model_name=EAM_Dynamo_PunYamakovMishin_2013_AlCo__MO_678952612413_000
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=4.05000014603138
cohesive_energy=3.3602642414071076
mass=26.981538


Isolated atom energy: 0.0 eV

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

Energy: 0.010326213785065463
Energy: 0.010326213788979912
Energy: 0.010326213787508523
Energy: 0.010326213787508523
Energy: 0.010326213788979912
Energy: 0.010326213787508523
Energy: 0.010326213788480193
Energy: 0.010326213788480193
Energy: 0.01032621378653685
Energy: 0.01032621378653685
Energy: 0.010326213789951582
Energy: 0.010326213787508523
Energy: 0.010326213788979912
Energy: 0.010326213788979912
Energy: 0.010326213788480193
Energy: 0.3387252459958129
Energy: 0.010326213787508523
Energy: 0.010326213789451866
Energy: 0.010326213789451866
Energy: 0.010326213788979912
Energy: 0.010326213788480193
Energy: 0.010326213787508523
Energy: 0.010326213787008806
Energy: 0.01032621378800824
Energy: 0.010326213785065463
Energy: 0.01032621378800824
Energy: 0.010326213787508523
Energy: 0.010326213787508523
Energy: 0.010326213787508523
Energy: 0.010326213790923253
   minimum gb energy = 0.010326213785065463 eV
   minimum distance = 2.8636820838362 Angstroms
   sigma value = 1

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

Energy: 0.4313277234707802
Energy: 0.39821316687168146
Energy: 0.39821316687688185
Energy: 0.3898113312700123
Energy: 0.39822167379192897
Energy: 0.39822164137099314
Energy: 0.39035720002986696
Energy: 0.4501249311566264
Energy: 0.4501240874496503
Energy: 0.4024843277463461
Energy: 0.38459075839368734
Energy: 0.3845907159548717
Energy: 0.40564059672470865
Energy: 0.3985720700683576
Energy: 0.39857206463092343
Energy: 0.3696875606473725
Energy: 0.40673956167114755
Energy: 0.4067398782808921
Energy: 0.39027079461628705
Energy: 0.3985720623142411
Energy: 0.3985720440848238
Energy: 0.40359694377776484
Energy: 0.43849742540085757
Energy: 0.4384972366972343
Energy: 0.39821557097281773
Energy: 0.4385123112656374
Energy: 0.43851217691138844
Energy: 0.3963680204458522
Energy: 0.4132728496957428
Energy: 0.41327353397782823
   minimum gb energy = 0.3696875606473725 eV
   minimum distance = 2.58547183939281 Angstroms
   sigma value = 113

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

Energy: 0.4444503093714041
Energy: 0.41500924983587495
Energy: 0.4150092498038794
Energy: 0.3822759700503933
Energy: 0.41710638119165516
Energy: 0.41710644715335726
Energy: 0.39683582853497895
Energy: 0.4154479026120368
Energy: 0.4154479003286755
Energy: 0.39673151371196963
Energy: 0.4175351737257533
Energy: 0.4175351133461811
Energy: 0.3831987079359088
Energy: 0.4150168504251522
Energy: 0.41501685039103625
Energy: 0.41416974242667376
Energy: 0.41753499633738245
Energy: 0.4175348665042586
Energy: 0.3868579111990265
Energy: 0.4154479009991894
Energy: 0.41544790110220176
Energy: 0.3931131750714591
Energy: 0.41753486667930045
Energy: 0.41753532893333434
Energy: 0.39734952390800926
Energy: 0.4154479017212252
Energy: 0.41544790099048634
Energy: 0.3844701452735642
Energy: 0.4268579165830598
Energy: 0.4268581772138576
   minimum gb energy = 0.3822759700503933 eV
   minimum distance = 2.62561095092606 Angstroms
   sigma value = 197

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

Energy: 0.46476298548005374
Energy: 0.42852035788429155
Energy: 0.42852045552355517
Energy: 0.40984036862343914
Energy: 0.42723623812758077
Energy: 0.4272363317786712
Energy: 0.4463347212662601
Energy: 0.4115822158590799
Energy: 0.411582235504406
Energy: 0.4113625818191583
Energy: 0.48777116823754946
Energy: 0.48777082093158897
Energy: 0.42359866566367843
Energy: 0.42622513208911467
Energy: 0.4262254680107679
Energy: 0.3955959794146802
Energy: 0.4383253572506603
Energy: 0.43832557345707257
Energy: 0.41351377686722
Energy: 0.41543364362661467
Energy: 0.41543368688520366
Energy: 0.42039756582875554
Energy: 0.5067421790146734
Energy: 0.5067421789921884
Energy: 0.4662357982290925
Energy: 0.4154333743168743
Energy: 0.41543169443173744
Energy: 0.4086391194493507
Energy: 0.43832511551050257
Energy: 0.43832572423867217
   minimum gb energy = 0.3955959794146802 eV
   minimum distance = 2.62736895596256 Angstroms
   sigma value = 169

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

Energy: 0.47310000844448125
Energy: 0.44413853401221043
Energy: 0.4441385807008796
Energy: 0.42708407251243846
Energy: 0.49184198243391386
Energy: 0.4918419652312332
Energy: 0.45968871784149107
Energy: 0.4408195748634944
Energy: 0.44081956054049065
Energy: 0.4272371384444196
Energy: 0.44412314365086825
Energy: 0.44412307321084943
Energy: 0.4382805856083833
Energy: 0.5004763520879993
Energy: 0.5004762934283179
Energy: 0.4385462362154454
Energy: 0.4479573003649456
Energy: 0.4479573139128729
Energy: 0.4382805855004853
Energy: 0.5397335342238588
Energy: 0.5397346014864702
Energy: 0.4169715407418071
Energy: 0.44482839813416186
Energy: 0.4448283845160731
Energy: 0.4363038657404318
Energy: 0.4369601776029155
Energy: 0.4369601771851567
Energy: 0.4323529732961855
Energy: 0.4602596717226122
Energy: 0.4602594095691107
   minimum gb energy = 0.4169715407418071 eV
   minimum distance = 2.58832879652879 Angstroms
   sigma value = 145

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

Energy: 0.4886599798454694
Energy: 0.46710834590258093
Energy: 0.4671083407371246
Energy: 0.4587725351320512
Energy: 0.508595080057554
Energy: 0.5085951654683915
Energy: 0.4439004629140798
Energy: 0.4568291805050096
Energy: 0.45682916056878925
Energy: 0.43933543669480896
Energy: 0.4824945728843352
Energy: 0.4824938324158995
Energy: 0.5031959145250083
Energy: 0.46931592400437894
Energy: 0.4693159148898992
Energy: 0.42332651798871535
Energy: 0.4671167494448752
Energy: 0.46711676947439507
Energy: 0.45630519453430546
Energy: 0.4532666409166333
Energy: 0.45326679992835667
Energy: 0.45630463409401684
Energy: 0.4963778985469333
Energy: 0.4963786007979898
Energy: 0.4335169863510859
Energy: 0.45595228769405693
Energy: 0.45595229218166394
Energy: 0.4563046332529939
Energy: 0.45024882983306647
Energy: 0.4502487845568535
   minimum gb energy = 0.42332651798871535 eV
   minimum distance = 2.57625667167355 Angstroms
   sigma value = 61

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

Energy: 0.48385247007928
Energy: 0.478459672996688
Energy: 0.47845966175714794
Energy: 0.4521132584174336
Energy: 0.4796142269175917
Energy: 0.4796142977615008
Energy: 0.4643251769001656
Energy: 0.5422796571206694
Energy: 0.5422796685618888
Energy: 0.4515935634604229
Energy: 0.5315705638231867
Energy: 0.5315705637988994
Energy: 0.46468758447961656
Energy: 0.48526128051360845
Energy: 0.48526106366062843
Energy: 0.46468884833085994
Energy: 0.4977035689054637
Energy: 0.49770359976753586
Energy: 0.4593284213044942
Energy: 0.49770355893867285
Energy: 0.49770407252278176
Energy: 0.4645793962079924
Energy: 0.4852614165607726
Energy: 0.48526203776901916
Energy: 0.4643256632834781
Energy: 0.5397114851028753
Energy: 0.5397117815098278
Energy: 0.4795570935567607
Energy: 0.478459683436804
Energy: 0.4784597049590017
   minimum gb energy = 0.4515935634604229 eV
   minimum distance = 2.59892992907627 Angstroms
   sigma value = 101

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

Energy: 0.5023154865853884
Energy: 0.5038960147811244
Energy: 0.5038958693594081
Energy: 0.49098632474744724
Energy: 0.5046827869168481
Energy: 0.5046830580603019
Energy: 0.45789061907327666
Energy: 0.5046828459489436
Energy: 0.5046824234639252
Energy: 0.458431278408263
Energy: 0.5046824140249254
Energy: 0.5046829142037649
Energy: 0.47465076396287625
Energy: 0.503890384727755
Energy: 0.5038904012456735
Energy: 0.46341361802382885
Energy: 0.5038903849947498
Energy: 0.5038903871752973
Energy: 0.507329289468815
Energy: 0.504682354159029
Energy: 0.5046827399816822
Energy: 0.4631276954045262
Energy: 0.5046825592708362
Energy: 0.5046826300470734
Energy: 0.4848532025329318
Energy: 0.5046827918032993
Energy: 0.5046824015666721
Energy: 0.4853619856212413
Energy: 0.5038963850400356
Energy: 0.5038963241207778
   minimum gb energy = 0.45789061907327666 eV
   minimum distance = 2.60135469840042 Angstroms
   sigma value = 81

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

Energy: 0.5356494461833474
Energy: 0.5271919727690378
Energy: 0.5271919727872193
Energy: 0.5008302753616399
Energy: 0.48523675338936795
Energy: 0.48523677547972727
Energy: 0.5003841455841174
Energy: 0.4939102200917103
Energy: 0.4939097159668668
Energy: 0.5587120641406673
Energy: 0.49028509426541195
Energy: 0.4902850979358072
Energy: 0.508585977741988
Energy: 0.5069982552622374
Energy: 0.5069982551895392
Energy: 0.5195970418138159
Energy: 0.5069977037351694
Energy: 0.5070002778981285
Energy: 0.5587121275312515
Energy: 0.4956061831189979
Energy: 0.49560618812696977
Energy: 0.5256816613742715
Energy: 0.49390983632436136
Energy: 0.49391085608684954
Energy: 0.4876259531456643
Energy: 0.4852367583313082
Energy: 0.48523674518165255
Energy: 0.5178694484850644
Energy: 0.5109045933244631
Energy: 0.5109048009032797
   minimum gb energy = 0.48523674518165255 eV
   minimum distance = 2.49791212497129 Angstroms
   sigma value = 1

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

Energy: 0.5129459468187461
Energy: 0.5442659844446336
Energy: 0.5442659108569046
Energy: 0.5171629213382969
Energy: 0.5032578981817946
Energy: 0.5032579898749724
Energy: 0.5059631668259477
Energy: 0.5256830380300921
Energy: 0.525648772322038
Energy: 0.5127168648208228
Energy: 0.5425621592336703
Energy: 0.5425609813218161
Energy: 0.5145124970171755
Energy: 0.5896423477923062
Energy: 0.5896419723417973
Energy: 0.5181674489674315
Energy: 0.5103363769432301
Energy: 0.5103364602693714
Energy: 0.5233901877295207
Energy: 0.5266997405881607
Energy: 0.5266788972322151
Energy: 0.5135042285484531
Energy: 0.5768755602292466
Energy: 0.5768754372060598
Energy: 0.4848545656967835
Energy: 0.5495853714229827
Energy: 0.5495880074678275
Energy: 0.5129457657700108
Energy: 0.5392196155170808
Energy: 0.5392196145343396
   minimum gb energy = 0.4848545656967835 eV
   minimum distance = 2.57007909969462 Angstroms
   sigma value = 229

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

Energy: 0.5577695732160965
Energy: 0.5506204669696726
Energy: 0.550620176262417
Energy: 0.5556053130761617
Energy: 0.5161266379908686
Energy: 0.5161266379929416
Energy: 0.5626606505522489
Energy: 0.533040122385201
Energy: 0.5330401160404552
Energy: 0.5010275390510939
Energy: 0.5060149380941761
Energy: 0.5236878697976421
Energy: 0.5084546517588509
Energy: 0.5454841417418991
Energy: 0.545483051609235
Energy: 0.4955889197027899
Energy: 0.5512910048937326
Energy: 0.5512927635092211
Energy: 0.5049643294732215
Energy: 0.5958750203704982
Energy: 0.613496876814877
Energy: 0.4859981586000903
Energy: 0.552187717646012
Energy: 0.5521871045603822
Energy: 0.5181790810297834
Energy: 0.5037908999971478
Energy: 0.5037909000171867
Energy: 0.5138984449442493
Energy: 0.5070949015047481
Energy: 0.5077720795689701
   minimum gb energy = 0.4859981586000903 eV
   minimum distance = 2.60070355513826 Angstroms
   sigma value = 25

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

Energy: 0.5879786784639949
Energy: 0.5370634156509753
Energy: 0.5370634204829455
Energy: 0.49952129678805024
Energy: 0.5449049955478968
Energy: 0.5449034668949324
Energy: 0.520978133980677
Energy: 0.5783887102687487
Energy: 0.5783885489815341
Energy: 0.5047335920277836
Energy: 0.532867911661651
Energy: 0.532867994684686
Energy: 0.5353774493811694
Energy: 0.5370634112259498
Energy: 0.5370634417246823
Energy: 0.5395435998677154
Energy: 0.5349623055804068
Energy: 0.534962310133561
Energy: 0.5495685246407411
Energy: 0.5289555742315277
Energy: 0.528956281181103
Energy: 0.5289555973079265
Energy: 0.5294815035338359
Energy: 0.5294804829199954
Energy: 0.5222551697210837
Energy: 0.5297129039159296
Energy: 0.5297129181263375
Energy: 0.5250867647186885
Energy: 0.5634818957483317
Energy: 0.5634717583971234
   minimum gb energy = 0.49952129678805024 eV
   minimum distance = 2.53423797705865 Angstroms
   sigma value = 173

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

Energy: 0.5457667173841143
Energy: 0.5836204550836731
Energy: 0.5836212198343246
Energy: 0.5453029383330535
Energy: 0.523682148993816
Energy: 0.5236821473036747
Energy: 0.5794815436226156
Energy: 0.5324690384451399
Energy: 0.5337798999706767
Energy: 0.5718149091922805
Energy: 0.5860718705844745
Energy: 0.5860717361642046
Energy: 0.5236821471752058
Energy: 0.5233882995081915
Energy: 0.5233882645347574
Energy: 0.5199774134457728
Energy: 0.5213825902924253
Energy: 0.5213830793127174
Energy: 0.534547305996335
Energy: 0.5639300041008974
Energy: 0.5639300040141805
Energy: 0.518642096876435
Energy: 0.5867860634379333
Energy: 0.5867860630332662
Energy: 0.5595096148809372
Energy: 0.5199767799535074
Energy: 0.5199767804183836
Energy: 0.5437904864718747
Energy: 0.5357326124176256
Energy: 0.5357326126673341
   minimum gb energy = 0.518642096876435 eV
   minimum distance = 2.51705386275559 Angstroms
   sigma value = 9

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

Energy: 0.5945808397222399
Energy: 0.5524724845383917
Energy: 0.5524717555942819
Energy: 0.542037877275131
Energy: 0.690400888597571
Energy: 0.6904009572324525
Energy: 0.5578572361630012
Energy: 0.5449255541900533
Energy: 0.5449255753170906
Energy: 0.5774359638421187
Energy: 0.5847033280215275
Energy: 0.5847033283046023
Energy: 0.5446155575037467
Energy: 0.5414752125486652
Energy: 0.5414755685131689
Energy: 0.5648530322832194
Energy: 0.5759919173559782
Energy: 0.575992038658612
Energy: 0.5378821234472004
Energy: 0.5493095580880016
Energy: 0.5493105967031522
Energy: 0.5857700040408285
Energy: 0.5332726488503118
Energy: 0.5332726488586153
Energy: 0.5446156855362316
Energy: 0.5453881383997878
Energy: 0.5453881416498246
Energy: 0.5922023186291265
Energy: 0.542392049034098
Energy: 0.5423921171474066
   minimum gb energy = 0.5332726488503118 eV
   minimum distance = 2.51288958365486 Angstroms
   sigma value = 31

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

Energy: 0.5564467928660541
Energy: 0.5430168634116864
Energy: 0.5430168634097697
Energy: 0.5413326372481227
Energy: 0.5392869846725407
Energy: 0.5392869846639164
Energy: 0.6110659955924546
Energy: 0.644744768989932
Energy: 0.6447447635619425
Energy: 0.5561620241210539
Energy: 0.5313575859271943
Energy: 0.5313581802573076
Energy: 0.5561621205142879
Energy: 0.5659095753276472
Energy: 0.5659095731102858
Energy: 0.524956504356582
Energy: 0.5392869846706241
Energy: 0.5392869846725407
Energy: 0.5014860349948961
Energy: 0.5430168634155194
Energy: 0.5430168634222053
Energy: 0.5014860238611779
Energy: 0.5249564928972124
Energy: 0.5249566086345981
Energy: 0.5529148749158229
Energy: 0.564574439356906
Energy: 0.5645744393597808
Energy: 0.552914910370544
Energy: 0.5645744393549895
Energy: 0.56457443934924
   minimum gb energy = 0.5014860238611779 eV
   minimum distance = 2.58112129442856 Angstroms
   sigma value = 25

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

Energy: 0.5929242849143652
Energy: 0.5794112100065166
Energy: 0.5794041175352205
Energy: 0.5830982220478955
Energy: 0.5565384360951459
Energy: 0.5565370127619675
Energy: 0.6010292130409906
Energy: 0.5454449329754233
Energy: 0.545447476510731
Energy: 0.5566050396226527
Energy: 0.5794041362577202
Energy: 0.5794028405337491
Energy: 0.5568237538124979
Energy: 0.5567043790246985
Energy: 0.556704153926294
Energy: 0.6089581971479098
Energy: 0.555852373224017
Energy: 0.5558523545656433
Energy: 0.5350556874277952
Energy: 0.5794035322677411
Energy: 0.57940510407854
Energy: 0.5781795200927589
Energy: 0.5446896650979938
Energy: 0.5446898712310446
Energy: 0.5665133993101067
Energy: 0.5451772038928855
Energy: 0.5452814547091552
Energy: 0.5198635691431689
Energy: 0.5794033424254235
Energy: 0.5794116764135521
   minimum gb energy = 0.5198635691431689 eV
   minimum distance = 2.49583783420498 Angstroms
   sigma value = 205

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

Energy: 0.6160643260579519
Energy: 0.580899777766877
Energy: 0.5808997376577161
Energy: 0.5459303960176385
Energy: 0.5892397455497332
Energy: 0.5892397692137022
Energy: 0.5919975792391586
Energy: 0.5494136148261192
Energy: 0.5494136422718867
Energy: 0.5492477647817596
Energy: 0.5476368564589722
Energy: 0.5476369159867689
Energy: 0.5820583876160823
Energy: 0.5258782595152743
Energy: 0.5258782597192179
Energy: 0.6278192337644701
Energy: 0.5644548707859609
Energy: 0.564455013962698
Energy: 0.5707759120417809
Energy: 0.5465374017328216
Energy: 0.54653739994546
Energy: 0.5326890322714143
Energy: 0.546537411722592
Energy: 0.5465374117358415
Energy: 0.6048135223080674
Energy: 0.5562087279737571
Energy: 0.5562086574909627
Energy: 0.5762723451823544
Energy: 0.5350929072340452
Energy: 0.5350928538681609
   minimum gb energy = 0.5258782595152743 eV
   minimum distance = 2.5073762690418 Angstroms
   sigma value = 85

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

Energy: 0.605947956771251
Energy: 0.5629475707474937
Energy: 0.5629475708320594
Energy: 0.5322381911990189
Energy: 0.5629475723761523
Energy: 0.5629475724281237
Energy: 0.5830697067080793
Energy: 0.5622648264823749
Energy: 0.5622646326269036
Energy: 0.5726406116249464
Energy: 0.5831877816310302
Energy: 0.5831877857891741
Energy: 0.5835393023922703
Energy: 0.5983911409779923
Energy: 0.598391149548377
Energy: 0.5698716677961264
Energy: 0.5669498788978617
Energy: 0.5669496373620888
Energy: 0.6073806024810469
Energy: 0.5709240468794348
Energy: 0.5709240474398669
Energy: 0.5974242365250941
Energy: 0.5975964289294746
Energy: 0.5975951897062749
Energy: 0.5866145247326477
Energy: 0.5588448007859821
Energy: 0.5588450854836757
Energy: 0.5158760136472397
Energy: 0.5541719358010341
Energy: 0.5541719404958715
   minimum gb energy = 0.5158760136472397 eV
   minimum distance = 2.50173585211478 Angstroms
   sigma value = 89

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

Energy: 0.5323434085228721
Energy: 0.6001197770464288
Energy: 0.600119802868036
Energy: 0.5947494171820078
Energy: 0.5016766437966668
Energy: 0.5016766422082041
Energy: 0.686933480116618
Energy: 0.6001197326833491
Energy: 0.6001197318648241
Energy: 0.501676642227165
Energy: 0.5619908034290367
Energy: 0.5619893787474626
Energy: 0.5919783862610399
Energy: 0.5987450203660104
Energy: 0.5987435949322476
Energy: 0.501676651881106
Energy: 0.5756404860399709
Energy: 0.5756404705356407
Energy: 0.5982477056702167
Energy: 0.6001197401719465
Energy: 0.6001197323220681
Energy: 0.5669210921281177
Energy: 0.5756409229818147
Energy: 0.5756401473846615
Energy: 0.5016766422093892
Energy: 0.6001197327461302
Energy: 0.6001197328018011
Energy: 0.5146101901943003
Energy: 0.5016766421951955
Energy: 0.5016767012014451
   minimum gb energy = 0.5016766421951955 eV
   minimum distance = 2.60943045535738 Angstroms
   sigma value = 17

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

Energy: 0.6080239364729113
Energy: 0.5723017964377991
Energy: 0.5723017443638027
Energy: 0.5579920281841341
Energy: 0.5442100493460239
Energy: 0.5442099335904085
Energy: 0.6096818066883177
Energy: 0.5791732616095697
Energy: 0.5791711166810337
Energy: 0.5790829124430378
Energy: 0.5770696707415669
Energy: 0.5770748177984187
Energy: 0.6088523391550853
Energy: 0.5527412636887917
Energy: 0.5527412245993879
Energy: 0.6019035103053058
Energy: 0.5915625648702486
Energy: 0.5915625029444358
Energy: 0.5724543122881159
Energy: 0.5723018087161381
Energy: 0.5723016350248166
Energy: 0.5579918555464278
Energy: 0.5738815672658432
Energy: 0.5738805957522838
Energy: 0.6199591046630125
Energy: 0.5985268515911425
Energy: 0.5985261312084101
Energy: 0.5477864389816308
Energy: 0.5770679345013864
Energy: 0.5770679818544723
   minimum gb energy = 0.5442099335904085 eV
   minimum distance = 2.49878805482094 Angstroms
   sigma value = 241

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

Energy: 0.5990492333712937
Energy: 0.5939702540432406
Energy: 0.593970019559747
Energy: 0.551035008499124
Energy: 0.554964348815494
Energy: 0.5549641113690871
Energy: 0.6331474370146456
Energy: 0.5976182822270971
Energy: 0.597618185446792
Energy: 0.5510349886116643
Energy: 0.5939698950257609
Energy: 0.5939702549719085
Energy: 0.5803642649362074
Energy: 0.5939701230660037
Energy: 0.5939697997194228
Energy: 0.6469932830429213
Energy: 0.6479294111159158
Energy: 0.6479296921662757
Energy: 0.5637499112120967
Energy: 0.5728184875323447
Energy: 0.5728177748020611
Energy: 0.5510350139845855
Energy: 0.5939699477934406
Energy: 0.5939701652238644
Energy: 0.5367468144108876
Energy: 0.576787312837839
Energy: 0.5767908307662463
Energy: 0.6295228798097218
Energy: 0.6064012050060408
Energy: 0.6064012046479558
   minimum gb energy = 0.5367468144108876 eV
   minimum distance = 2.49611040442203 Angstroms
   sigma value = 65

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

Energy: 0.5786285111579184
Energy: 0.5752151442186401
Energy: 0.5752151114892717
Energy: 0.5154501117285518
Energy: 0.5429657864271499
Energy: 0.5429651508912435
Energy: 0.5526959405474342
Energy: 0.5488351146677241
Energy: 0.5488351338255326
Energy: 0.5668890809083246
Energy: 0.5339847199594694
Energy: 0.5339847539373177
Energy: 0.6946280771246227
Energy: 0.5786254083358976
Energy: 0.5786274156594631
Energy: 0.6588440616800022
Energy: 0.5828218605796156
Energy: 0.5828217014390347
Energy: 0.5154501748506444
Energy: 0.5488351130113618
Energy: 0.5488351206759495
Energy: 0.5555916774385066
Energy: 0.5744798493490729
Energy: 0.5744800902040111
Energy: 0.5786274294255677
Energy: 0.575215112354031
Energy: 0.5752151120259864
Energy: 0.5154501135049907
Energy: 0.622758252621817
Energy: 0.6227582580101653
   minimum gb energy = 0.5154501117285518 eV
   minimum distance = 2.61548539327998 Angstroms
   sigma value = 53

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

Energy: 0.5713907960828811
Energy: 0.5575746343540353
Energy: 0.5575749124550194
Energy: 0.6680902313093001
Energy: 0.5731346033885075
Energy: 0.5731163672124531
Energy: 0.5644815675590066
Energy: 0.5764463025665236
Energy: 0.5764442761071149
Energy: 0.543983586661096
Energy: 0.6479839927078748
Energy: 0.6479834772819386
Energy: 0.7016280331069186
Energy: 0.6227946568686417
Energy: 0.6227990267367185
Energy: 0.5439821522552073
Energy: 0.638735657028939
Energy: 0.6387358288865548
Energy: 0.5644815710543899
Energy: 0.5706666503374825
Energy: 0.570666266716794
Energy: 0.6354190609850089
Energy: 0.5730414392428934
Energy: 0.5730431328152045
Energy: 0.5713908283108589
Energy: 0.5575739412417103
Energy: 0.5575737711191819
Energy: 0.6391279628084713
Energy: 0.580636011171465
Energy: 0.5806401448181252
   minimum gb energy = 0.5439821522552073 eV
   minimum distance = 2.51112721207136 Angstroms
   sigma value = 109

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

Energy: 0.6048891305582456
Energy: 0.6004863516716322
Energy: 0.6004878649626757
Energy: 0.5533726217317908
Energy: 0.5664069219267371
Energy: 0.5664071915200017
Energy: 0.5476258424514557
Energy: 0.5774929100262677
Energy: 0.577492919561531
Energy: 0.5447590121230004
Energy: 0.597278512415813
Energy: 0.5972820090028559
Energy: 0.680147182200104
Energy: 0.6048889425210124
Energy: 0.6048893881372337
Energy: 0.5447590067846101
Energy: 0.5972772000143736
Energy: 0.5972773615899575
Energy: 0.5476254061930685
Energy: 0.5774929116439013
Energy: 0.5774929116668923
Energy: 0.5533722960549097
Energy: 0.566406885763564
Energy: 0.5664089915821274
Energy: 0.6048889532885813
Energy: 0.6004866109623084
Energy: 0.6004867166851656
Energy: 0.5533689766951413
Energy: 0.5664076802966994
Energy: 0.5664068526665241
   minimum gb energy = 0.5447590067846101 eV
   minimum distance = 2.50545847222775 Angstroms
   sigma value = 185

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

Energy: 0.48122385466766826
Energy: 0.48122385472943824
Energy: 0.48122387151439516
Energy: 0.5938169673045808
Energy: 0.48701229855237915
Energy: 0.4870122987531403
Energy: 0.4925594945774864
Energy: 0.5326289507795355
Energy: 0.532627342951897
Energy: 0.5913343266507618
Energy: 0.4870122985909722
Energy: 0.4870123002728777
Energy: 0.48122386350958546
Energy: 0.4812241520327056
Energy: 0.4812238848938929
Energy: 0.5931403284236747
Energy: 0.48701230508226007
Energy: 0.48701230070533763
Energy: 0.492559549905523
Energy: 0.5326266262480475
Energy: 0.5326264421337021
Energy: 0.5913356936923554
Energy: 0.5115802116303704
Energy: 0.5115802116828696
Energy: 0.48122385949250185
Energy: 0.4812238546630329
Energy: 0.4812238546939003
Energy: 0.5931405540989076
Energy: 0.5115802116627829
Energy: 0.5115802115871068
   minimum gb energy = 0.4812238546630329 eV
   minimum distance = 2.5905228807863 Angstroms
   sigma value = 9

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

Energy: 0.5773491313010999
Energy: 0.5755170652112435
Energy: 0.5755173190618287
Energy: 0.691037070367584
Energy: 0.5781656107169456
Energy: 0.5781673637920469
Energy: 0.5640618139275759
Energy: 0.583089696276827
Energy: 0.5830905769403963
Energy: 0.5640616510637322
Energy: 0.5709820137179996
Energy: 0.5709820193361775
Energy: 0.5650032234952528
Energy: 0.6222831156612654
Energy: 0.622280328547716
Energy: 0.56589423442673
Energy: 0.5802009160792063
Energy: 0.5801929592657717
Energy: 0.7147688221860331
Energy: 0.5934048743208222
Energy: 0.5934011362740954
Energy: 0.5709820144949598
Energy: 0.6219102448631478
Energy: 0.6219095386474276
Energy: 0.6921546072543813
Energy: 0.5766566987002149
Energy: 0.5766567058099243
Energy: 0.5658944002677209
Energy: 0.5739227579509697
Energy: 0.5739229800254609
   minimum gb energy = 0.5640616510637322 eV
   minimum distance = 2.49731861583716 Angstroms
   sigma value = 221

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

Energy: 0.5884633492093243
Energy: 0.591423350282551
Energy: 0.5914227663578286
Energy: 0.527876277851524
Energy: 0.589023570173716
Energy: 0.5890214046622736
Energy: 0.519064311847213
Energy: 0.567146029801372
Energy: 0.5671449564230342
Energy: 0.5324019723982747
Energy: 0.6231823106939937
Energy: 0.623183394398378
Energy: 0.5800330291383546
Energy: 0.5884633450746402
Energy: 0.5884633902714277
Energy: 0.6438171975184953
Energy: 0.5818456621217905
Energy: 0.5818459582344712
Energy: 0.7238343391278825
Energy: 0.5190643105127981
Energy: 0.5190643005568774
Energy: 0.6458832013530259
Energy: 0.5147545867584795
Energy: 0.5147545867972833
Energy: 0.6773124939881149
Energy: 0.5899103182516942
Energy: 0.5899101252846232
Energy: 0.6426528439403864
Energy: 0.584854568674947
Energy: 0.5848485407331141
   minimum gb energy = 0.5147545867584795 eV
   minimum distance = 2.56866061596573 Angstroms
   sigma value = 137

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

Energy: 0.5374705619688604
Energy: 0.6243976081796451
Energy: 0.6243988575643293
Energy: 0.6961791770947675
Energy: 0.5495535271629391
Energy: 0.549557146226797
Energy: 0.6179920115381717
Energy: 0.6252965265921895
Energy: 0.6252949907654213
Energy: 0.5457380445255974
Energy: 0.6281020087688944
Energy: 0.628102814733534
Energy: 0.6173525184111183
Energy: 0.6198378047789176
Energy: 0.6198363431631253
Energy: 0.5457380256214479
Energy: 0.5629895085435047
Energy: 0.562991165081065
Energy: 0.7147650894480115
Energy: 0.6421271304326277
Energy: 0.6421292166844451
Energy: 0.545738059047687
Energy: 0.5859212935676348
Energy: 0.5859212052804255
Energy: 0.6632157748644945
Energy: 0.5563292777596797
Energy: 0.5563292925481341
Energy: 0.5457385012947855
Energy: 0.5563293069467503
Energy: 0.556329291116778
   minimum gb energy = 0.5374705619688604 eV
   minimum distance = 2.56348244425591 Angstroms
   sigma value = 73

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

Energy: 0.5899800125117229
Energy: 0.594817213962936
Energy: 0.5948166975258979
Energy: 0.5691410882804608
Energy: 0.5825703323484508
Energy: 0.5825870810628531
Energy: 0.5743484247989753
Energy: 0.6121925900835512
Energy: 0.612192133662933
Energy: 0.5303966040606807
Energy: 0.5948166732113315
Energy: 0.5948167123989542
Energy: 0.6060656941730111
Energy: 0.5717353026181163
Energy: 0.5717374670587438
Energy: 0.5395087362399889
Energy: 0.5802643160732108
Energy: 0.5802652034529148
Energy: 0.536707173874618
Energy: 0.6128333947834553
Energy: 0.612833595342759
Energy: 0.5710269662409896
Energy: 0.5768553806742961
Energy: 0.5768563542325376
Energy: 0.5609281776319204
Energy: 0.5681115394352355
Energy: 0.5681115382163866
Energy: 0.536707110104511
Energy: 0.6139327737874097
Energy: 0.6139289331609918
   minimum gb energy = 0.5303966040606807 eV
   minimum distance = 2.5632996013143 Angstroms
   sigma value = 97

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

Energy: 0.5721039038576211
Energy: 0.5823591585937417
Energy: 0.5823589805123206
Energy: 0.5554321716048977
Energy: 0.5816990500943858
Energy: 0.5816990500780539
Energy: 0.579902730753926
Energy: 0.5884626768059253
Energy: 0.5884626770952398
Energy: 0.5455772169241193
Energy: 0.6001561183405979
Energy: 0.6001561102100171
Energy: 0.6970567338379517
Energy: 0.5262163274674755
Energy: 0.5262163263229204
Energy: 0.6336497105772693
Energy: 0.5868002226516956
Energy: 0.5868007187252404
Energy: 0.6013540730168228
Energy: 0.5332733065560344
Energy: 0.5332734178377655
Energy: 0.5932942698372604
Energy: 0.5806928998901626
Energy: 0.5806927940844546
Energy: 0.5996992615202175
Energy: 0.5966017083899332
Energy: 0.5966015941089828
Energy: 0.5508156170198716
Energy: 0.6017295980109614
Energy: 0.6017296566156706
   minimum gb energy = 0.5262163263229204 eV
   minimum distance = 2.49666143556426 Angstroms
   sigma value = 7

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

Energy: 0.5477288283335884
Energy: 0.5528748181003428
Energy: 0.5528734579900855
Energy: 0.540401066427079
Energy: 0.6113087588784595
Energy: 0.6113080462323495
Energy: 0.6596880932987708
Energy: 0.5919968357101436
Energy: 0.5919962052688269
Energy: 0.5672026952026464
Energy: 0.5806100051117274
Energy: 0.5806080023258223
Energy: 0.5550948565026993
Energy: 0.6520012214203983
Energy: 0.6520028775224861
Energy: 0.5550929623535128
Energy: 0.6022429716025599
Energy: 0.6022412428595917
Energy: 0.5747835589761078
Energy: 0.5409523644086902
Energy: 0.5409523574531793
Energy: 0.7030302696110504
Energy: 0.5458277300210159
Energy: 0.5458280116660373
Energy: 0.5747835655164693
Energy: 0.5851090029994325
Energy: 0.5851080609323771
Energy: 0.5552007158342898
Energy: 0.6030382665322775
Energy: 0.603038151243261
   minimum gb energy = 0.540401066427079 eV
   minimum distance = 2.48990436045141 Angstroms
   sigma value = 169

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

Energy: 0.5450523357954168
Energy: 0.5554982580630999
Energy: 0.5554984490545866
Energy: 0.5856601466255252
Energy: 0.5418091254998785
Energy: 0.5418089380034515
Energy: 0.607351037126973
Energy: 0.5875961529736091
Energy: 0.5875961900590002
Energy: 0.5522972302496627
Energy: 0.5926970010632603
Energy: 0.5926971383072301
Energy: 0.5450523355241456
Energy: 0.5875952010443414
Energy: 0.5875961809833997
Energy: 0.6204896024253891
Energy: 0.5543862727276375
Energy: 0.5543841626943582
Energy: 0.5461588639054489
Energy: 0.5914478966482168
Energy: 0.5914478420009731
Energy: 0.5461584781170378
Energy: 0.5833429981289674
Energy: 0.5833428915266615
Energy: 0.6902508534828578
Energy: 0.5708369928474699
Energy: 0.5708369261124998
Energy: 0.5522978997074746
Energy: 0.6086763681372739
Energy: 0.6086740225182229
   minimum gb energy = 0.5418089380034515 eV
   minimum distance = 2.49769982785191 Angstroms
   sigma value = 29

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

Energy: 0.5542665379146701
Energy: 0.56304223897482
Energy: 0.563042290476975
Energy: 0.5630507518859511
Energy: 0.5989903638893098
Energy: 0.5989855472674214
Energy: 0.6488228754747858
Energy: 0.5507701083602491
Energy: 0.5507701729355414
Energy: 0.5555933027522754
Energy: 0.6093796563573154
Energy: 0.6093780856688389
Energy: 0.5650190621933961
Energy: 0.6419838784875144
Energy: 0.6419840021580197
Energy: 0.6011632972072218
Energy: 0.6004654915621676
Energy: 0.6004656129511068
Energy: 0.5525040243176872
Energy: 0.6142927539849236
Energy: 0.6142903233408309
Energy: 0.5650184561940155
Energy: 0.6649987926619136
Energy: 0.6650011777123892
Energy: 0.5829613475698564
Energy: 0.5960138288868198
Energy: 0.5960156737038267
Energy: 0.6628825577687835
Energy: 0.609815908468963
Energy: 0.609815913121395
   minimum gb energy = 0.5507701083602491 eV
   minimum distance = 2.49647868492547 Angstroms
   sigma value = 97

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

Energy: 0.5591239039093249
Energy: 0.5616657596055405
Energy: 0.5616649163793643
Energy: 0.5783982534497406
Energy: 0.5868701247399534
Energy: 0.5868701166858991
Energy: 0.5897901442520451
Energy: 0.5693951076006161
Energy: 0.5693933369625631
Energy: 0.5630004127862158
Energy: 0.5828616029645078
Energy: 0.5828623618841662
Energy: 0.6878827634462253
Energy: 0.5492918963910337
Energy: 0.5492912763382638
Energy: 0.5968609312105955
Energy: 0.5620547178374772
Energy: 0.5620551723652634
Energy: 0.5673190535631445
Energy: 0.5625633553969009
Energy: 0.5625633468925532
Energy: 0.5693196732976266
Energy: 0.5449710556512251
Energy: 0.544970946188178
Energy: 0.5706163953397234
Energy: 0.6250058119662398
Energy: 0.624710764511937
Energy: 0.5427400471688334
Energy: 0.5631995973393005
Energy: 0.5631994461168773
   minimum gb energy = 0.5427400471688334 eV
   minimum distance = 2.55052448739405 Angstroms
   sigma value = 73

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

Energy: 0.5574001055341803
Energy: 0.5624166190842042
Energy: 0.5624160309776781
Energy: 0.626602982485269
Energy: 0.5575264997411867
Energy: 0.5575256670616163
Energy: 0.5538531382617725
Energy: 0.5852398321234312
Energy: 0.5852388086556287
Energy: 0.6896590787189084
Energy: 0.5555267308383245
Energy: 0.5555267822108529
Energy: 0.5804082094534175
Energy: 0.5859644597930301
Energy: 0.5859646675504229
Energy: 0.6244675189905978
Energy: 0.5457500969328501
Energy: 0.545750108755727
Energy: 0.5650186661903654
Energy: 0.5995232225832502
Energy: 0.5995195580769507
Energy: 0.5684485967215016
Energy: 0.5503169400007986
Energy: 0.5503224624640557
Energy: 0.5696396668578396
Energy: 0.5632338565840906
Energy: 0.5632306114563697
Energy: 0.6019314010418904
Energy: 0.5600931935400456
Energy: 0.5600950987479011
   minimum gb energy = 0.5457500969328501 eV
   minimum distance = 2.55639600221517 Angstroms
   sigma value = 205

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

Energy: 0.5541706050589512
Energy: 0.562154879986352
Energy: 0.5621548769349558
Energy: 0.5588021327220196
Energy: 0.5812124608737654
Energy: 0.5812113478702394
Energy: 0.5639816474091999
Energy: 0.5842972728944473
Energy: 0.5842965961772772
Energy: 0.5696802710852158
Energy: 0.5832647145091188
Energy: 0.5832652353659847
Energy: 0.5695703645765409
Energy: 0.5879216566648139
Energy: 0.5879252384969327
Energy: 0.5865158551947298
Energy: 0.5825788622628087
Energy: 0.5825788642632522
Energy: 0.6232356009536163
Energy: 0.5530595404411708
Energy: 0.5530595365178895
Energy: 0.6307784621933661
Energy: 0.5493175820211178
Energy: 0.5493175693209702
Energy: 0.5727001402065969
Energy: 0.5493175808264654
Energy: 0.5493175796273855
Energy: 0.6101553304802291
Energy: 0.5580703806707331
Energy: 0.5580688915345288
   minimum gb energy = 0.5493175693209702 eV
   minimum distance = 2.55054414939133 Angstroms
   sigma value = 137

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

Energy: 0.5229983151829499
Energy: 0.5550552094761007
Energy: 0.5550552094841706
Energy: 0.5080439139230758
Energy: 0.5229983151879908
Energy: 0.5229983151849116
Energy: 0.5846674927243991
Energy: 0.5232922237830687
Energy: 0.5232922237758677
Energy: 0.5229983151798958
Energy: 0.5080492463841836
Energy: 0.5080492463785221
Energy: 0.5229983151812119
Energy: 0.5229983151877672
Energy: 0.5229983151805662
Energy: 0.5229983151816339
Energy: 0.5232922237863463
Energy: 0.5232922237826465
Energy: 0.5080544968782403
Energy: 0.5414932512659862
Energy: 0.5414932512550604
Energy: 0.5229983151829499
Energy: 0.5229983151849116
Energy: 0.522998315184266
Energy: 0.522998315183397
Energy: 0.5229983151851352
Energy: 0.5229983152048014
Energy: 0.5432394321120364
Energy: 0.5414932512609704
Energy: 0.5414932512690405
   minimum gb energy = 0.5080439139230758 eV
   minimum distance = 2.6092234844612 Angstroms
   sigma value = 5

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

Energy: 0.5316884064915288
Energy: 0.5553110412011776
Energy: 0.5553110435115545
Energy: 0.5246846533162134
Energy: 0.5860923118191773
Energy: 0.5860922238330716
Energy: 0.5222002612195334
Energy: 0.5519302830323477
Energy: 0.5519304323729346
Energy: 0.5226264083847928
Energy: 0.5639977797888635
Energy: 0.564001279128886
Energy: 0.5764877181010662
Energy: 0.5501786668910233
Energy: 0.5501812140020877
Energy: 0.6225645051111387
Energy: 0.5220159419987634
Energy: 0.5220149048577479
Energy: 0.5220722290461611
Energy: 0.5324455421661007
Energy: 0.5324455421718229
Energy: 0.5325062412562278
Energy: 0.5271886905031259
Energy: 0.5271854093754009
Energy: 0.5319899569212773
Energy: 0.5611178713255487
Energy: 0.5611179203951753
Energy: 0.5332486220815488
Energy: 0.609843596784358
Energy: 0.6098433172434211
   minimum gb energy = 0.5220149048577479 eV
   minimum distance = 2.5824773424486 Angstroms
   sigma value = 289

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

Energy: 0.5283152122116748
Energy: 0.5545750078984882
Energy: 0.5545753006552132
Energy: 0.5208447812830832
Energy: 0.5185202649561836
Energy: 0.5185213415481805
Energy: 0.5652181558472055
Energy: 0.517783938997027
Energy: 0.5177823952407323
Energy: 0.5215838942877716
Energy: 0.5807232216599433
Energy: 0.5807232213215524
Energy: 0.5215835628751094
Energy: 0.5826692992082675
Energy: 0.5826710824225498
Energy: 0.5601195502384866
Energy: 0.540967047187176
Energy: 0.5409668893799432
Energy: 0.5181518120238935
Energy: 0.5630076022690002
Energy: 0.5630075559987899
Energy: 0.5333410197527552
Energy: 0.6262518137935621
Energy: 0.6262518263388391
Energy: 0.5597612375473473
Energy: 0.523742979880801
Energy: 0.5237475181887736
Energy: 0.5926492444721422
Energy: 0.5204191543377261
Energy: 0.5204201919095826
   minimum gb energy = 0.5177823952407323 eV
   minimum distance = 2.57686506711332 Angstroms
   sigma value = 109

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

Energy: 0.524144821674
Energy: 0.5536119883797458
Energy: 0.5536132236181385
Energy: 0.5285796701071934
Energy: 0.5433226138434188
Energy: 0.5433226139693034
Energy: 0.5285662001913822
Energy: 0.5498251559343087
Energy: 0.5498257847444985
Energy: 0.5176480637295534
Energy: 0.5561832897319006
Energy: 0.5561857252580655
Energy: 0.5238463731893228
Energy: 0.5552759297894889
Energy: 0.555275383257882
Energy: 0.5842601974308593
Energy: 0.5149575644711339
Energy: 0.5149575734481768
Energy: 0.5145319123508584
Energy: 0.5614049380484443
Energy: 0.5614049360722597
Energy: 0.5150619072302026
Energy: 0.5877890368741915
Energy: 0.5877891086228605
Energy: 0.5268390573111255
Energy: 0.5176512315218018
Energy: 0.5176492314413884
Energy: 0.5116481023680967
Energy: 0.5291754973063264
Energy: 0.5291754973417768
   minimum gb energy = 0.5116481023680967 eV
   minimum distance = 2.55220843625023 Angstroms
   sigma value = 157

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

Energy: 0.5187375163059832
Energy: 0.5520987368916037
Energy: 0.552096741379954
Energy: 0.5130749840163948
Energy: 0.5804560884916694
Energy: 0.5804567077173141
Energy: 0.5028390520072262
Energy: 0.5121561547593717
Energy: 0.5121566463563998
Energy: 0.5130754140471443
Energy: 0.5218447384204468
Energy: 0.521844738423769
Energy: 0.5766145515457547
Energy: 0.5626951564414983
Energy: 0.5626942669447695
Energy: 0.6418548928690601
Energy: 0.5042290253229855
Energy: 0.5042292402785953
Energy: 0.5766414342631835
Energy: 0.5055454764276727
Energy: 0.50554436434272
Energy: 0.5029465995992007
Energy: 0.5626937638874087
Energy: 0.5626946992738544
Energy: 0.5271569589528616
Energy: 0.5094872965026747
Energy: 0.5094870948199768
Energy: 0.5076125798692974
Energy: 0.5771665623001828
Energy: 0.5771652763833057
   minimum gb energy = 0.5028390520072262 eV
   minimum distance = 2.58275236553766 Angstroms
   sigma value = 53

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

Energy: 0.5128600407960041
Energy: 0.5279316467556097
Energy: 0.5279313674918835
Energy: 0.5652368455386251
Energy: 0.5040865942587812
Energy: 0.5040866855188658
Energy: 0.5070818065336764
Energy: 0.6675628010260968
Energy: 0.667562353424729
Energy: 0.6347713420287937
Energy: 0.5054574324516742
Energy: 0.5054583219382701
Energy: 0.5121675081596775
Energy: 0.6061777844767037
Energy: 0.6061773084430643
Energy: 0.6811612918763149
Energy: 0.5200340295436594
Energy: 0.5200335628027001
Energy: 0.5121683850696918
Energy: 0.6061771089968406
Energy: 0.6061774359130069
Energy: 0.5983186786213166
Energy: 0.538304204099471
Energy: 0.5383057930820635
Energy: 0.5054566884890417
Energy: 0.6045117451838232
Energy: 0.6045113915824579
Energy: 0.6164326192356963
Energy: 0.5025423536076961
Energy: 0.5025433561896997
   minimum gb energy = 0.5025423536076961 eV
   minimum distance = 2.58137355290764 Angstroms
   sigma value = 1

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

Energy: 0.5241305964382906
Energy: 0.5219737761285581
Energy: 0.5219724583650835
Energy: 0.5273818000814858
Energy: 0.5117802625508754
Energy: 0.5117798420024736
Energy: 0.504475570458305
Energy: 0.5077845759728978
Energy: 0.5077845733640047
Energy: 0.5062893233937126
Energy: 0.5892048165054802
Energy: 0.5892046850005733
Energy: 0.5641880966026378
Energy: 0.5334999788786431
Energy: 0.5334996222723765
Energy: 0.5038725222523548
Energy: 0.5978516750203915
Energy: 0.5978514695466562
Energy: 0.5859982670757411
Energy: 0.5460376619237844
Energy: 0.5460365512779083
Energy: 0.4959229468809711
Energy: 0.5917705960172226
Energy: 0.5917705565281813
Energy: 0.49683866606049226
Energy: 0.5616509705903973
Energy: 0.5616509978815719
Energy: 0.5147485204062888
Energy: 0.5211392455631422
Energy: 0.5211390667819062
   minimum gb energy = 0.4959229468809711 eV
   minimum distance = 2.5560522632645 Angstroms
   sigma value = 3

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

Energy: 0.5021687970079978
Energy: 0.5021688063328835
Energy: 0.5021688155639747
Energy: 0.475744507735318
Energy: 0.5223283988662056
Energy: 0.5223283988670435
Energy: 0.47894721116621686
Energy: 0.6380615427329339
Energy: 0.6380616040093867
Energy: 0.475744508850989
Energy: 0.5924464244336539
Energy: 0.5924464319518733
Energy: 0.5021688145094368
Energy: 0.5017843387801135
Energy: 0.5017860083954444
Energy: 0.5494146906726497
Energy: 0.47783102403301203
Energy: 0.47783220228254164
Energy: 0.5265664922012289
Energy: 0.47783127483441673
Energy: 0.47783093223811396
Energy: 0.5021687998742298
Energy: 0.47783083993562
Energy: 0.47783103950079214
Energy: 0.47574452418726615
Energy: 0.5474805854993441
Energy: 0.5474818688957915
Energy: 0.4789473274053599
Energy: 0.6380624268432714
Energy: 0.6380615811783531
   minimum gb energy = 0.475744507735318 eV
   minimum distance = 2.49814453771273 Angstroms
   sigma value = 17

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

Energy: 0.535031591195021
Energy: 0.5125841591680828
Energy: 0.5125843443477571
Energy: 0.487029218974546
Energy: 0.5266098009036256
Energy: 0.5266056943422565
Energy: 0.4888565687387688
Energy: 0.5626640355519726
Energy: 0.5626636317317211
Energy: 0.5443981951420476
Energy: 0.6102534494159567
Energy: 0.6102534982108588
Energy: 0.5722938084333238
Energy: 0.48562446846180546
Energy: 0.4856250414273235
Energy: 0.5238095904811678
Energy: 0.5296404558871126
Energy: 0.529636770305672
Energy: 0.5294911788954163
Energy: 0.4918063746169937
Energy: 0.4918079170459863
Energy: 0.484596833949216
Energy: 0.5924335766736852
Energy: 0.5924344448924788
Energy: 0.48940527305669007
Energy: 0.5901558781000297
Energy: 0.5901574797846288
Energy: 0.4849938471319265
Energy: 0.6138386281232092
Energy: 0.6138674703429313
   minimum gb energy = 0.484596833949216 eV
   minimum distance = 2.56007725000375 Angstroms
   sigma value = 233

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

Energy: 0.5033117876105465
Energy: 0.49304724039692716
Energy: 0.4930476493838082
Energy: 0.4835184389773581
Energy: 0.5527337373795529
Energy: 0.5527350424167519
Energy: 0.5153131619534143
Energy: 0.490535840252466
Energy: 0.4905358166707968
Energy: 0.5123179521095893
Energy: 0.4831387915613084
Energy: 0.4831391107048357
Energy: 0.487967659417439
Energy: 0.5500282998993056
Energy: 0.5500284757829648
Energy: 0.4869326348843477
Energy: 0.5069779626465476
Energy: 0.5069779521409034
Energy: 0.48393751306722177
Energy: 0.49858245696085973
Energy: 0.49858125365279476
Energy: 0.5701953007892605
Energy: 0.501427777816666
Energy: 0.5014286177863442
Energy: 0.49186203949792195
Energy: 0.4918940003289994
Energy: 0.49189424040767066
Energy: 0.48351862998657613
Energy: 0.5585275965772832
Energy: 0.558528251877978
   minimum gb energy = 0.4831387915613084 eV
   minimum distance = 2.48002120195116 Angstroms
   sigma value = 89

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

Energy: 0.5242789501169649
Energy: 0.49670089627550734
Energy: 0.4967009467392109
Energy: 0.5819413891258236
Energy: 0.5163946970015834
Energy: 0.5163955438488205
Energy: 0.4805741997130889
Energy: 0.5681590695693218
Energy: 0.5681572328636192
Energy: 0.5337399446594339
Energy: 0.4754728337671277
Energy: 0.47547334559956833
Energy: 0.47279850807872886
Energy: 0.6381116685961905
Energy: 0.6381117380208278
Energy: 0.5999098727767672
Energy: 0.5198805851403259
Energy: 0.5198805856564905
Energy: 0.4805382584550989
Energy: 0.5739428596952052
Energy: 0.5739425143097275
Energy: 0.6221356872340614
Energy: 0.5337867734074576
Energy: 0.5337866435777268
Energy: 0.47867359174189783
Energy: 0.5739428491627007
Energy: 0.5739424612442148
Energy: 0.6115129645696727
Energy: 0.5340662873857094
Energy: 0.5340663179980434
   minimum gb energy = 0.47279850807872886 eV
   minimum distance = 2.48293889173259 Angstroms
   sigma value = 85

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

Energy: 0.49390501732324393
Energy: 0.486972744217942
Energy: 0.48697208793556984
Energy: 0.4758703644563616
Energy: 0.5816085716321222
Energy: 0.5816034812129321
Energy: 0.477966041976323
Energy: 0.4786537822994362
Energy: 0.47865374443317776
Energy: 0.5063771778402293
Energy: 0.48663941033254415
Energy: 0.48664028413569377
Energy: 0.4726611024203996
Energy: 0.47537001911496796
Energy: 0.47536807529664415
Energy: 0.4773694796080987
Energy: 0.6162664703573033
Energy: 0.6162651164489437
Energy: 0.47496790013121853
Energy: 0.5086625402785244
Energy: 0.5086626254424367
Energy: 0.47228649981484505
Energy: 0.61133781456623
Energy: 0.6113402258125118
Energy: 0.5000138117216884
Energy: 0.4882724252677457
Energy: 0.48827262960271306
Energy: 0.570522820423059
Energy: 0.5466421569206823
Energy: 0.5466421289495129
   minimum gb energy = 0.47228649981484505 eV
   minimum distance = 2.50187807799283 Angstroms
   sigma value = 69

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

Energy: 0.4400556204111239
Energy: 0.44005562040841356
Energy: 0.44005562288728894
Energy: 0.4485321364003987
Energy: 0.5927530590193263
Energy: 0.592753058499189
Energy: 0.46192631176080723
Energy: 0.4531734964331049
Energy: 0.4531734954794994
Energy: 0.4485321557381518
Energy: 0.45317349449336997
Energy: 0.45317349359123
Energy: 0.4485321364017538
Energy: 0.4531734934855886
Energy: 0.4531734934761025
Energy: 0.6474715047724346
Energy: 0.44853213640310896
Energy: 0.44853213936011144
Energy: 0.4485321364071745
Energy: 0.47432641818541416
Energy: 0.4743264181637315
Energy: 0.4400556206874545
Energy: 0.5131964427961475
Energy: 0.5131966495554483
Energy: 0.6114884978486969
Energy: 0.453173514740039
Energy: 0.45317351928326294
Energy: 0.4485321364153054
Energy: 0.4531734937876366
Energy: 0.45317349404231533
   minimum gb energy = 0.44005562040841356 eV
   minimum distance = 2.59912121443492 Angstroms
   sigma value = 13

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

Energy: 0.5410400972881472
Energy: 0.46052701173364763
Energy: 0.46052730718330376
Energy: 0.4477851122298306
Energy: 0.5938587260601618
Energy: 0.5938578548550923
Energy: 0.45424624868976865
Energy: 0.5206951847287492
Energy: 0.5206964231252235
Energy: 0.4499187210062291
Energy: 0.5712553508026607
Energy: 0.5712553505249873
Energy: 0.4457560715275737
Energy: 0.4520732716603288
Energy: 0.4520730154715831
Energy: 0.4439601023131761
Energy: 0.6025802144711132
Energy: 0.602580096700715
Energy: 0.4435794948347145
Energy: 0.49292846820690206
Energy: 0.49292854408371883
Energy: 0.5987153291498255
Energy: 0.4937658817399207
Energy: 0.4937662885239887
Energy: 0.538597348074483
Energy: 0.5364780864917115
Energy: 0.5364780938074368
Energy: 0.5453662889332075
Energy: 0.4911709687500556
Energy: 0.49117098406164295
   minimum gb energy = 0.4435794948347145 eV
   minimum distance = 2.50847805605946 Angstroms
   sigma value = 125

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

Energy: 0.4641614278550016
Energy: 0.45507448693835667
Energy: 0.4550745030683383
Energy: 0.4558309314879773
Energy: 0.45176568963037533
Energy: 0.45176336253400307
Energy: 0.4436866295235917
Energy: 0.44441767070960164
Energy: 0.4444176701950515
Energy: 0.4344892874676979
Energy: 0.5360536874360563
Energy: 0.5360542058494296
Energy: 0.5749561622897411
Energy: 0.43841910060565054
Energy: 0.43841750111673156
Energy: 0.44368664344497444
Energy: 0.5749874762694417
Energy: 0.574987377242925
Energy: 0.4398819681714696
Energy: 0.4969952434169461
Energy: 0.4969957904933081
Energy: 0.6050458332979928
Energy: 0.443404145023841
Energy: 0.4434042008142104
Energy: 0.44379619549219695
Energy: 0.4466786155395897
Energy: 0.44667841236794753
Energy: 0.436401865105643
Energy: 0.5411745228516214
Energy: 0.5411736694619735
   minimum gb energy = 0.4344892874676979 eV
   minimum distance = 2.50695523147416 Angstroms
   sigma value = 37

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

Energy: 0.4515053133334659
Energy: 0.43417294764394787
Energy: 0.43417387886880326
Energy: 0.4310203111111037
Energy: 0.5061000856699592
Energy: 0.5060996228681628
Energy: 0.4340265232207119
Energy: 0.44076640435511627
Energy: 0.4407662305448343
Energy: 0.4341738277385916
Energy: 0.44186865150160637
Energy: 0.4418674405837814
Energy: 0.5156656481717098
Energy: 0.522511016463882
Energy: 0.5225108908412112
Energy: 0.43102029508302536
Energy: 0.44076614386167806
Energy: 0.4407661251061418
Energy: 0.4371544563295624
Energy: 0.462825697562527
Energy: 0.46282497349006196
Energy: 0.5945030149872903
Energy: 0.52251353729881
Energy: 0.5225112763844666
Energy: 0.43625836249620853
Energy: 0.4341361497671527
Energy: 0.4341363144230583
Energy: 0.4371543948135248
Energy: 0.591317379153419
Energy: 0.5913177455017128
   minimum gb energy = 0.43102029508302536 eV
   minimum distance = 2.51396445408457 Angstroms
   sigma value = 37

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

Energy: 0.5323390127649218
Energy: 0.42944386976600657
Energy: 0.42944529076287413
Energy: 0.42395513997675865
Energy: 0.432339020891669
Energy: 0.43233894025201236
Energy: 0.42220226919837534
Energy: 0.6064888054680887
Energy: 0.6064886147015213
Energy: 0.4236010651447991
Energy: 0.43040098859145315
Energy: 0.4304005226694929
Energy: 0.4325767983207707
Energy: 0.4765431806336682
Energy: 0.47654143906526436
Energy: 0.5272194021534009
Energy: 0.4807545327884103
Energy: 0.4807559695134855
Energy: 0.4261211854595367
Energy: 0.5823125780807906
Energy: 0.5823154896108594
Energy: 0.6166031575275747
Energy: 0.4261284156455123
Energy: 0.4261295450457312
Energy: 0.42839126394805727
Energy: 0.515752868296576
Energy: 0.5157502963104664
Energy: 0.4222028180350906
Energy: 0.5044779014778037
Energy: 0.5044781700911742
   minimum gb energy = 0.42220226919837534 eV
   minimum distance = 2.56868877180477 Angstroms
   sigma value = 185

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

Energy: 0.5098448157863299
Energy: 0.4377000454861801
Energy: 0.43770039083209766
Energy: 0.42858189301207916
Energy: 0.5046824176364785
Energy: 0.5046825258892449
Energy: 0.5039862420964439
Energy: 0.46850478428608355
Energy: 0.4685052752493383
Energy: 0.4291490844898298
Energy: 0.5210720159486102
Energy: 0.5210727798516821
Energy: 0.4861684152226642
Energy: 0.460124077169134
Energy: 0.460124153286608
Energy: 0.425464739391926
Energy: 0.6282667846603979
Energy: 0.6282665782006812
Energy: 0.4256575323424456
Energy: 0.5696053020384397
Energy: 0.5696037644783404
Energy: 0.6134152185923517
Energy: 0.465686231407816
Energy: 0.465686115371381
Energy: 0.42781818628567114
Energy: 0.5510411952824102
Energy: 0.5510418759339217
Energy: 0.5039835076632808
Energy: 0.5325851608376849
Energy: 0.5325852560592598
   minimum gb energy = 0.425464739391926 eV
   minimum distance = 2.48801190033644 Angstroms
   sigma value = 173

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

Energy: 0.41383708462398305
Energy: 0.41416695314674584
Energy: 0.41416695358531946
Energy: 0.4026580383915071
Energy: 0.6857705228834141
Energy: 0.6857714133877467
Energy: 0.3995841733944396
Energy: 0.6610985350448847
Energy: 0.6610985277160162
Energy: 0.4098706780387047
Energy: 0.6851578132505002
Energy: 0.6851586149167613
Energy: 0.3995841780156426
Energy: 0.5408019241549074
Energy: 0.540801818925304
Energy: 0.409870678026978
Energy: 0.5503812877533187
Energy: 0.5503810383339045
Energy: 0.3947918273884286
Energy: 0.5503803555517967
Energy: 0.5503807773883342
Energy: 0.41383708894333493
Energy: 0.5503798819727186
Energy: 0.5503796653353246
Energy: 0.3947918211701974
Energy: 0.6742555827050984
Energy: 0.6742563521265238
Energy: 0.39958418229885945
Energy: 0.5386701548832106
Energy: 0.5386896226469388
   minimum gb energy = 0.3947918211701974 eV
   minimum distance = 2.51858215163669 Angstroms
   sigma value = 25

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

Energy: 0.4907645061406306
Energy: 0.40772953139736484
Energy: 0.4077299322532204
Energy: 0.39877709401839234
Energy: 0.5234754692930456
Energy: 0.5234808360569388
Energy: 0.5489576158852195
Energy: 0.44383906988666616
Energy: 0.44383907366191494
Energy: 0.39455615444157666
Energy: 0.512253230486127
Energy: 0.5122535721368267
Energy: 0.40332629311638685
Energy: 0.5061701389273123
Energy: 0.5061697931222845
Energy: 0.4119985525907778
Energy: 0.4282973844600535
Energy: 0.428297383993415
Energy: 0.39683701515326775
Energy: 0.4834874122340311
Energy: 0.48348741235880205
Energy: 0.611204967496228
Energy: 0.43949852333102585
Energy: 0.4394985649088119
Energy: 0.39819320819048676
Energy: 0.5566540577432326
Energy: 0.5566520104517767
Energy: 0.3990991462560579
Energy: 0.4142749052494587
Energy: 0.41427630096050466
   minimum gb energy = 0.39455615444157666 eV
   minimum distance = 2.57606576459038 Angstroms
   sigma value = 269

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

Energy: 0.5405375678830027
Energy: 0.5404087150777371
Energy: 0.5404091917121999
Energy: 0.3882366557255708
Energy: 0.4863500062728307
Energy: 0.48635100253320734
Energy: 0.5483413196599459
Energy: 0.5299164324078413
Energy: 0.5299164324489618
Energy: 0.4241279977088421
Energy: 0.5324331318675273
Energy: 0.5324340109105742
Energy: 0.42412729472611393
Energy: 0.6318233753613566
Energy: 0.6318228480542732
Energy: 0.3883415039913936
Energy: 0.5394524198727831
Energy: 0.5394528501215747
Energy: 0.546773378831586
Energy: 0.4149003488600044
Energy: 0.41490031567267616
Energy: 0.5421066309273129
Energy: 0.5598108080587993
Energy: 0.559812797479136
Energy: 0.38823711361712915
Energy: 0.4107786914847625
Energy: 0.41077977605221394
Energy: 0.3883414872630216
Energy: 0.5643042143166389
Energy: 0.5643043831390945
   minimum gb energy = 0.3882366557255708 eV
   minimum distance = 2.51169526942508 Angstroms
   sigma value = 65

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

Energy: 0.5371181486044265
Energy: 0.6351237160723622
Energy: 0.6351236599356376
Energy: 0.38891585675916296
Energy: 0.4633108386069482
Energy: 0.4633104375701546
Energy: 0.39187391895732376
Energy: 0.636824822088013
Energy: 0.6368236192234235
Energy: 0.5508568147956054
Energy: 0.3870372958374374
Energy: 0.3870372726996419
Energy: 0.39009096068884846
Energy: 0.5251558489078292
Energy: 0.5251559885488665
Energy: 0.563860374868684
Energy: 0.4238073526059307
Energy: 0.42380698601312433
Energy: 0.3888204221780363
Energy: 0.44637568508247466
Energy: 0.4463734690824802
Energy: 0.601265340586012
Energy: 0.42380735379970913
Energy: 0.423807254296271
Energy: 0.38882039245736993
Energy: 0.5121216237753289
Energy: 0.5121186955059168
Energy: 0.45630055217756665
Energy: 0.42316128729811775
Energy: 0.4231612900908357
   minimum gb energy = 0.3870372726996419 eV
   minimum distance = 2.51338998911421 Angstroms
   sigma value = 79

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

Energy: 0.4478623877358469
Energy: 0.506561466665963
Energy: 0.5065614263480553
Energy: 0.42296779139105856
Energy: 0.5289395521079441
Energy: 0.5289395490729869
Energy: 0.42459280961401935
Energy: 0.38068559918205536
Energy: 0.38068531712128584
Energy: 0.3741978847536097
Energy: 0.575274990777384
Energy: 0.5752751265070426
Energy: 0.37419788466436354
Energy: 0.5039951946891931
Energy: 0.5039951489488822
Energy: 0.3682192909674176
Energy: 0.561970595271763
Energy: 0.5619694171520095
Energy: 0.4229680392831264
Energy: 0.37419788466283743
Energy: 0.3741978843470595
Energy: 0.44786166896627866
Energy: 0.6079744059378782
Energy: 0.6082054123634757
Energy: 0.42296793061564053
Energy: 0.5395126534558287
Energy: 0.5395122512291857
Energy: 0.4133322275399759
Energy: 0.5150607056193912
Energy: 0.515060720874301
   minimum gb energy = 0.3682192909674176 eV
   minimum distance = 2.51230144526854 Angstroms
   sigma value = 41

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

Energy: 0.4642127088219514
Energy: 0.5891980984187638
Energy: 0.5891976028387116
Energy: 0.3534214461474655
Energy: 0.5372852686928047
Energy: 0.5372856281390014
Energy: 0.3562728144580357
Energy: 0.4533720742735057
Energy: 0.453371880501304
Energy: 0.5399232735102347
Energy: 0.4097884165535701
Energy: 0.40978902256986766
Energy: 0.4453071258693216
Energy: 0.49388736197619143
Energy: 0.49388733861185796
Energy: 0.3638229417122708
Energy: 0.525152407863052
Energy: 0.5251511380333441
Energy: 0.36246247827222194
Energy: 0.4404141471798923
Energy: 0.44041333245432146
Energy: 0.5378543893455091
Energy: 0.45571298912239167
Energy: 0.45571425916962244
Energy: 0.397402807604233
Energy: 0.35793633657779367
Energy: 0.35793606381315535
Energy: 0.3536158641202753
Energy: 0.5319143393892077
Energy: 0.5319138933549313
   minimum gb energy = 0.3534214461474655 eV
   minimum distance = 2.51117828029299 Angstroms
   sigma value = 101

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

Energy: 0.5016250878979968
Energy: 0.5635301101896627
Energy: 0.5635300190040274
Energy: 0.42803372046123217
Energy: 0.3471934537795359
Energy: 0.3471927866795221
Energy: 0.3426877399735422
Energy: 0.4666482966252891
Energy: 0.4666482962601073
Energy: 0.34097361348325045
Energy: 0.3544784161179113
Energy: 0.3544789810659724
Energy: 0.3426877398978726
Energy: 0.4666482959574573
Energy: 0.4666482959499501
Energy: 0.34268774000541957
Energy: 0.4278308570486746
Energy: 0.42783061211733797
Energy: 0.3413646869484745
Energy: 0.4278307747182864
Energy: 0.4278306634697173
Energy: 0.5016250872126482
Energy: 0.5406674845806361
Energy: 0.5406674714500431
Energy: 0.4947974790372852
Energy: 0.42783052078039197
Energy: 0.42783072103658604
Energy: 0.3426877399823007
Energy: 0.5800379668659579
Energy: 0.5800378823988209
   minimum gb energy = 0.34097361348325045 eV
   minimum distance = 2.61897318461934 Angstroms
   sigma value = 15

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

Energy: 0.487028644481905
Energy: 0.5484310630886873
Energy: 0.5484646193665456
Energy: 0.39981211637102054
Energy: 0.4139111327238342
Energy: 0.4139111247529356
Energy: 0.3312556466512989
Energy: 0.48382103263357656
Energy: 0.4838170446765393
Energy: 0.3403243166260739
Energy: 0.45326019163433384
Energy: 0.45325987468981277
Energy: 0.5474795027039533
Energy: 0.37041108645541165
Energy: 0.3704111180009065
Energy: 0.3352321266304284
Energy: 0.5457863189528052
Energy: 0.5457859813991656
Energy: 0.327652196932306
Energy: 0.4797837198011729
Energy: 0.47978358441366614
Energy: 0.5481808269347884
Energy: 0.41385814611578653
Energy: 0.41385713950940894
Energy: 0.3344660184947037
Energy: 0.5087385740622906
Energy: 0.5087384493948987
Energy: 0.3273122235592662
Energy: 0.4803038381068373
Energy: 0.4803039895047157
   minimum gb energy = 0.3273122235592662 eV
   minimum distance = 2.51604812010449 Angstroms
   sigma value = 145

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

Energy: 0.45909752410246724
Energy: 0.5221371622439246
Energy: 0.5221373022877923
Energy: 0.32549391252670246
Energy: 0.43784701560318545
Energy: 0.4378470676796911
Energy: 0.3183675968419588
Energy: 0.4494875451810245
Energy: 0.4494874278004384
Energy: 0.37832926442803544
Energy: 0.44978169080700997
Energy: 0.44978177885117004
Energy: 0.31836759627199573
Energy: 0.44978171352960034
Energy: 0.44978170217466484
Energy: 0.31836762961266507
Energy: 0.43784922261201364
Energy: 0.4378480996198264
Energy: 0.3254936801859219
Energy: 0.5239413727446319
Energy: 0.5239442899991851
Energy: 0.4590975286592807
Energy: 0.4417345802596425
Energy: 0.4417336884941821
Energy: 0.3963477292309747
Energy: 0.45397387258671684
Energy: 0.45397379629747814
Energy: 0.35010563502260394
Energy: 0.3175527199767562
Energy: 0.31755272083704866
   minimum gb energy = 0.3175527199767562 eV
   minimum distance = 2.58777546773494 Angstroms
   sigma value = 85

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

Energy: 0.5049976452727108
Energy: 0.5130801899413917
Energy: 0.5130801054675834
Energy: 0.3110544389094662
Energy: 0.5477976535066734
Energy: 0.5477976517990897
Energy: 0.3115433922392992
Energy: 0.5099604072007602
Energy: 0.5099604039085829
Energy: 0.37522297398498095
Energy: 0.5164912547814239
Energy: 0.5164912565062387
Energy: 0.37522274883703777
Energy: 0.41146675541947825
Energy: 0.4114703617722886
Energy: 0.30986741992428807
Energy: 0.43949398907629006
Energy: 0.4394937568224483
Energy: 0.3083652765402551
Energy: 0.43039797305544536
Energy: 0.4303979741454381
Energy: 0.5486750909297883
Energy: 0.4075767943889981
Energy: 0.40757679847094336
Energy: 0.3832655198953089
Energy: 0.43301208199340674
Energy: 0.43301211674548384
Energy: 0.30788373158360827
Energy: 0.48147910642262837
Energy: 0.48147383392846516
   minimum gb energy = 0.30788373158360827 eV
   minimum distance = 2.52121080512398 Angstroms
   sigma value = 197

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

Energy: 0.4336125656535159
Energy: 0.4940861002174636
Energy: 0.4940860964808014
Energy: 0.31649673691324154
Energy: 0.4921666129505044
Energy: 0.4921563893518008
Energy: 0.2888123474420986
Energy: 0.4756095836312717
Energy: 0.4756101338459812
Energy: 0.28983771972063893
Energy: 0.41456665360164574
Energy: 0.41456718264382303
Energy: 0.36942519006168645
Energy: 0.41456643564584356
Energy: 0.41456655078832755
Energy: 0.2888123468048392
Energy: 0.36538332506966686
Energy: 0.3653833259471966
Energy: 0.40224936229114927
Energy: 0.4969332221699597
Energy: 0.4969294131839238
Energy: 0.4336127702500824
Energy: 0.4154349254979208
Energy: 0.41543492589073144
Energy: 0.31649673605637507
Energy: 0.476861673974994
Energy: 0.4768616734654748
Energy: 0.3003232764860606
Energy: 0.4921558920952904
Energy: 0.49216724851372534
   minimum gb energy = 0.2888123468048392 eV
   minimum distance = 2.59680251276537 Angstroms
   sigma value = 113

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

Energy: 0.4497082119203055
Energy: 0.4666830315216969
Energy: 0.46668593522685387
Energy: 0.46566297811839613
Energy: 0.334284157183534
Energy: 0.33428393663910494
Energy: 0.27905921563053976
Energy: 0.3961683592174222
Energy: 0.39616907675318264
Energy: 0.2790590315673183
Energy: 0.466841773136598
Energy: 0.4668433263706536
Energy: 0.2718245730464952
Energy: 0.3917207418348312
Energy: 0.3917212689866332
Energy: 0.285338757904227
Energy: 0.45866843349619646
Energy: 0.4586687061889503
Energy: 0.42771573362973137
Energy: 0.38469323123001026
Energy: 0.38469323105600867
Energy: 0.49015231845457374
Energy: 0.4746229359861695
Energy: 0.47368097587031754
Energy: 0.37850735065378915
Energy: 0.4736749250508512
Energy: 0.4736749225228109
Energy: 0.33201771383815193
Energy: 0.3780253282730221
Energy: 0.37802533094706575
   minimum gb energy = 0.2718245730464952 eV
   minimum distance = 2.5231217377903 Angstroms
   sigma value = 145

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

Energy: 0.4628585943368921
Energy: 0.4412837099888633
Energy: 0.4412823860775549
Energy: 0.40075101870085833
Energy: 0.42909794196061457
Energy: 0.42909253928288393
Energy: 0.2614335470424897
Energy: 0.3206985305316059
Energy: 0.32069853020817546
Energy: 0.2705352373763059
Energy: 0.4391856939590027
Energy: 0.43918556449583196
Energy: 0.2619503909504982
Energy: 0.44353301162041303
Energy: 0.4435335649223735
Energy: 0.3114126419391845
Energy: 0.35907225836414886
Energy: 0.3590723389875069
Energy: 0.28195114980479236
Energy: 0.44454372087441035
Energy: 0.4445437274523701
Energy: 0.46113470493319964
Energy: 0.44350494401993884
Energy: 0.4434992595143434
Energy: 0.4695411552189557
Energy: 0.3099666798695886
Energy: 0.3099665640139052
Energy: 0.27053501384714157
Energy: 0.4533137243595552
Energy: 0.4533144012364761
   minimum gb energy = 0.2614335470424897 eV
   minimum distance = 2.61636187972417 Angstroms
   sigma value = 181

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

Energy: 0.4549281902332532
Energy: 0.4247257883911394
Energy: 0.42472575815620695
Energy: 0.3572713538918373
Energy: 0.47653333319282076
Energy: 0.4765333331507801
Energy: 0.2562560564119718
Energy: 0.45759330925634045
Energy: 0.4575932974545724
Energy: 0.2541869143295009
Energy: 0.42157961050227855
Energy: 0.421579601496288
Energy: 0.25418686186424055
Energy: 0.42028383309556977
Energy: 0.4202698389179645
Energy: 0.2562560456072871
Energy: 0.4296417596034321
Energy: 0.42964159448062816
Energy: 0.3577026838222171
Energy: 0.4202796961170686
Energy: 0.4202718964914827
Energy: 0.4799029700287025
Energy: 0.3482304356304275
Energy: 0.3482295615417519
Energy: 0.3577026707109143
Energy: 0.42095278338198544
Energy: 0.42037815971851306
Energy: 0.2673153516722094
Energy: 0.3943085411469603
Energy: 0.39430831170681063
   minimum gb energy = 0.25418686186424055 eV
   minimum distance = 2.56681389117184 Angstroms
   sigma value = 55

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

Energy: 0.41466676142286224
Energy: 0.4023583771236713
Energy: 0.40236216299187716
Energy: 0.32046794139448226
Energy: 0.3930936749869644
Energy: 0.39309367374818277
Energy: 0.34100439372585994
Energy: 0.247235394782726
Energy: 0.2472354116380856
Energy: 0.23590536257382982
Energy: 0.40284233334247044
Energy: 0.4028319576134601
Energy: 0.2475330690089269
Energy: 0.39787598141415764
Energy: 0.39787567776525673
Energy: 0.24076278910008253
Energy: 0.3928628443965353
Energy: 0.39286240272642137
Energy: 0.5483152116694954
Energy: 0.24368691912799034
Energy: 0.243687060235775
Energy: 0.4611938546439942
Energy: 0.40266929388643313
Energy: 0.402669294063441
Energy: 0.32046793144946617
Energy: 0.4388726226556475
Energy: 0.4388844724154444
Energy: 0.24046684903917792
Energy: 0.40266929398843027
Energy: 0.40266929392512546
   minimum gb energy = 0.23590536257382982 eV
   minimum distance = 2.61942485762287 Angstroms
   sigma value = 265

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

Energy: 0.44186257293771947
Energy: 0.38464289498496945
Energy: 0.38464296866376657
Energy: 0.45290404276330853
Energy: 0.2984811796846231
Energy: 0.29848118075047636
Energy: 0.23479174795329633
Energy: 0.381264761717192
Energy: 0.38126511290778675
Energy: 0.22344494121345457
Energy: 0.3577140871490552
Energy: 0.35771525189039255
Energy: 0.2347917519180332
Energy: 0.386112389780923
Energy: 0.3861123920799442
Energy: 0.2292831543410273
Energy: 0.3652304593695913
Energy: 0.3652299941853291
Energy: 0.3014602359810053
Energy: 0.39103051852397186
Energy: 0.3910301729558457
Energy: 0.43886060252017045
Energy: 0.3772685989147522
Energy: 0.3772654596470215
Energy: 0.36828178171865766
Energy: 0.3860769740649711
Energy: 0.38607706597078184
Energy: 0.23179316617159912
Energy: 0.3852898290232544
Energy: 0.38529496757172604
   minimum gb energy = 0.22344494121345457 eV
   minimum distance = 2.61806786490522 Angstroms
   sigma value = 39

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

Energy: 0.4215589042772608
Energy: 0.3704492429713462
Energy: 0.37044932939957703
Energy: 0.29125309912893566
Energy: 0.37083409589380967
Energy: 0.37087806112396354
Energy: 0.2572544948197283
Energy: 0.35559591122515916
Energy: 0.35559531522719506
Energy: 0.2143205674707992
Energy: 0.35087637939259386
Energy: 0.3508766412774854
Energy: 0.21994263481716628
Energy: 0.37127562558725496
Energy: 0.3711797842329787
Energy: 0.22413384666941547
Energy: 0.4096942757114557
Energy: 0.4096942727248399
Energy: 0.2912530977462052
Energy: 0.3656641145633887
Energy: 0.3656642593956582
Energy: 0.4621273645974566
Energy: 0.35559559797013046
Energy: 0.3555947077386091
Energy: 0.4304290927787099
Energy: 0.2831808128924197
Energy: 0.2831808202368963
Energy: 0.27768047581593985
Energy: 0.34392458215260735
Energy: 0.3439247496563362
   minimum gb energy = 0.2143205674707992 eV
   minimum distance = 2.56842233323633 Angstroms
   sigma value = 91

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

Energy: 0.40361622400423536
Energy: 0.3558150131694219
Energy: 0.3558151544992794
Energy: 0.282187270307412
Energy: 0.35535469670665976
Energy: 0.3553554795394143
Energy: 0.21493279410030888
Energy: 0.35631136310058875
Energy: 0.35631177424360627
Energy: 0.2116996691396869
Energy: 0.350057654844748
Energy: 0.35005678228692055
Energy: 0.20927522046806418
Energy: 0.33852543152683723
Energy: 0.3385255360740322
Energy: 0.3872955221619055
Energy: 0.2720228072895771
Energy: 0.27202281927434363
Energy: 0.37902259404121275
Energy: 0.2984585468235562
Energy: 0.2984585438910332
Energy: 0.4417077210917896
Energy: 0.3509593583780145
Energy: 0.3509459905835484
Energy: 0.33709630149987296
Energy: 0.36265328057033236
Energy: 0.3634045321788919
Energy: 0.2194190415502509
Energy: 0.38958254308640744
Energy: 0.38958253445782753
   minimum gb energy = 0.20927522046806418 eV
   minimum distance = 2.62332896125644 Angstroms
   sigma value = 105

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

Energy: 0.01168259119303384
Energy: 0.011682591185790101
Energy: 0.011682591183709245
Energy: 0.011682591185103026
Energy: 0.199100455814531
Energy: 0.19910045580832772
Energy: 0.011682591191659689
Energy: 0.199100455814531
Energy: 0.19910045581419727
Energy: 0.011682591189932184
Energy: 0.19910045581488436
Energy: 0.19910045581282312
Energy: 0.011682591185103026
Energy: 0.199100455814531
Energy: 0.1991004558066002
Energy: 0.011682591191306336
Energy: 0.199100455814531
Energy: 0.19910045580866143
Energy: 0.011682591194074268
Energy: 0.1991004558072873
Energy: 0.1991004558072873
Energy: 0.011682591194074268
Energy: 0.011682591180254236
Energy: 0.011682591191659689
Energy: 0.01168259119199341
Energy: 0.1991004558124698
Energy: 0.19910045581315686
Energy: 0.011682591179920512
Energy: 0.19910045581419727
Energy: 0.19910045581557145
   minimum gb energy = 0.011682591179920512 eV
   minimum distance = 2.83997976988505 Angstroms
   sigma value = 1