Energy: 0.22804510808372516
Energy: 0.3591486388804952
Energy: 0.3591484555134719
Energy: 0.2352939262509693
Energy: 0.3894820859305255
Energy: 0.3894832688044333
Energy: 0.23122156775564467
Energy: 0.36898713555768387
Energy: 0.3689871199477679
Energy: 0.2954739760305256
Energy: 0.3899915865355755
Energy: 0.3899915824887821
Energy: 0.4396477802854638
Energy: 0.38369066677608216
Energy: 0.3836907124996333
Energy: 0.3592984671053733
Energy: 0.3922118700701395
Energy: 0.39221243804364914
Energy: 0.23302948137512852
Energy: 0.38369072926919856
Energy: 0.38369062304482265
   minimum gb energy = 0.22804510808372516 eV
   minimum distance = 2.57189977483297 Angstroms
   sigma value = 39

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

Energy: 0.4159631691286908
Energy: 0.37652705195942276
Energy: 0.37652604559399255
Energy: 0.2849618559597547
Energy: 0.37039154390740064
Energy: 0.37039204869724107
Energy: 0.25847592665032426
Energy: 0.3624551269996113
Energy: 0.36245501663627033
Energy: 0.21984080947275855
Energy: 0.357123880083744
Energy: 0.35712438181281714
Energy: 0.22200592588554702
Energy: 0.37350916549461183
Energy: 0.37350906676441475
Energy: 0.22501099076801687
Energy: 0.4138222154265784
Energy: 0.4138260594993924
Energy: 0.2849617229288188
Energy: 0.37345991625052954
Energy: 0.3734625394967414
Energy: 0.47039148717948803
Energy: 0.3624572398425794
Energy: 0.3624567338450993
Energy: 0.4374903482181263
Energy: 0.27855045027852116
Energy: 0.27855045606176765
Energy: 0.2745837918637936
Energy: 0.34801909710156564
Energy: 0.34801909590310803
   minimum gb energy = 0.21984080947275855 eV
   minimum distance = 2.51548282072973 Angstroms
   sigma value = 91

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

Energy: 0.39749702252953967
Energy: 0.3614987734507044
Energy: 0.36149876217753835
Energy: 0.2757239698312384
Energy: 0.3613069310647523
Energy: 0.36130649665911446
Energy: 0.21610525120124247
Energy: 0.36246286132184896
Energy: 0.36245615446385904
Energy: 0.21386419478331747
Energy: 0.35478471583161664
Energy: 0.3547885161621699
Energy: 0.2124280311689588
Energy: 0.3437999009154929
Energy: 0.343799892199934
Energy: 0.31728309335432653
Energy: 0.2675335008181185
Energy: 0.2675341568535537
Energy: 0.3837870749446432
Energy: 0.2711855879025663
Energy: 0.2711852006439505
Energy: 0.44871434219135414
Energy: 0.3568754011647565
Energy: 0.3568722594057633
Energy: 0.32613115985580327
Energy: 0.3626851167996493
Energy: 0.36268599252991374
Energy: 0.2195191226408363
Energy: 0.3939697002323598
Energy: 0.39396975701108417
   minimum gb energy = 0.2124280311689588 eV
   minimum distance = 2.58640356268258 Angstroms
   sigma value = 105

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

Energy: 0.011886441583634525
Energy: 0.01188644158814048
Energy: 0.011886441593669621
Energy: 0.011886441578794066
Energy: 0.17399069478962007
Energy: 0.17399069479516888
Energy: 0.01188644157948275
Energy: 0.17399069479343732
Energy: 0.17399069478962007
Energy: 0.011886441575330975
Energy: 0.17399069476815282
Energy: 0.173990694792729
Energy: 0.01188644157670834
Energy: 0.17399069479030874
Energy: 0.17399069478409093
Energy: 0.011886441585700574
Energy: 0.17399069478338258
Energy: 0.17399069478962007
Energy: 0.01188644158190298
Energy: 0.1739906947757677
Energy: 0.1739906947892659
Energy: 0.011886441590206529
Energy: 0.011886441591938074
Energy: 0.011886441571513702
Energy: 0.011886441589517845
Energy: 0.17399069478684565
Energy: 0.17399069478962007
Energy: 0.011886441588829162
Energy: 0.17399069478651114
Energy: 0.17399069476919568
   minimum gb energy = 0.011886441571513702 eV
   minimum distance = 2.84226934399656 Angstroms
   sigma value = 1