model_name=EAM_Dynamo_Zhakhovsky_2009_Al__MO_519613893196_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=4.031999975442886
cohesive_energy=3.360958551709536
mass=26.981538


Isolated atom energy: 0.0 eV

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

Energy: 0.010420323532188636
Energy: 0.01042032353414937
Energy: 0.010420323539583401
Energy: 0.010420323531684445
Energy: 0.010420323532664812
Energy: 0.010420323535129736
Energy: 0.010420323537118479
Energy: 0.010420323532664812
Energy: 0.010420323533169002
Energy: 0.010420323541544133
Energy: 0.010420323535633923
Energy: 0.010420323537118479
Energy: 0.01042032353661429
Energy: 0.010420323540563766
Energy: 0.010420323536110101
Energy: 0.22155755537182842
Energy: 0.010420323538098845
Energy: 0.010420323533645179
Energy: 0.010420323533169002
Energy: 0.010420323534653556
Energy: 0.010420323538575024
Energy: 0.010420323532664812
Energy: 0.010420323533645179
Energy: 0.010420323533169002
Energy: 0.01042032353907921
Energy: 0.010420323536110101
Energy: 0.01042032353414937
Energy: 0.01042032353414937
Energy: 0.010420323538575024
Energy: 0.010420323535129736
   minimum gb energy = 0.010420323531684445 eV
   minimum distance = 2.85094073529141 Angstroms
   sigma value = 1

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

Energy: 0.4355160467651794
Energy: 0.41783879705505694
Energy: 0.41783879367560667
Energy: 0.3920432753366863
Energy: 0.4175437402422173
Energy: 0.4175437422010523
Energy: 0.39350020788768686
Energy: 0.4628433804190552
Energy: 0.46284345832581797
Energy: 0.4016698761206
Energy: 0.3890661188550581
Energy: 0.38906147721186174
Energy: 0.40441022820185957
Energy: 0.4178387970815893
Energy: 0.4178387919914563
Energy: 0.3683918860649036
Energy: 0.4251453082863384
Energy: 0.42514490524175885
Energy: 0.39333129130373395
Energy: 0.4175437424399928
Energy: 0.41754374230560176
Energy: 0.4019708970723585
Energy: 0.3913352726096329
Energy: 0.3913352680400116
Energy: 0.3995021203506975
Energy: 0.44388747386256344
Energy: 0.44388772105826085
Energy: 0.39750434544888624
Energy: 0.4251498772522447
Energy: 0.4251443091043165
   minimum gb energy = 0.3683918860649036 eV
   minimum distance = 2.60265804446972 Angstroms
   sigma value = 113

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

Energy: 0.4499263679152132
Energy: 0.43528183291220335
Energy: 0.4352821100694919
Energy: 0.377993190173009
Energy: 0.4349599850233606
Energy: 0.4349599877407201
Energy: 0.3989388229063311
Energy: 0.43528189119969524
Energy: 0.435282167722235
Energy: 0.40195435697587717
Energy: 0.4353945124243564
Energy: 0.4353951873292244
Energy: 0.38649250146638564
Energy: 0.4350144880490048
Energy: 0.43501458664864695
Energy: 0.4156767619132697
Energy: 0.4353943781173104
Energy: 0.4353945668113316
Energy: 0.38679484763633987
Energy: 0.435014509100159
Energy: 0.43501456415525047
Energy: 0.39563475039629087
Energy: 0.4353940928620019
Energy: 0.43539433161349395
Energy: 0.4026894907655433
Energy: 0.43501464057677913
Energy: 0.4350143296364174
Energy: 0.3923642585913013
Energy: 0.44430107370757294
Energy: 0.4443062137034227
   minimum gb energy = 0.377993190173009 eV
   minimum distance = 2.59879503964571 Angstroms
   sigma value = 197

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

Energy: 0.4655445763766692
Energy: 0.4461451903713018
Energy: 0.4461451849876487
Energy: 0.4111593415108888
Energy: 0.44614519518429624
Energy: 0.4461451986306592
Energy: 0.4322525501588566
Energy: 0.41810795531398626
Energy: 0.4181077681687186
Energy: 0.41784667373423773
Energy: 0.49907187902022837
Energy: 0.49907195785120845
Energy: 0.42489681470551194
Energy: 0.45077665879388223
Energy: 0.45077687958095775
Energy: 0.3928837337903326
Energy: 0.4549716385731507
Energy: 0.45497073896016815
Energy: 0.4173457671700326
Energy: 0.42103024482230594
Energy: 0.42103052116039724
Energy: 0.42492673842532885
Energy: 0.532076080839434
Energy: 0.5320760311331836
Energy: 0.4370820373626355
Energy: 0.42103050473235826
Energy: 0.4210304050538111
Energy: 0.41357790515559373
Energy: 0.45497218918311044
Energy: 0.4549724021575386
   minimum gb energy = 0.3928837337903326 eV
   minimum distance = 2.59880873699316 Angstroms
   sigma value = 169

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

Energy: 0.48233792340333875
Energy: 0.4668359675324298
Energy: 0.46683589163735356
Energy: 0.435018740948125
Energy: 0.4925975997284632
Energy: 0.4925958572540337
Energy: 0.43241339607519547
Energy: 0.46201350888711123
Energy: 0.462014016367923
Energy: 0.4337171157514619
Energy: 0.4653236776109986
Energy: 0.46532332066850196
Energy: 0.4437332255721632
Energy: 0.5140834127039864
Energy: 0.5140779786347095
Energy: 0.44397540019264475
Energy: 0.466886427568907
Energy: 0.46688671003304166
Energy: 0.44374301495954577
Energy: 0.506054519347315
Energy: 0.5060545849533759
Energy: 0.42269426461274334
Energy: 0.4668357928877895
Energy: 0.46683564643347475
Energy: 0.44091093037468765
Energy: 0.4524213039396442
Energy: 0.4524165135905614
Energy: 0.4391568285415945
Energy: 0.4702452611981232
Energy: 0.470238332478538
   minimum gb energy = 0.42269426461274334 eV
   minimum distance = 2.59117640137789 Angstroms
   sigma value = 145

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

Energy: 0.500584994013937
Energy: 0.4907452556755038
Energy: 0.49074525523962487
Energy: 0.46482151337139965
Energy: 0.47677365520468534
Energy: 0.47677277977845706
Energy: 0.4477421191713926
Energy: 0.4790144512469213
Energy: 0.4790164458138109
Energy: 0.4438210051471031
Energy: 0.4877738672955492
Energy: 0.48777383088205795
Energy: 0.47039690933793904
Energy: 0.46225885184365745
Energy: 0.4622607957441492
Energy: 0.42217409285482127
Energy: 0.4903260429265828
Energy: 0.4903260615489096
Energy: 0.47039528724138335
Energy: 0.4466879462801449
Energy: 0.4466874217565912
Energy: 0.46192026247380646
Energy: 0.44880911812464075
Energy: 0.44880887314320705
Energy: 0.4367181674493704
Energy: 0.4790139189455507
Energy: 0.47901754478186903
Energy: 0.4619208256254248
Energy: 0.45713407969103526
Energy: 0.45713421499301227
   minimum gb energy = 0.42217409285482127 eV
   minimum distance = 2.57431184557411 Angstroms
   sigma value = 61

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

Energy: 0.517898004268077
Energy: 0.5043562267919974
Energy: 0.5043536627725711
Energy: 0.466761630652154
Energy: 0.504352577151689
Energy: 0.5043534693344697
Energy: 0.47573071257211846
Energy: 0.5395026330799829
Energy: 0.5394993547609475
Energy: 0.46557138998498937
Energy: 0.5331020277844013
Energy: 0.5331019205504395
Energy: 0.47676938570266986
Energy: 0.470034282192519
Energy: 0.47003577207339275
Energy: 0.4767829967114414
Energy: 0.5189427555642537
Energy: 0.518944917797359
Energy: 0.46395757974611523
Energy: 0.5189450074087294
Energy: 0.518941206894013
Energy: 0.4702957696934591
Energy: 0.5171206970065743
Energy: 0.5171203204883881
Energy: 0.4757275668150254
Energy: 0.5461309584814524
Energy: 0.5461309548011262
Energy: 0.48649233655232016
Energy: 0.5009928250350625
Energy: 0.5009946243691158
   minimum gb energy = 0.46395757974611523 eV
   minimum distance = 2.55963401765178 Angstroms
   sigma value = 101

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

Energy: 0.5299285728230749
Energy: 0.536065971300113
Energy: 0.5360552863679909
Energy: 0.5074154474243056
Energy: 0.5328569955808089
Energy: 0.5328569855082315
Energy: 0.47749264617975845
Energy: 0.5328570046988867
Energy: 0.5328569853210534
Energy: 0.46234207924273707
Energy: 0.5328570395670196
Energy: 0.5328570129359606
Energy: 0.46680209594110356
Energy: 0.5360307301787747
Energy: 0.5360306329875594
Energy: 0.47156989307329855
Energy: 0.5360302746477519
Energy: 0.5360308585698873
Energy: 0.49483218722770755
Energy: 0.5325840985935328
Energy: 0.5325840993390284
Energy: 0.47749191431184296
Energy: 0.5324167824243474
Energy: 0.532416793485623
Energy: 0.4964040846984468
Energy: 0.5328569736611246
Energy: 0.5328570048044527
Energy: 0.5055371631283176
Energy: 0.5360559265935668
Energy: 0.5360559718433534
   minimum gb energy = 0.46234207924273707 eV
   minimum distance = 2.53810457675369 Angstroms
   sigma value = 81

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

Energy: 0.5397734100607826
Energy: 0.5431377059887974
Energy: 0.5431371137613269
Energy: 0.5116951708102541
Energy: 0.50325161341126
Energy: 0.5032474554464738
Energy: 0.5284588785085391
Energy: 0.5084159220496351
Energy: 0.5084302443989948
Energy: 0.5261378571225953
Energy: 0.5137692894454993
Energy: 0.513773684710632
Energy: 0.5168483979891499
Energy: 0.5220690485611029
Energy: 0.5220719323192253
Energy: 0.5168498112059836
Energy: 0.5220792293405142
Energy: 0.5220722966337482
Energy: 0.5261422645677464
Energy: 0.5187149155579669
Energy: 0.5186926619703836
Energy: 0.5379420684518016
Energy: 0.5084170523992702
Energy: 0.5084165786970241
Energy: 0.5116852584644993
Energy: 0.503252848285944
Energy: 0.5032500025377439
Energy: 0.5269051927810611
Energy: 0.5170685732483262
Energy: 0.5170685533953371
   minimum gb energy = 0.5032474554464738 eV
   minimum distance = 2.58290795485008 Angstroms
   sigma value = 1

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

Energy: 0.5655194526044818
Energy: 0.5355490332889581
Energy: 0.5355467989382338
Energy: 0.5386402597104604
Energy: 0.5205836403808505
Energy: 0.5205734910873727
Energy: 0.5322412479226056
Energy: 0.5273425812886604
Energy: 0.5273208724440172
Energy: 0.5051714039395283
Energy: 0.5376827248624677
Energy: 0.5376833979797534
Energy: 0.5307023187215606
Energy: 0.6223962646967646
Energy: 0.6224022113508069
Energy: 0.5227389670639063
Energy: 0.5216293345757135
Energy: 0.5216256955993873
Energy: 0.5267366726834414
Energy: 0.5540220132807876
Energy: 0.5540317162019553
Energy: 0.5273171164407089
Energy: 0.5791187277268123
Energy: 0.579111398579135
Energy: 0.4892625659029241
Energy: 0.5393563620869968
Energy: 0.5393563411412591
Energy: 0.5421631647737715
Energy: 0.534670006787575
Energy: 0.5346723800934328
   minimum gb energy = 0.4892625659029241 eV
   minimum distance = 2.5707836185585 Angstroms
   sigma value = 229

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

Energy: 0.5664219104176712
Energy: 0.5463991565076097
Energy: 0.5464080207410017
Energy: 0.5734513921850062
Energy: 0.5292898846319068
Energy: 0.5292897705345472
Energy: 0.5357061003834996
Energy: 0.5389158592085518
Energy: 0.5389009256234104
Energy: 0.5135281703428584
Energy: 0.5388994845863978
Energy: 0.538902690720128
Energy: 0.5290320415700596
Energy: 0.5782494307433452
Energy: 0.5782511697922433
Energy: 0.5057400518295692
Energy: 0.5362784696300581
Energy: 0.5362788016794414
Energy: 0.5195606312982181
Energy: 0.6330832657662192
Energy: 0.633085527218197
Energy: 0.4940479936552054
Energy: 0.5389015346076631
Energy: 0.5388996331059113
Energy: 0.535713093795786
Energy: 0.5362782663521339
Energy: 0.5362791072928634
Energy: 0.5440421686337281
Energy: 0.538902928620932
Energy: 0.5389108211741718
   minimum gb energy = 0.4940479936552054 eV
   minimum distance = 2.59946397051243 Angstroms
   sigma value = 25

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

Energy: 0.5914184216047595
Energy: 0.5517434699174422
Energy: 0.5517326394000267
Energy: 0.5087562346020289
Energy: 0.5558510966030875
Energy: 0.5558512506609903
Energy: 0.538610130603589
Energy: 0.5525551044581762
Energy: 0.5525381846789588
Energy: 0.5188962333017425
Energy: 0.5558506402486307
Energy: 0.5558512591301757
Energy: 0.552539208780749
Energy: 0.5517418949684587
Energy: 0.5517331180419928
Energy: 0.5506969319615418
Energy: 0.578880192700726
Energy: 0.5788692346482255
Energy: 0.5441601521110409
Energy: 0.5484773805182168
Energy: 0.5484764095220315
Energy: 0.5484790161795547
Energy: 0.5522205627166613
Energy: 0.5522235076098162
Energy: 0.541542582886774
Energy: 0.5506219270005989
Energy: 0.5506268435623471
Energy: 0.5434305367248974
Energy: 0.5958575813471155
Energy: 0.5958578585227059
   minimum gb energy = 0.5087562346020289 eV
   minimum distance = 2.54619000660349 Angstroms
   sigma value = 173

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

Energy: 0.5609022724925862
Energy: 0.6215697160822846
Energy: 0.6215791468231716
Energy: 0.5705145694642462
Energy: 0.5433334200084483
Energy: 0.5433334222192209
Energy: 0.5757645054708717
Energy: 0.5531656687991304
Energy: 0.5531687971743622
Energy: 0.5668584553283552
Energy: 0.6243945043913645
Energy: 0.6243952214769596
Energy: 0.5433334185324511
Energy: 0.5705150669329622
Energy: 0.5705218429738483
Energy: 0.543333428014682
Energy: 0.5450506464989574
Energy: 0.5450506240988393
Energy: 0.5628562325925491
Energy: 0.5953370430207264
Energy: 0.5953395243436292
Energy: 0.537065948892927
Energy: 0.5630746940297345
Energy: 0.5630744224424133
Energy: 0.5523534150714264
Energy: 0.543333422992051
Energy: 0.5433334204637249
Energy: 0.5705147189190511
Energy: 0.5630749997684938
Energy: 0.5630746950626122
   minimum gb energy = 0.537065948892927 eV
   minimum distance = 2.53605873596322 Angstroms
   sigma value = 9

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

Energy: 0.5769272732573879
Energy: 0.5890582717248751
Energy: 0.5890650715115333
Energy: 0.5572127572175398
Energy: 0.6904999944336804
Energy: 0.6905098577325515
Energy: 0.576926129527532
Energy: 0.5690838069113499
Energy: 0.5690835271097313
Energy: 0.5888865919198382
Energy: 0.6211993321855791
Energy: 0.6212030719511358
Energy: 0.5678729144452188
Energy: 0.5690839421136277
Energy: 0.5690833736897946
Energy: 0.5792149837660348
Energy: 0.5961852184425878
Energy: 0.596187681093179
Energy: 0.5623658529946756
Energy: 0.5734252712424571
Energy: 0.5734029782304481
Energy: 0.5784538093269284
Energy: 0.5623658539453592
Energy: 0.5623658510915445
Energy: 0.5678723319758078
Energy: 0.5663515274215338
Energy: 0.5663517742013808
Energy: 0.5915667022414067
Energy: 0.5678732169098389
Energy: 0.567873052069813
   minimum gb energy = 0.5572127572175398 eV
   minimum distance = 2.52489578312436 Angstroms
   sigma value = 31

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

Energy: 0.5847724780361476
Energy: 0.5774445797648541
Energy: 0.5774443052320346
Energy: 0.5748204072336233
Energy: 0.5757087326459457
Energy: 0.575708647584059
Energy: 0.6147962536085053
Energy: 0.620273595603061
Energy: 0.6202726003327272
Energy: 0.5832385121980591
Energy: 0.5479269964752668
Energy: 0.547928722728833
Energy: 0.5832401167905222
Energy: 0.5554860227539294
Energy: 0.555484762129563
Energy: 0.5554836030498794
Energy: 0.5757085821399544
Energy: 0.5757087121729219
Energy: 0.5271830479764245
Energy: 0.5774445573860926
Energy: 0.5774444992237605
Energy: 0.5271826366623308
Energy: 0.5554847798387068
Energy: 0.5554850120763889
Energy: 0.5752004689040023
Energy: 0.5552443899031572
Energy: 0.5552436189827994
Energy: 0.5752004668813452
Energy: 0.5552436122905244
Energy: 0.5552447904854624
   minimum gb energy = 0.5271826366623308 eV
   minimum distance = 2.5297975099798 Angstroms
   sigma value = 25

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

Energy: 0.6194763384767406
Energy: 0.6010297785716541
Energy: 0.6010012889864087
Energy: 0.5988950184139915
Energy: 0.566762019417808
Energy: 0.5667620187016325
Energy: 0.5988733107474836
Energy: 0.5667620194629135
Energy: 0.5667620194522396
Energy: 0.5869954812834378
Energy: 0.6010122769072078
Energy: 0.6010239704657337
Energy: 0.5820116370430596
Energy: 0.5696875654122565
Energy: 0.5696876256737082
Energy: 0.5820108356046363
Energy: 0.5809580344300671
Energy: 0.580948824989121
Energy: 0.5645558845270394
Energy: 0.6010027166185872
Energy: 0.6010320456563758
Energy: 0.5869908540239664
Energy: 0.5756624007329219
Energy: 0.5756930209982588
Energy: 0.5820113384963633
Energy: 0.5795735575410451
Energy: 0.5795740954124107
Energy: 0.5475714244640524
Energy: 0.6009947209459757
Energy: 0.6010324770755602
   minimum gb energy = 0.5475714244640524 eV
   minimum distance = 2.57959502174108 Angstroms
   sigma value = 205

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

Energy: 0.5819134918491635
Energy: 0.5906514072872303
Energy: 0.5906482717110478
Energy: 0.5714929893395462
Energy: 0.5821526229229597
Energy: 0.582150427309674
Energy: 0.5949528341518695
Energy: 0.5698296973489492
Energy: 0.5698359302785568
Energy: 0.5784446804183161
Energy: 0.5760348146755107
Energy: 0.5760154900061606
Energy: 0.5942045223551318
Energy: 0.5553783660654926
Energy: 0.5553772714611945
Energy: 0.6271381022878276
Energy: 0.5974306221605005
Energy: 0.5974311387742188
Energy: 0.5971532705552777
Energy: 0.582150764752062
Energy: 0.5821499392067043
Energy: 0.5629717237360885
Energy: 0.5821505036995788
Energy: 0.5821511505695797
Energy: 0.6108718684320814
Energy: 0.5904823534836393
Energy: 0.590483910427435
Energy: 0.5848949461196815
Energy: 0.5707632536815466
Energy: 0.5707630202798422
   minimum gb energy = 0.5553772714611945 eV
   minimum distance = 2.51747759831831 Angstroms
   sigma value = 85

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

Energy: 0.5789390767910572
Energy: 0.5888444473850015
Energy: 0.588838845887769
Energy: 0.5757610574771365
Energy: 0.5921808546773618
Energy: 0.592179644492529
Energy: 0.5904948086919062
Energy: 0.5960790421879233
Energy: 0.5960681108613701
Energy: 0.568328193022512
Energy: 0.57124887926698
Energy: 0.5712682357689781
Energy: 0.5907921512967752
Energy: 0.6311676781263859
Energy: 0.631128675391781
Energy: 0.5932949279144942
Energy: 0.6027613263615947
Energy: 0.6027673194126385
Energy: 0.5998344522369301
Energy: 0.5935903646325703
Energy: 0.59358717757226
Energy: 0.6040548062438225
Energy: 0.5712675525203577
Energy: 0.5712662454508556
Energy: 0.5939107936670357
Energy: 0.6027902532826114
Energy: 0.6027957653551929
Energy: 0.5543889592231136
Energy: 0.5898206270269318
Energy: 0.5898159373457142
   minimum gb energy = 0.5543889592231136 eV
   minimum distance = 2.51218284135193 Angstroms
   sigma value = 89

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

Energy: 0.5632076857390221
Energy: 0.5722059464508694
Energy: 0.5722095973478896
Energy: 0.6643207619053513
Energy: 0.5420047467551334
Energy: 0.5420047669432996
Energy: 0.666922893073761
Energy: 0.5722082012164328
Energy: 0.5722059339151344
Energy: 0.5420052302576621
Energy: 0.5510071045237834
Energy: 0.5510078887214764
Energy: 0.6015012455457963
Energy: 0.5420049384782007
Energy: 0.5420049638842932
Energy: 0.5420046897401769
Energy: 0.5888814858735358
Energy: 0.5888872039243381
Energy: 0.6087868604079482
Energy: 0.549787033608392
Energy: 0.5497874426290987
Energy: 0.54200486567672
Energy: 0.588879696936895
Energy: 0.5888576577417256
Energy: 0.5420050101824981
Energy: 0.5497914403832914
Energy: 0.5497905479700027
Energy: 0.5510253116602352
Energy: 0.5420051316246229
Energy: 0.5420046823686177
   minimum gb energy = 0.5420046823686177 eV
   minimum distance = 2.61883829937035 Angstroms
   sigma value = 17

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

Energy: 0.6401809225488639
Energy: 0.5981993223653196
Energy: 0.5982052027303736
Energy: 0.5598977705308589
Energy: 0.5830120440934233
Energy: 0.5830119322095464
Energy: 0.5894323168312113
Energy: 0.609602005660565
Energy: 0.6095542095414604
Energy: 0.6128618975529735
Energy: 0.601034940201804
Energy: 0.6010161823889953
Energy: 0.5895007350932029
Energy: 0.5962664220258073
Energy: 0.5962792303119545
Energy: 0.6176307869979752
Energy: 0.6202664896034376
Energy: 0.6202735563991151
Energy: 0.6084844909379753
Energy: 0.5982232016913225
Energy: 0.5982295081543907
Energy: 0.559897430563975
Energy: 0.5666195416411663
Energy: 0.5666191973904099
Energy: 0.6088363889751531
Energy: 0.61635552940591
Energy: 0.6163456450160245
Energy: 0.5850643500589672
Energy: 0.601065643013286
Energy: 0.6010214997174357
   minimum gb energy = 0.559897430563975 eV
   minimum distance = 2.52958059403257 Angstroms
   sigma value = 241

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

Energy: 0.6309196030035228
Energy: 0.5857039561764833
Energy: 0.5857239442660745
Energy: 0.588573643508796
Energy: 0.5958471386113747
Energy: 0.5958449142109133
Energy: 0.6573060294329545
Energy: 0.598080321618432
Energy: 0.5980761037118069
Energy: 0.5885885118756178
Energy: 0.5710796177553732
Energy: 0.5710795488613682
Energy: 0.5714153302374299
Energy: 0.5710795920728361
Energy: 0.571079583520343
Energy: 0.6619665352235249
Energy: 0.6828185665383016
Energy: 0.6828199981682459
Energy: 0.5944452794451988
Energy: 0.6209967908534558
Energy: 0.620997030644221
Energy: 0.5885697467165485
Energy: 0.5857325326817512
Energy: 0.5857048250722953
Energy: 0.5714157972700563
Energy: 0.5958146664950118
Energy: 0.5958095950956113
Energy: 0.638291702646669
Energy: 0.6521558198546006
Energy: 0.6521646397773689
   minimum gb energy = 0.5710795488613682 eV
   minimum distance = 2.50351915125132 Angstroms
   sigma value = 65

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

Energy: 0.6149765477334701
Energy: 0.576805775706896
Energy: 0.5767992139500505
Energy: 0.5593301172119759
Energy: 0.5928967246528829
Energy: 0.5928980788717623
Energy: 0.5593271346524961
Energy: 0.6233265927121376
Energy: 0.6233245008209476
Energy: 0.5981563186745646
Energy: 0.5860852435648081
Energy: 0.5860864532891592
Energy: 0.6989435377828808
Energy: 0.6149710810893863
Energy: 0.614961923121085
Energy: 0.6732305399500411
Energy: 0.6213940000920599
Energy: 0.6213744405749884
Energy: 0.55932873340728
Energy: 0.6233021322067348
Energy: 0.6233066969878963
Energy: 0.5876049555782323
Energy: 0.6204082367266982
Energy: 0.6204076577921804
Energy: 0.6150065917613905
Energy: 0.5847697631426
Energy: 0.5847702305567605
Energy: 0.5593275653765059
Energy: 0.6381799667230423
Energy: 0.6381701048614135
   minimum gb energy = 0.5593271346524961 eV
   minimum distance = 2.59939725737659 Angstroms
   sigma value = 53

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

Energy: 0.6055169062484664
Energy: 0.5754191603829054
Energy: 0.5754227868839743
Energy: 0.6956568564963655
Energy: 0.6186144459970667
Energy: 0.6186823333172945
Energy: 0.5926822476800142
Energy: 0.6113238883713441
Energy: 0.611322895054697
Energy: 0.5563814263129078
Energy: 0.6722406963272911
Energy: 0.672228427666925
Energy: 0.7007103420425355
Energy: 0.6034339561544524
Energy: 0.6033719099032141
Energy: 0.5563938651965556
Energy: 0.6747211009057553
Energy: 0.6747211165647604
Energy: 0.5926901800040997
Energy: 0.6113445580950856
Energy: 0.6113454557189146
Energy: 0.6510482318898355
Energy: 0.6186120272626735
Energy: 0.6186886957380883
Energy: 0.6054645422651521
Energy: 0.5734925096951776
Energy: 0.5734715492294479
Energy: 0.6695552134164202
Energy: 0.6277338914024063
Energy: 0.6277343173266577
   minimum gb energy = 0.5563814263129078 eV
   minimum distance = 2.52207871329707 Angstroms
   sigma value = 109

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

Energy: 0.642675282973743
Energy: 0.6091196281453841
Energy: 0.6091042947726317
Energy: 0.5925996394227292
Energy: 0.6128124953619214
Energy: 0.6128087218788495
Energy: 0.5870021763193051
Energy: 0.6295636400429031
Energy: 0.6295710559342337
Energy: 0.5880133769092665
Energy: 0.5914116286311598
Energy: 0.5914153360687204
Energy: 0.680062071485069
Energy: 0.6426535027050085
Energy: 0.6427258282656423
Energy: 0.588014332584702
Energy: 0.5914118997743066
Energy: 0.5914136944386134
Energy: 0.5870319982412631
Energy: 0.6295732231288387
Energy: 0.6295708084162899
Energy: 0.5925856490276615
Energy: 0.6128169598072315
Energy: 0.6128169572733814
Energy: 0.6426519871132179
Energy: 0.6091236714025332
Energy: 0.6091026868212145
Energy: 0.5925587072852627
Energy: 0.612824026738045
Energy: 0.6128287751637972
   minimum gb energy = 0.5870021763193051 eV
   minimum distance = 2.51139851731739 Angstroms
   sigma value = 185

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

Energy: 0.5308289476024041
Energy: 0.5308279866460742
Energy: 0.5308274835832631
Energy: 0.6112701185629409
Energy: 0.5399307038721924
Energy: 0.5399307034795134
Energy: 0.5420379846447341
Energy: 0.567735068621981
Energy: 0.56773506862354
Energy: 0.6305078760961705
Energy: 0.5399307195093452
Energy: 0.5399310710873456
Energy: 0.530828150386597
Energy: 0.5308278212771539
Energy: 0.5308287170467341
Energy: 0.6112704352779605
Energy: 0.5399307030058041
Energy: 0.5399307392073235
Energy: 0.5420381712543234
Energy: 0.567735068621981
Energy: 0.5677350686250989
Energy: 0.6305159195602374
Energy: 0.5726819580991885
Energy: 0.5726820404345672
Energy: 0.5308278040568133
Energy: 0.5308278215062139
Energy: 0.5308284285004075
Energy: 0.6112732559583154
Energy: 0.572682010801131
Energy: 0.5726822643255699
   minimum gb energy = 0.5308274835832631 eV
   minimum distance = 2.59586227056728 Angstroms
   sigma value = 9

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

Energy: 0.6361144708931347
Energy: 0.5997074539897715
Energy: 0.5997234451096994
Energy: 0.7130104058165295
Energy: 0.6110431778573928
Energy: 0.6110436115496861
Energy: 0.5938631410281914
Energy: 0.6279778027758494
Energy: 0.6279831757495526
Energy: 0.6013312359111787
Energy: 0.6308606623686482
Energy: 0.6308561938868581
Energy: 0.6026254792757071
Energy: 0.6677516551143621
Energy: 0.6677949136885967
Energy: 0.5954919270806724
Energy: 0.6227647157458558
Energy: 0.6227647156278604
Energy: 0.7288507305180543
Energy: 0.6252707553769737
Energy: 0.6252685404816589
Energy: 0.6308568199901483
Energy: 0.6419930841440145
Energy: 0.6420180893592006
Energy: 0.7183905086472684
Energy: 0.6205669856598219
Energy: 0.6205668929264607
Energy: 0.6026439121645359
Energy: 0.6119479457360781
Energy: 0.6119582965680043
   minimum gb energy = 0.5938631410281914 eV
   minimum distance = 2.56712036426324 Angstroms
   sigma value = 221

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

Energy: 0.6336034563880714
Energy: 0.623173967914192
Energy: 0.623146300645191
Energy: 0.5770630134624993
Energy: 0.6204219086212236
Energy: 0.6204219085669099
Energy: 0.5831910836032401
Energy: 0.6201347182197345
Energy: 0.6201331622643372
Energy: 0.573006447249391
Energy: 0.648785630610459
Energy: 0.6487873615077627
Energy: 0.6143674349762097
Energy: 0.6335760171858579
Energy: 0.6336010670672115
Energy: 0.6618076349218168
Energy: 0.6282388862528102
Energy: 0.6282404243608399
Energy: 0.729363658218425
Energy: 0.5705744811916993
Energy: 0.5705813520294328
Energy: 0.6769675330990541
Energy: 0.5677053061786204
Energy: 0.5677146516027759
Energy: 0.6986269378424318
Energy: 0.6241346959038582
Energy: 0.6241380837173293
Energy: 0.6574369670213038
Energy: 0.62860555166055
Energy: 0.6286028265605952
   minimum gb energy = 0.5677053061786204 eV
   minimum distance = 2.55326210332247 Angstroms
   sigma value = 137

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

Energy: 0.5883687060080734
Energy: 0.6518251266850806
Energy: 0.6518251284810548
Energy: 0.7142929432524517
Energy: 0.5894509813650866
Energy: 0.5894550722936913
Energy: 0.6458009824387331
Energy: 0.6778350644848841
Energy: 0.6778355050829967
Energy: 0.5920555557704258
Energy: 0.6789327335707822
Energy: 0.6789488168098902
Energy: 0.6458005022838686
Energy: 0.65052256485431
Energy: 0.6505305646842482
Energy: 0.5894764777908936
Energy: 0.6200921633258477
Energy: 0.6201036175919136
Energy: 0.7400526040525401
Energy: 0.6803427151255617
Energy: 0.6803271870698054
Energy: 0.5920576114349293
Energy: 0.6306277739471311
Energy: 0.6306845250647244
Energy: 0.6676643959197525
Energy: 0.6145381410997016
Energy: 0.6145221894290376
Energy: 0.5917372692633458
Energy: 0.6145193400819874
Energy: 0.6144970857078333
   minimum gb energy = 0.5883687060080734 eV
   minimum distance = 2.54643226564668 Angstroms
   sigma value = 73

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

Energy: 0.6375259976879559
Energy: 0.6336017998611276
Energy: 0.6335423902551135
Energy: 0.6189273910493337
Energy: 0.6322114479001051
Energy: 0.6322013575442466
Energy: 0.6202324445134478
Energy: 0.6422875238321014
Energy: 0.6422849313116205
Energy: 0.5837044342812475
Energy: 0.6334046250113573
Energy: 0.6334122714593778
Energy: 0.6386675724405038
Energy: 0.6267227483495418
Energy: 0.6267988215569206
Energy: 0.597944762639603
Energy: 0.6338596671104748
Energy: 0.6338597180119868
Energy: 0.5834976305449201
Energy: 0.6543695572679776
Energy: 0.6543663872936112
Energy: 0.6112946161523094
Energy: 0.6281127113891359
Energy: 0.6281683137885496
Energy: 0.6035476010591272
Energy: 0.6152620458861642
Energy: 0.6152847762657836
Energy: 0.583467714352758
Energy: 0.6563312825515506
Energy: 0.6563320541445938
   minimum gb energy = 0.583467714352758 eV
   minimum distance = 2.56908379651536 Angstroms
   sigma value = 97

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

Energy: 0.6223949118672569
Energy: 0.6234228704276179
Energy: 0.6234228278159246
Energy: 0.5977700656682647
Energy: 0.6232890412140257
Energy: 0.6232932377627535
Energy: 0.6004907211698651
Energy: 0.6365275364483245
Energy: 0.6365369542561364
Energy: 0.5877776885947055
Energy: 0.6166553164920502
Energy: 0.6166553164938812
Energy: 0.7141604824336255
Energy: 0.5809870706678097
Energy: 0.5809824025638195
Energy: 0.6541422290418907
Energy: 0.6209502314661558
Energy: 0.6209512086181075
Energy: 0.6446121657039519
Energy: 0.5841774414742201
Energy: 0.584176545117795
Energy: 0.6304411617329142
Energy: 0.6475345306781679
Energy: 0.6475345312839247
Energy: 0.6223957482216005
Energy: 0.6446070676527692
Energy: 0.6446072981172077
Energy: 0.5883114213093025
Energy: 0.6504272544642941
Energy: 0.6504309939557035
   minimum gb energy = 0.5809824025638195 eV
   minimum distance = 2.49118721229125 Angstroms
   sigma value = 7

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

Energy: 0.6004332953764303
Energy: 0.6034408205657673
Energy: 0.6034405885376526
Energy: 0.5877989606943018
Energy: 0.6678887800597271
Energy: 0.6678949725797292
Energy: 0.6920887685302209
Energy: 0.6112742483472506
Energy: 0.6112742406862739
Energy: 0.590448241018871
Energy: 0.6354121578644571
Energy: 0.6354514114827172
Energy: 0.5938863263328455
Energy: 0.6749673478621665
Energy: 0.6749149157855565
Energy: 0.5937942714277965
Energy: 0.6499461290293502
Energy: 0.6499781975057687
Energy: 0.6080064268112394
Energy: 0.5941273072158931
Energy: 0.5941277942296452
Energy: 0.726745059966373
Energy: 0.5921945478692068
Energy: 0.5921776452414024
Energy: 0.6079702071575998
Energy: 0.6508018017803858
Energy: 0.6508016555211702
Energy: 0.5937975023117037
Energy: 0.6495957397645459
Energy: 0.6495945182072926
   minimum gb energy = 0.5877989606943018 eV
   minimum distance = 2.49128027830313 Angstroms
   sigma value = 169

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

Energy: 0.5970988427202272
Energy: 0.6045781586203754
Energy: 0.604579458700091
Energy: 0.6105481830131076
Energy: 0.5928260598281971
Energy: 0.5928284491480973
Energy: 0.6474122705653973
Energy: 0.606661300452888
Energy: 0.606709931029024
Energy: 0.5886945644287427
Energy: 0.6007854120091163
Energy: 0.6007840324958026
Energy: 0.5970988695533249
Energy: 0.63088356634818
Energy: 0.6308850555005507
Energy: 0.6685664098209328
Energy: 0.5947736880291035
Energy: 0.5947732072436498
Energy: 0.588791781897879
Energy: 0.6520823820726928
Energy: 0.6520823819173948
Energy: 0.5888067142591027
Energy: 0.642203437206688
Energy: 0.6422034541621803
Energy: 0.7191328535656387
Energy: 0.6094165405208452
Energy: 0.6094394018344355
Energy: 0.5886971107549994
Energy: 0.6278128580930967
Energy: 0.6277972044986999
   minimum gb energy = 0.5886945644287427 eV
   minimum distance = 2.53910946597566 Angstroms
   sigma value = 29

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

Energy: 0.6255875176282094
Energy: 0.608417573488519
Energy: 0.6084497146057188
Energy: 0.5947785743611138
Energy: 0.6425477864389556
Energy: 0.6425477412718932
Energy: 0.6540385438031048
Energy: 0.5963443666349807
Energy: 0.5963238311697616
Energy: 0.6010568081272132
Energy: 0.6344012624071506
Energy: 0.6343866340123703
Energy: 0.5935728927219192
Energy: 0.6037337317688691
Energy: 0.603705615550019
Energy: 0.6212580739385603
Energy: 0.615625973034463
Energy: 0.6156259140358
Energy: 0.6014425570423506
Energy: 0.6264643509289333
Energy: 0.6264785950255861
Energy: 0.5935722027472433
Energy: 0.645647173501989
Energy: 0.6456093006486052
Energy: 0.5987218764902846
Energy: 0.6428301344568315
Energy: 0.6428303598914306
Energy: 0.6093470883895367
Energy: 0.6398015487193306
Energy: 0.639799988678044
   minimum gb energy = 0.5935722027472433 eV
   minimum distance = 2.49944107465387 Angstroms
   sigma value = 97

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

Energy: 0.6008551751855331
Energy: 0.6070100022928608
Energy: 0.607014114455439
Energy: 0.5964563179162957
Energy: 0.6393497379380091
Energy: 0.6393474963881033
Energy: 0.6025149897441916
Energy: 0.6246273715494872
Energy: 0.6246378665136417
Energy: 0.5961828654169751
Energy: 0.6273200765430225
Energy: 0.6273294889553344
Energy: 0.6290011624597658
Energy: 0.5873723009619486
Energy: 0.5873299578933486
Energy: 0.6307035424907981
Energy: 0.5948639564346722
Energy: 0.5948554714863871
Energy: 0.5857113977335549
Energy: 0.5948198505965651
Energy: 0.5948463853151167
Energy: 0.5857535141394696
Energy: 0.5914213879990509
Energy: 0.5914380816050464
Energy: 0.5843284175752143
Energy: 0.667011319446644
Energy: 0.6670113849234827
Energy: 0.5857256016982657
Energy: 0.6016218715363332
Energy: 0.6016306750000373
   minimum gb energy = 0.5843284175752143 eV
   minimum distance = 2.53212891318391 Angstroms
   sigma value = 73

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

Energy: 0.598622285598629
Energy: 0.6070761146449458
Energy: 0.6070767450250417
Energy: 0.6024739327334452
Energy: 0.5902525351269716
Energy: 0.5902492909695191
Energy: 0.5886884367874666
Energy: 0.63246432883847
Energy: 0.6324650339286731
Energy: 0.6653373125560237
Energy: 0.5876508080227565
Energy: 0.5876274490140952
Energy: 0.5962746011811263
Energy: 0.635842565350479
Energy: 0.6358424122784263
Energy: 0.6214504473443428
Energy: 0.5875704201445221
Energy: 0.5875644285649568
Energy: 0.589746927305098
Energy: 0.6453631687440549
Energy: 0.6453631400701424
Energy: 0.5987428910509967
Energy: 0.5919269487463527
Energy: 0.5918785222731543
Energy: 0.5852414324585083
Energy: 0.5926023220482199
Energy: 0.5926010666579368
Energy: 0.5947324699901684
Energy: 0.6194122012334216
Energy: 0.619412199769362
   minimum gb energy = 0.5852414324585083 eV
   minimum distance = 2.53749322493578 Angstroms
   sigma value = 205

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

Energy: 0.5973780663322419
Energy: 0.6067609177687937
Energy: 0.6067606358939798
Energy: 0.5924435009857095
Energy: 0.6311794928255526
Energy: 0.6311794554097306
Energy: 0.5868176599993795
Energy: 0.6314663749692683
Energy: 0.6314663749082415
Energy: 0.5855580000704601
Energy: 0.6167312229915553
Energy: 0.6167309229900855
Energy: 0.5858597553096396
Energy: 0.6239626843943648
Energy: 0.6239626861504359
Energy: 0.598393598866688
Energy: 0.6185540546904394
Energy: 0.6185540441176512
Energy: 0.6268394428276333
Energy: 0.589112260919061
Energy: 0.5891297079938282
Energy: 0.6371339865120633
Energy: 0.5925704875500817
Energy: 0.5925701820353716
Energy: 0.5887717016628382
Energy: 0.5925701115142784
Energy: 0.5925703224273839
Energy: 0.5935056067691964
Energy: 0.5874553043185398
Energy: 0.5874356816476989
   minimum gb energy = 0.5855580000704601 eV
   minimum distance = 2.53968839805371 Angstroms
   sigma value = 137

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

Energy: 0.5684249638430235
Energy: 0.5763511555155355
Energy: 0.5763511555122285
Energy: 0.5458785550041251
Energy: 0.5684249638414702
Energy: 0.5684249639289566
Energy: 0.561234591499426
Energy: 0.5695111379536156
Energy: 0.5695114461351248
Energy: 0.5684249638941574
Energy: 0.5457618279455978
Energy: 0.5457617974252558
Energy: 0.5684249774126084
Energy: 0.5684249638467566
Energy: 0.5684249638549239
Energy: 0.5684249638762944
Energy: 0.5695111215564367
Energy: 0.5695112736151409
Energy: 0.580932300907095
Energy: 0.5949883391898763
Energy: 0.5949898882528579
Energy: 0.5684249639247726
Energy: 0.5684249641266274
Energy: 0.568424963854473
Energy: 0.5684249643761083
Energy: 0.5684249639452662
Energy: 0.5684249638522683
Energy: 0.5457618345261054
Energy: 0.59498839514967
Energy: 0.5949884512487601
   minimum gb energy = 0.5457617974252558 eV
   minimum distance = 2.59472197372521 Angstroms
   sigma value = 5

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

Energy: 0.5737084716330365
Energy: 0.5920689093688157
Energy: 0.5920691203599725
Energy: 0.5652411412731381
Energy: 0.6224301308993928
Energy: 0.6224301308767736
Energy: 0.561062918962833
Energy: 0.5921591009499084
Energy: 0.5921590944854074
Energy: 0.5602425529947292
Energy: 0.5946436463203812
Energy: 0.5946436028091875
Energy: 0.5839473423013034
Energy: 0.5880619640941535
Energy: 0.5880618814350732
Energy: 0.6342385308777815
Energy: 0.5601421016788686
Energy: 0.5601407964596615
Energy: 0.5578221858273565
Energy: 0.5729591531549878
Energy: 0.5729620917540723
Energy: 0.5642854623410489
Energy: 0.5686957553054497
Energy: 0.5686957216002682
Energy: 0.5653173014043067
Energy: 0.5846827474674319
Energy: 0.5846827527214586
Energy: 0.5675317103913083
Energy: 0.6561292485442599
Energy: 0.6561264639772901
   minimum gb energy = 0.5578221858273565 eV
   minimum distance = 2.586229336397 Angstroms
   sigma value = 289

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

Energy: 0.576582194839782
Energy: 0.587085563542938
Energy: 0.587085546378536
Energy: 0.564825391119349
Energy: 0.5599219751546994
Energy: 0.5599256318260188
Energy: 0.5848659874640628
Energy: 0.5586944216724422
Energy: 0.558693361617584
Energy: 0.5638815333909175
Energy: 0.6239323835650761
Energy: 0.623940424321411
Energy: 0.5575309162157613
Energy: 0.5892011288525411
Energy: 0.5891997312848369
Energy: 0.5616929655041272
Energy: 0.5788201600597042
Energy: 0.5788251505535387
Energy: 0.5579423898588275
Energy: 0.6032968088228
Energy: 0.6032959282919138
Energy: 0.5622101768813972
Energy: 0.6612816127401949
Energy: 0.661245160553813
Energy: 0.5650015648952285
Energy: 0.5698749869354018
Energy: 0.5698826648941654
Energy: 0.5683330203573074
Energy: 0.5627794143454639
Energy: 0.5627794143551468
   minimum gb energy = 0.5575309162157613 eV
   minimum distance = 2.55759783387051 Angstroms
   sigma value = 109

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

Energy: 0.5682225801081514
Energy: 0.5888464009577535
Energy: 0.5888295265471265
Energy: 0.5643466198703312
Energy: 0.5841558602128666
Energy: 0.5841558606242306
Energy: 0.5567273962774889
Energy: 0.5896811000291524
Energy: 0.5896835022000968
Energy: 0.5593673869337641
Energy: 0.5945925575869901
Energy: 0.5945914321447869
Energy: 0.5583784550669117
Energy: 0.5967067835093538
Energy: 0.5967268838854695
Energy: 0.6008788248980865
Energy: 0.5536863442429013
Energy: 0.5537009261631696
Energy: 0.5560558959057889
Energy: 0.5657973577271134
Energy: 0.5657879605729623
Energy: 0.5501631504190889
Energy: 0.585900588449223
Energy: 0.5858995094242595
Energy: 0.5545294415212499
Energy: 0.5593809799817959
Energy: 0.5593943208090792
Energy: 0.5481395926332784
Energy: 0.5934938473561105
Energy: 0.5934941415363387
   minimum gb energy = 0.5481395926332784 eV
   minimum distance = 2.53976646735465 Angstroms
   sigma value = 157

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

Energy: 0.5734190399567409
Energy: 0.5803488777023811
Energy: 0.5803623410311866
Energy: 0.5552947556030708
Energy: 0.6385754418519787
Energy: 0.6385852679924873
Energy: 0.5474249346213211
Energy: 0.5870139871856572
Energy: 0.5869653307242024
Energy: 0.5507160251435954
Energy: 0.5658595988760154
Energy: 0.5658596857874335
Energy: 0.620077904742752
Energy: 0.5884584296392937
Energy: 0.5884598957534715
Energy: 0.6681413563213479
Energy: 0.5443973284009078
Energy: 0.5444010867230996
Energy: 0.6009205584055802
Energy: 0.5489868279355097
Energy: 0.5489901066345788
Energy: 0.5414135157828395
Energy: 0.5960256967729245
Energy: 0.5960258973030422
Energy: 0.5562711699185919
Energy: 0.5923428858755381
Energy: 0.5923460484853038
Energy: 0.5533919609143093
Energy: 0.5637789387550703
Energy: 0.5637789255275575
   minimum gb energy = 0.5414135157828395 eV
   minimum distance = 2.54186348075937 Angstroms
   sigma value = 53

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

Energy: 0.55392255864647
Energy: 0.5617666761346051
Energy: 0.5617738422263798
Energy: 0.5793848978688849
Energy: 0.5421708213861041
Energy: 0.5421715822559745
Energy: 0.5449273427113692
Energy: 0.6710797258160373
Energy: 0.6710891299223947
Energy: 0.6418835233562364
Energy: 0.5395290731782085
Energy: 0.5395290146967378
Energy: 0.5446030752462938
Energy: 0.6139371174587867
Energy: 0.613937115219966
Energy: 0.559283365388943
Energy: 0.5567235048908228
Energy: 0.5567234471366697
Energy: 0.5446065087608049
Energy: 0.6098303912661815
Energy: 0.6098346416530163
Energy: 0.5614743971575247
Energy: 0.5722068131759093
Energy: 0.5722057025814835
Energy: 0.5395290240456416
Energy: 0.58312038023096
Energy: 0.5830861111682482
Energy: 0.618775711398158
Energy: 0.536879087660202
Energy: 0.5368794803368726
   minimum gb energy = 0.536879087660202 eV
   minimum distance = 2.5644130730052 Angstroms
   sigma value = 1

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

Energy: 0.5625390241819984
Energy: 0.5569266863344349
Energy: 0.5568969528949642
Energy: 0.5417200092809611
Energy: 0.5473909735247656
Energy: 0.5473872565701555
Energy: 0.5354206775591724
Energy: 0.5485279243018074
Energy: 0.5485269210198209
Energy: 0.5431134779587533
Energy: 0.6058496560353995
Energy: 0.6058496344848795
Energy: 0.5880537070262715
Energy: 0.5711612004580104
Energy: 0.57116111939195
Energy: 0.5373974296719355
Energy: 0.6362630526526131
Energy: 0.6362676360273906
Energy: 0.6009581935278039
Energy: 0.5820266531370036
Energy: 0.5819899601887043
Energy: 0.5312646531484906
Energy: 0.6022376128498628
Energy: 0.6022371496041068
Energy: 0.529428497987779
Energy: 0.6530280596888327
Energy: 0.653026339515215
Energy: 0.5524792893521261
Energy: 0.5532234589102535
Energy: 0.5532234307403111
   minimum gb energy = 0.529428497987779 eV
   minimum distance = 2.54058619909137 Angstroms
   sigma value = 3

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

Energy: 0.5382619161447395
Energy: 0.538271679716911
Energy: 0.5382690958653521
Energy: 0.5069121399548759
Energy: 0.5624459777298796
Energy: 0.562447236023771
Energy: 0.5093356935006275
Energy: 0.5382954819669689
Energy: 0.5382818106512633
Energy: 0.5069044186737041
Energy: 0.524097031986678
Energy: 0.5240995717720704
Energy: 0.538271588660608
Energy: 0.5405807804889465
Energy: 0.5405874911911444
Energy: 0.5597472706736558
Energy: 0.5158282049299671
Energy: 0.5158197670379975
Energy: 0.5483526818284215
Energy: 0.5158175820170876
Energy: 0.5158162572183173
Energy: 0.5382637531196048
Energy: 0.5158244110794689
Energy: 0.5158310374928192
Energy: 0.5069038558947209
Energy: 0.5844408137033149
Energy: 0.5844453873203875
Energy: 0.5093637009314957
Energy: 0.5382630728821608
Energy: 0.5382615145633438
   minimum gb energy = 0.5069038558947209 eV
   minimum distance = 2.55096690624097 Angstroms
   sigma value = 17

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

Energy: 0.568179834523572
Energy: 0.5427919140499176
Energy: 0.5428113784296301
Energy: 0.5191202154594442
Energy: 0.6128783602979918
Energy: 0.6128699062590826
Energy: 0.5183581613271191
Energy: 0.593859532984343
Energy: 0.5938599996362447
Energy: 0.57594979475069
Energy: 0.5609745435853619
Energy: 0.5609745429455393
Energy: 0.6003552515208981
Energy: 0.517707376455893
Energy: 0.5176886851127039
Energy: 0.5396675002268041
Energy: 0.5614100230943723
Energy: 0.5614100399201327
Energy: 0.5614100479890556
Energy: 0.5739234158212757
Energy: 0.5739233216391081
Energy: 0.5158407086514091
Energy: 0.6148024895073011
Energy: 0.6148024895111769
Energy: 0.5212916289168857
Energy: 0.5550348916915521
Energy: 0.5550557869961213
Energy: 0.5187276062993663
Energy: 0.6101137352698787
Energy: 0.6101155532475919
   minimum gb energy = 0.5158407086514091 eV
   minimum distance = 2.54595513274756 Angstroms
   sigma value = 233

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

Energy: 0.535828265031421
Energy: 0.5224096494954884
Energy: 0.5224096410368665
Energy: 0.5116170962277726
Energy: 0.5821990999660603
Energy: 0.5822050967912732
Energy: 0.5238065082627549
Energy: 0.5212116875132401
Energy: 0.5212271783606667
Energy: 0.5187302316542441
Energy: 0.5926566884101592
Energy: 0.592656688693768
Energy: 0.5147849132673579
Energy: 0.5756078166532798
Energy: 0.5755982153710085
Energy: 0.5203471473248245
Energy: 0.5364226776332052
Energy: 0.5364283226265875
Energy: 0.5147722532984276
Energy: 0.5288752544135549
Energy: 0.5288566653918066
Energy: 0.6016404350748363
Energy: 0.5276176969190614
Energy: 0.5276211422231024
Energy: 0.5175418720035247
Energy: 0.5238064966847682
Energy: 0.5238065082157242
Energy: 0.5116150616146933
Energy: 0.5901754903133609
Energy: 0.5901747998312875
   minimum gb energy = 0.5116150616146933 eV
   minimum distance = 2.4833162658946 Angstroms
   sigma value = 89

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

Energy: 0.5297662238806171
Energy: 0.5187180865599405
Energy: 0.5187106029996615
Energy: 0.5291948438043171
Energy: 0.5201768883197716
Energy: 0.5201825324389104
Energy: 0.5090597099694437
Energy: 0.5701058573769652
Energy: 0.5701084714982668
Energy: 0.5516971607710442
Energy: 0.5025183546077848
Energy: 0.5024816809687226
Energy: 0.5025196680995507
Energy: 0.5613528344929228
Energy: 0.5613537194031445
Energy: 0.6134800206545866
Energy: 0.549181522700708
Energy: 0.5491815209316044
Energy: 0.5088522925175668
Energy: 0.6064388425324858
Energy: 0.6064443090276116
Energy: 0.5385391382901157
Energy: 0.5651635738839337
Energy: 0.565167856328531
Energy: 0.5088900848510701
Energy: 0.6064447177403912
Energy: 0.6064497943642343
Energy: 0.6164920535930979
Energy: 0.5657323951144492
Energy: 0.5657324914970491
   minimum gb energy = 0.5024816809687226 eV
   minimum distance = 2.49566304311616 Angstroms
   sigma value = 85

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

Energy: 0.5265760064100237
Energy: 0.5151918092397981
Energy: 0.5151713908025128
Energy: 0.5026675824580344
Energy: 0.6152284356565771
Energy: 0.6152212138923095
Energy: 0.5021992740584642
Energy: 0.5534199643455856
Energy: 0.5534199652960017
Energy: 0.5326481886512188
Energy: 0.5146394615483965
Energy: 0.514639461539214
Energy: 0.5014527639120174
Energy: 0.5066343348410971
Energy: 0.506635060095571
Energy: 0.5039844410728086
Energy: 0.5271092082709097
Energy: 0.5271381310067509
Energy: 0.5054408698570863
Energy: 0.5565828107873536
Energy: 0.5565828107894271
Energy: 0.5010436236998095
Energy: 0.5751600019673453
Energy: 0.5751600085999807
Energy: 0.501474994947713
Energy: 0.5197132987009369
Energy: 0.5197132988522171
Energy: 0.5731993075295068
Energy: 0.5760322077844843
Energy: 0.5760321963767724
   minimum gb energy = 0.5010436236998095 eV
   minimum distance = 2.50870357949665 Angstroms
   sigma value = 69

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

Energy: 0.46876796814467714
Energy: 0.46876796827453887
Energy: 0.4687679681679211
Energy: 0.47545586967087344
Energy: 0.4967639505656116
Energy: 0.4967619889946882
Energy: 0.48041701243817087
Energy: 0.48592422600947777
Energy: 0.4859234816482908
Energy: 0.47545749895132683
Energy: 0.48592081071563814
Energy: 0.48592143922426184
Energy: 0.4754558252344556
Energy: 0.4859232019656762
Energy: 0.4859239370388448
Energy: 0.6587950209228597
Energy: 0.4754559169007632
Energy: 0.47546094250545673
Energy: 0.4754583358343737
Energy: 0.496762453647251
Energy: 0.4967639345562316
Energy: 0.4687679830251707
Energy: 0.5604839928211091
Energy: 0.5604841225933633
Energy: 0.4687680736528021
Energy: 0.48592395600707694
Energy: 0.48592367839908013
Energy: 0.47546451742405305
Energy: 0.4859217589302644
Energy: 0.48592353189585735
   minimum gb energy = 0.46876796814467714 eV
   minimum distance = 2.58783613580976 Angstroms
   sigma value = 13

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

Energy: 0.56135820873589
Energy: 0.48213273732933265
Energy: 0.4821201167652287
Energy: 0.46978606855511273
Energy: 0.5063353666093084
Energy: 0.5063524278698543
Energy: 0.47950752402497254
Energy: 0.5520267293359603
Energy: 0.5520281310922748
Energy: 0.47128395365303893
Energy: 0.5931056082237237
Energy: 0.5931056082237237
Energy: 0.4704439961755397
Energy: 0.4788391929663627
Energy: 0.47884009721881754
Energy: 0.46689218455633774
Energy: 0.6263287396645177
Energy: 0.6263287396610882
Energy: 0.4646178138132644
Energy: 0.5155225177000565
Energy: 0.5155275539660937
Energy: 0.5131594425605761
Energy: 0.5146857402023023
Energy: 0.5147072680812551
Energy: 0.538546258246302
Energy: 0.555552733440995
Energy: 0.5555508191129979
Energy: 0.5588832493424858
Energy: 0.512008018812989
Energy: 0.512013732189366
   minimum gb energy = 0.4646178138132644 eV
   minimum distance = 2.50387413308065 Angstroms
   sigma value = 125

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

Energy: 0.4917929702214572
Energy: 0.477241254302694
Energy: 0.4772412542930011
Energy: 0.47084249185980487
Energy: 0.4780917100281011
Energy: 0.47808768074115765
Energy: 0.4681856964812838
Energy: 0.4703895511032876
Energy: 0.47038955111661523
Energy: 0.4573794395580214
Energy: 0.5231939645972874
Energy: 0.5231978865553848
Energy: 0.5749722860755102
Energy: 0.46378461339880067
Energy: 0.4637846134056664
Energy: 0.468185696489765
Energy: 0.5447783608907312
Energy: 0.5447780488640123
Energy: 0.4614571033226874
Energy: 0.5670323709126049
Energy: 0.5670343071473183
Energy: 0.5314376803552373
Energy: 0.46762611134679427
Energy: 0.46762611120953407
Energy: 0.46788195561618917
Energy: 0.5007213903922881
Energy: 0.5007416696754214
Energy: 0.45889384500082697
Energy: 0.5674890517727738
Energy: 0.5674889432259886
   minimum gb energy = 0.4573794395580214 eV
   minimum distance = 2.51112483557034 Angstroms
   sigma value = 37

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

Energy: 0.4749009707492135
Energy: 0.45697485730838283
Energy: 0.45697486013758776
Energy: 0.44850595722471903
Energy: 0.5259873843113609
Energy: 0.5259873989333828
Energy: 0.44850582020534396
Energy: 0.4621839462040169
Energy: 0.462180710806627
Energy: 0.45697485748424105
Energy: 0.46508215112834783
Energy: 0.4650849172138645
Energy: 0.529931029703111
Energy: 0.5383722746561301
Energy: 0.5383710053959382
Energy: 0.44776822415344003
Energy: 0.46218516424017925
Energy: 0.4621915642122318
Energy: 0.45921931487343454
Energy: 0.49782772053865476
Energy: 0.4978277159314088
Energy: 0.6047686015336607
Energy: 0.5383707813616979
Energy: 0.5383695743077791
Energy: 0.45515666381624337
Energy: 0.4551296763245266
Energy: 0.455119667648675
Energy: 0.45921933660423403
Energy: 0.5874621404206333
Energy: 0.587462140601076
   minimum gb energy = 0.44776822415344003 eV
   minimum distance = 2.58590783143722 Angstroms
   sigma value = 37

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

Energy: 0.5485475372724249
Energy: 0.4512226176295463
Energy: 0.4512218277318297
Energy: 0.43750081819010267
Energy: 0.4537067888162487
Energy: 0.453706789909264
Energy: 0.44260271429736836
Energy: 0.6250481974610592
Energy: 0.6250481983700491
Energy: 0.44373344329886105
Energy: 0.4519994290780817
Energy: 0.4519922265408831
Energy: 0.4464757841883578
Energy: 0.4949914432469157
Energy: 0.49498616986564653
Energy: 0.5403950152950008
Energy: 0.5465563994467518
Energy: 0.54655088648419
Energy: 0.4455847870191249
Energy: 0.6193364086429392
Energy: 0.6193349450362957
Energy: 0.6324943054061163
Energy: 0.44575346264440613
Energy: 0.44576577986748
Energy: 0.4474868192134567
Energy: 0.54759216763894
Energy: 0.5475919878091275
Energy: 0.442618120377417
Energy: 0.4894175808792323
Energy: 0.48941757538041514
   minimum gb energy = 0.43750081819010267 eV
   minimum distance = 2.58103905769362 Angstroms
   sigma value = 185

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

Energy: 0.5260926105582373
Energy: 0.5837625865181924
Energy: 0.5837574173302214
Energy: 0.4421765926982939
Energy: 0.520220801724783
Energy: 0.5202208018940648
Energy: 0.5154291914638724
Energy: 0.5519981067723682
Energy: 0.5519903316009709
Energy: 0.44717709479185036
Energy: 0.516435001955058
Energy: 0.5164349853680815
Energy: 0.46589379402179104
Energy: 0.47686771734207356
Energy: 0.4768662238194319
Energy: 0.4443205729203
Energy: 0.646338490798477
Energy: 0.6463316387288264
Energy: 0.44288239972248455
Energy: 0.588715118620292
Energy: 0.5887177298592638
Energy: 0.519038088155462
Energy: 0.48272174237787174
Energy: 0.4827342783583527
Energy: 0.44606361944513484
Energy: 0.6150855556269771
Energy: 0.6150855553254693
Energy: 0.5154314967526649
Energy: 0.5519969357265037
Energy: 0.5519934837910407
   minimum gb energy = 0.4421765926982939 eV
   minimum distance = 2.49527243401954 Angstroms
   sigma value = 173

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

Energy: 0.5026277466722886
Energy: 0.5043960447845139
Energy: 0.5043960371111679
Energy: 0.4770109409707465
Energy: 0.5136474120108792
Energy: 0.5136474642982104
Energy: 0.42172547847342756
Energy: 0.5056852074671131
Energy: 0.5056870852829777
Energy: 0.41456087851377516
Energy: 0.6755768998870364
Energy: 0.6755772813969091
Energy: 0.4194464093642815
Energy: 0.48426383514729393
Energy: 0.4842640054559063
Energy: 0.4217254784901891
Energy: 0.5513370230534861
Energy: 0.551337156552526
Energy: 0.47701469023990756
Energy: 0.4349656813406814
Energy: 0.434964826161972
Energy: 0.5026278502525793
Energy: 0.5513385143135814
Energy: 0.5513380335370983
Energy: 0.4770021277489237
Energy: 0.6181189262425894
Energy: 0.6181201933860412
Energy: 0.4217254785296054
Energy: 0.4929601329198675
Energy: 0.49296234737831535
   minimum gb energy = 0.41456087851377516 eV
   minimum distance = 2.51494720876964 Angstroms
   sigma value = 25

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

Energy: 0.5039553092051835
Energy: 0.42724745892277294
Energy: 0.42724811862868184
Energy: 0.41203471293071575
Energy: 0.6112163393062893
Energy: 0.6112144669866088
Energy: 0.44596593450739264
Energy: 0.45640862602457216
Energy: 0.4564113433501819
Energy: 0.4064387014172625
Energy: 0.5297510066524492
Energy: 0.5297510066506458
Energy: 0.4166246794274658
Energy: 0.45989440369265977
Energy: 0.4598906208520659
Energy: 0.42795906463960737
Energy: 0.5844549756952269
Energy: 0.5844549892506871
Energy: 0.4080874827582063
Energy: 0.49589637063347675
Energy: 0.49589636948939547
Energy: 0.6388354247422392
Energy: 0.45216434730462735
Energy: 0.4521646607685057
Energy: 0.41069556399032586
Energy: 0.613323204946851
Energy: 0.6133259431452432
Energy: 0.41331161841141034
Energy: 0.46239452447675466
Energy: 0.46239384262896904
   minimum gb energy = 0.4064387014172625 eV
   minimum distance = 2.57090255773714 Angstroms
   sigma value = 269

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

Energy: 0.5502884126413764
Energy: 0.475429372148512
Energy: 0.4754312786344719
Energy: 0.4021070595818557
Energy: 0.5522784979124971
Energy: 0.5522771246801227
Energy: 0.39719758539132216
Energy: 0.538397931176343
Energy: 0.5383959142911637
Energy: 0.4382937972363542
Energy: 0.5678741631730329
Energy: 0.56787416347037
Energy: 0.43829164450150576
Energy: 0.43147722939393096
Energy: 0.4314764674052938
Energy: 0.40103129733512594
Energy: 0.6028790688886088
Energy: 0.6028833263958129
Energy: 0.4366282646109938
Energy: 0.4276029664379723
Energy: 0.4276023434331986
Energy: 0.5502893590865331
Energy: 0.5678741634561212
Energy: 0.5678741644384792
Energy: 0.4021070595736406
Energy: 0.42669478362807717
Energy: 0.4266943604725023
Energy: 0.4010304121196206
Energy: 0.6318330473665192
Energy: 0.6318297067028795
   minimum gb energy = 0.39719758539132216 eV
   minimum distance = 2.50735014516461 Angstroms
   sigma value = 65

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

Energy: 0.5442728417279088
Energy: 0.47643032296738846
Energy: 0.4764294401706016
Energy: 0.3932655030934631
Energy: 0.4732787698579414
Energy: 0.4732798366102364
Energy: 0.4041080223639547
Energy: 0.441353365411416
Energy: 0.44135718984930716
Energy: 0.4234060345386472
Energy: 0.39852800718139036
Energy: 0.39853317775166164
Energy: 0.40101286047031887
Energy: 0.41800494362392565
Energy: 0.4180050350219023
Energy: 0.5658875355027813
Energy: 0.4339351372521119
Energy: 0.4339330538042676
Energy: 0.3998140115840363
Energy: 0.4719288852408132
Energy: 0.4719258317117986
Energy: 0.6124865748326712
Energy: 0.43393237080584274
Energy: 0.43393178892419937
Energy: 0.39981296650655235
Energy: 0.534915666486683
Energy: 0.5349146543708044
Energy: 0.46460116941868285
Energy: 0.43345849114771645
Energy: 0.43346079185666936
   minimum gb energy = 0.3932655030934631 eV
   minimum distance = 2.50833365654042 Angstroms
   sigma value = 79

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

Energy: 0.40859938088157705
Energy: 0.38498138773004653
Energy: 0.3849813878508528
Energy: 0.38325746712359826
Energy: 0.5715799465557927
Energy: 0.5715806573471658
Energy: 0.49338257865520524
Energy: 0.3849813878831891
Energy: 0.3849813877123386
Energy: 0.38498139725809494
Energy: 0.5919928996074522
Energy: 0.5919929378258585
Energy: 0.3849813877223474
Energy: 0.4291365363548423
Energy: 0.42913653220918013
Energy: 0.37322873315435
Energy: 0.576692144909369
Energy: 0.5766872843767556
Energy: 0.38325746713052744
Energy: 0.38498138777004703
Energy: 0.3849813877508342
Energy: 0.408599264787287
Energy: 0.5342192862721569
Energy: 0.5342185920627325
Energy: 0.3832574671320672
Energy: 0.5135483449762094
Energy: 0.513548477146861
Energy: 0.3715426358097844
Energy: 0.4737723367018717
Energy: 0.47377104583068835
   minimum gb energy = 0.3715426358097844 eV
   minimum distance = 2.51490419620349 Angstroms
   sigma value = 41

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

Energy: 0.4717327738052351
Energy: 0.37669198599314857
Energy: 0.3766884360773249
Energy: 0.36031160475947194
Energy: 0.47008234591245474
Energy: 0.4700823574387926
Energy: 0.36114329481889357
Energy: 0.4605463843637053
Energy: 0.4605468234995759
Energy: 0.543503624964904
Energy: 0.41773699062969843
Energy: 0.41773512403633895
Energy: 0.45166770968827386
Energy: 0.49844425407256904
Energy: 0.4984434601445935
Energy: 0.3716942129737315
Energy: 0.4168829012625938
Energy: 0.41688334447507713
Energy: 0.36976003623732095
Energy: 0.4231566846361666
Energy: 0.42315668105572496
Energy: 0.5409649022092543
Energy: 0.4625652938649298
Energy: 0.46256623990021645
Energy: 0.3924197514513608
Energy: 0.36592315877259063
Energy: 0.36592298136701523
Energy: 0.3587931946776915
Energy: 0.5342174587919385
Energy: 0.5342175666145166
   minimum gb energy = 0.3587931946776915 eV
   minimum distance = 2.50768440073099 Angstroms
   sigma value = 101

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

Energy: 0.5041224843746198
Energy: 0.35645398649657867
Energy: 0.35645555985083255
Energy: 0.4403070576128826
Energy: 0.35393757881819915
Energy: 0.3539371990728098
Energy: 0.3483917897669337
Energy: 0.39684545112620695
Energy: 0.39684541343307494
Energy: 0.3452760146553431
Energy: 0.3618833170269112
Energy: 0.36188343836196724
Energy: 0.34839194114963284
Energy: 0.39684519305784155
Energy: 0.39684500230189473
Energy: 0.3483918975258151
Energy: 0.43271857747688214
Energy: 0.43271844457201236
Energy: 0.34744910695082154
Energy: 0.43271723782227295
Energy: 0.43271859800012086
Energy: 0.5041224824244359
Energy: 0.432717750856102
Energy: 0.43271816087057163
Energy: 0.4956109146161279
Energy: 0.4327182422796194
Energy: 0.4327182591914946
Energy: 0.3483912447497952
Energy: 0.41079187079717405
Energy: 0.41079185298942267
   minimum gb energy = 0.3452760146553431 eV
   minimum distance = 2.59827709734266 Angstroms
   sigma value = 15

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

Energy: 0.5097416842148221
Energy: 0.3553259524161922
Energy: 0.35532603832019755
Energy: 0.4165530521410782
Energy: 0.43459943155083913
Energy: 0.43459947950041944
Energy: 0.3361343268091327
Energy: 0.35586539049105664
Energy: 0.35586552146231837
Energy: 0.3634055102437164
Energy: 0.35364799130133745
Energy: 0.3536479826346535
Energy: 0.5323833245780807
Energy: 0.3735497691888266
Energy: 0.3735506798105654
Energy: 0.33976818205472026
Energy: 0.41619547488243747
Energy: 0.41618911923839713
Energy: 0.33189479850487197
Energy: 0.4911779745369553
Energy: 0.4911788704261341
Energy: 0.5692578704356127
Energy: 0.41806639621908454
Energy: 0.4180648931784529
Energy: 0.3408430842670422
Energy: 0.3856230257475807
Energy: 0.3856228896560501
Energy: 0.3294514986712308
Energy: 0.5023485993416785
Energy: 0.5023431416493833
   minimum gb energy = 0.3294514986712308 eV
   minimum distance = 2.49754416295219 Angstroms
   sigma value = 145

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

Energy: 0.4609161939827236
Energy: 0.33181956712345795
Energy: 0.3318195716152232
Energy: 0.3295207834822314
Energy: 0.34325492782838624
Energy: 0.3432534878906444
Energy: 0.32115240711727955
Energy: 0.45884972235385146
Energy: 0.45885024596710733
Energy: 0.31670876743448595
Energy: 0.45079700679803963
Energy: 0.45079713634455887
Energy: 0.32115160150426103
Energy: 0.45079717737117586
Energy: 0.4507969035505354
Energy: 0.3211523604941242
Energy: 0.34325342936887804
Energy: 0.3432539164221505
Energy: 0.32952100838840725
Energy: 0.3359441665856397
Energy: 0.33594573533874866
Energy: 0.46091585731159157
Energy: 0.34325347508398746
Energy: 0.3432554390197866
Energy: 0.40646477723413693
Energy: 0.4553887468831448
Energy: 0.45538880073032134
Energy: 0.34226495650365796
Energy: 0.32058499947287156
Energy: 0.3205848763652152
   minimum gb energy = 0.31670876743448595 eV
   minimum distance = 2.58568643398946 Angstroms
   sigma value = 85

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

Energy: 0.5051444512372106
Energy: 0.3287421403935769
Energy: 0.3287425412901836
Energy: 0.3133774426674518
Energy: 0.3911957390327568
Energy: 0.3911961797514435
Energy: 0.3137083615568087
Energy: 0.3254464856065714
Energy: 0.32544637500798096
Energy: 0.3773974160303252
Energy: 0.33562868341052193
Energy: 0.33562868428936193
Energy: 0.37739737644911103
Energy: 0.35665027452216086
Energy: 0.3566499568072008
Energy: 0.3119160099368702
Energy: 0.38493684033657566
Energy: 0.3849368310221455
Energy: 0.31027604297728345
Energy: 0.356671024438407
Energy: 0.35667100768142795
Energy: 0.5533004353399169
Energy: 0.4091443389872958
Energy: 0.4091444762381915
Energy: 0.3890225535628664
Energy: 0.4415431742055857
Energy: 0.4415431707648248
Energy: 0.3085734284917774
Energy: 0.44229372492685276
Energy: 0.4422939610315745
   minimum gb energy = 0.3085734284917774 eV
   minimum distance = 2.49906827847314 Angstroms
   sigma value = 197

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

Energy: 0.4345501233371624
Energy: 0.3147077227177323
Energy: 0.3147079323761272
Energy: 0.3193560114922267
Energy: 0.31935937173164486
Energy: 0.3193596568553668
Energy: 0.2895021601492961
Energy: 0.3882779185136441
Energy: 0.3882779185168904
Energy: 0.2901540632099345
Energy: 0.41564081236889394
Energy: 0.41564076173849845
Energy: 0.36299825932550556
Energy: 0.4156414575564558
Energy: 0.4156408119600258
Energy: 0.2895021646406705
Energy: 0.36729384970580303
Energy: 0.36729359499681224
Energy: 0.40234233736821273
Energy: 0.3304340345272084
Energy: 0.33043525491439785
Energy: 0.43455012334782894
Energy: 0.31935820724405733
Energy: 0.3193604088195203
Energy: 0.3193622080257576
Energy: 0.30149950481141236
Energy: 0.30149959027792766
Energy: 0.3022116542024791
Energy: 0.3193559932680348
Energy: 0.3193593606438653
   minimum gb energy = 0.2895021601492961 eV
   minimum distance = 2.60562302643263 Angstroms
   sigma value = 113

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

Energy: 0.44859542424344534
Energy: 0.2963702228408512
Energy: 0.2963701656233655
Energy: 0.4686611597127487
Energy: 0.33491816988369916
Energy: 0.3349180723732623
Energy: 0.2793862520876446
Energy: 0.30820225818527264
Energy: 0.3082022480268189
Energy: 0.2793865850511027
Energy: 0.308202553738299
Energy: 0.3082022366762819
Energy: 0.27090207732553173
Energy: 0.3920577607037841
Energy: 0.39205778467217817
Energy: 0.28591229507843696
Energy: 0.2916647266658408
Energy: 0.29166472666338433
Energy: 0.43107376218119897
Energy: 0.38490962352925073
Energy: 0.38490971000837193
Energy: 0.48791814121815064
Energy: 0.30820247448352756
Energy: 0.30820260806258354
Energy: 0.3784898713425814
Energy: 0.30820236690628705
Energy: 0.30820257066607154
Energy: 0.3349114323484516
Energy: 0.3844214835166288
Energy: 0.3844217052644606
   minimum gb energy = 0.27090207732553173 eV
   minimum distance = 2.52233314416529 Angstroms
   sigma value = 145

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

Energy: 0.45947470785895694
Energy: 0.3225421940949009
Energy: 0.3225423478431974
Energy: 0.4040969902311268
Energy: 0.2825942587534471
Energy: 0.28259426909580115
Energy: 0.2609050015977249
Energy: 0.320842630510749
Energy: 0.3208429533335093
Energy: 0.2706741376066202
Energy: 0.28259428648628204
Energy: 0.28259588127360724
Energy: 0.26124282574858887
Energy: 0.297499412192408
Energy: 0.29749947545119493
Energy: 0.3128535424015939
Energy: 0.3645431171685809
Energy: 0.36454318579360345
Energy: 0.28259497578862264
Energy: 0.28259434118757376
Energy: 0.28259533126363917
Energy: 0.45816060033492195
Energy: 0.2898310752989399
Energy: 0.2898319268675308
Energy: 0.4726786626299055
Energy: 0.30965403941219033
Energy: 0.3096532050106564
Energy: 0.2706741726333581
Energy: 0.29750003172402534
Energy: 0.2974993566640784
   minimum gb energy = 0.2609050015977249 eV
   minimum distance = 2.60691023073239 Angstroms
   sigma value = 181

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

Energy: 0.4332892578200017
Energy: 0.2709359715675297
Energy: 0.27093327175393417
Energy: 0.33319206161742904
Energy: 0.3597509416447644
Energy: 0.35977520490792536
Energy: 0.2535470846624105
Energy: 0.3102593066734366
Energy: 0.31025987084487133
Energy: 0.25354619540981277
Energy: 0.26817112969124646
Energy: 0.2681711246940171
Energy: 0.253545858499474
Energy: 0.2740451286213815
Energy: 0.27404512857133745
Energy: 0.25354672686582835
Energy: 0.2805502055924333
Energy: 0.2805465933714038
Energy: 0.3331926544328383
Energy: 0.27404512859352564
Energy: 0.2740451285955154
Energy: 0.4608455583814358
Energy: 0.27404512853088014
Energy: 0.2740451285567463
Energy: 0.3331923914545246
Energy: 0.2740451285593993
Energy: 0.27404512861176455
Energy: 0.24616679261122432
Energy: 0.274045128554425
Energy: 0.274045183532359
   minimum gb energy = 0.24616679261122432 eV
   minimum distance = 2.60319164306359 Angstroms
   sigma value = 55

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

Energy: 0.4294739080282972
Energy: 0.2959489732729044
Energy: 0.29594897328744063
Energy: 0.34003050238077376
Energy: 0.26342956870280937
Energy: 0.26342964090968285
Energy: 0.3585774902026322
Energy: 0.264881255387054
Energy: 0.2648814044660461
Energy: 0.23404088100532416
Energy: 0.26598440793515143
Energy: 0.2659844079672523
Energy: 0.24685491060706752
Energy: 0.26395826260736177
Energy: 0.2639558594618497
Energy: 0.2413108460222288
Energy: 0.25555706438319375
Energy: 0.2555552279965353
Energy: 0.4694724585058072
Energy: 0.2428383180764626
Energy: 0.24283770377134678
Energy: 0.48010403095495635
Energy: 0.2659844079300032
Energy: 0.26598440796513245
Energy: 0.34002996526625173
Energy: 0.25095854114406874
Energy: 0.250958179159809
Energy: 0.25750226462187137
Energy: 0.2659844080217355
Energy: 0.2659844080296093
   minimum gb energy = 0.23404088100532416 eV
   minimum distance = 2.60329864791204 Angstroms
   sigma value = 265

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

Energy: 0.4422750182488693
Energy: 0.2476883344017742
Energy: 0.24768892276051402
Energy: 0.4589351346960262
Energy: 0.2970675599432771
Energy: 0.2970675583662632
Energy: 0.23368198590931077
Energy: 0.24466754188881157
Energy: 0.2446675363747598
Energy: 0.2207789605323549
Energy: 0.24893184651024997
Energy: 0.2489345537580948
Energy: 0.23368208078078187
Energy: 0.24466754680594177
Energy: 0.2446675538604789
Energy: 0.22774420724276068
Energy: 0.24893525856391552
Energy: 0.2489331367443622
Energy: 0.3002322127229899
Energy: 0.25357964222076607
Energy: 0.25358074350740933
Energy: 0.44003891089281105
Energy: 0.24893191602734732
Energy: 0.24893210288787054
Energy: 0.3680793860369558
Energy: 0.25357631479459253
Energy: 0.253576313240732
Energy: 0.23050040147715162
Energy: 0.24893275184246064
Energy: 0.24893274018050157
   minimum gb energy = 0.2207789605323549 eV
   minimum distance = 2.600839253288 Angstroms
   sigma value = 39

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

Energy: 0.42170345014230703
Energy: 0.238552965016912
Energy: 0.23855320445382447
Energy: 0.29002540750167327
Energy: 0.23880190600437595
Energy: 0.23880230509206044
Energy: 0.2579556945929588
Energy: 0.23503685009734127
Energy: 0.23503684531928867
Energy: 0.21137262506609245
Energy: 0.23503658166942276
Energy: 0.23503644413824457
Energy: 0.21803311336101763
Energy: 0.24273071025446052
Energy: 0.24273065071679692
Energy: 0.2226898122930225
Energy: 0.28137240702923555
Energy: 0.2813756209267575
Energy: 0.2900304565645944
Energy: 0.2350372748489135
Energy: 0.23503677412498206
Energy: 0.46486303186119726
Energy: 0.2350366538515995
Energy: 0.23503724554342736
Energy: 0.4358102407023225
Energy: 0.2815103445469451
Energy: 0.28151038734293965
Energy: 0.2754119313658973
Energy: 0.2350364227397547
Energy: 0.2350386775714186
   minimum gb energy = 0.21137262506609245 eV
   minimum distance = 2.59831422761336 Angstroms
   sigma value = 91

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

Energy: 0.40358940633434526
Energy: 0.22967217573364188
Energy: 0.22967199146911715
Energy: 0.28093730140397805
Energy: 0.22984458461703727
Energy: 0.22984317362174092
Energy: 0.21328112253530043
Energy: 0.23332184154124097
Energy: 0.23332187851138694
Energy: 0.20958152191698504
Energy: 0.23693357630135503
Energy: 0.23693485918855062
Energy: 0.20675436296819255
Energy: 0.22984299412675574
Energy: 0.22984249810193402
Energy: 0.3673832289040961
Energy: 0.27033777724309327
Energy: 0.27033778424133903
Energy: 0.38063118070810203
Energy: 0.2493413744177689
Energy: 0.24934140044384825
Energy: 0.4442270521557539
Energy: 0.2333218831704479
Energy: 0.23332187606893148
Energy: 0.3340709674411997
Energy: 0.23693282075571495
Energy: 0.23693332019078306
Energy: 0.2180851954635981
Energy: 0.26598190132225047
Energy: 0.2659819217957856
   minimum gb energy = 0.20675436296819255 eV
   minimum distance = 2.59808488160117 Angstroms
   sigma value = 105

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

Energy: 0.011789639618135719
Energy: 0.011789639613956567
Energy: 0.011789639618492234
Energy: 0.011789639625800794
Energy: 0.17665892536682976
Energy: 0.1766589253706722
Energy: 0.011789639624414346
Energy: 0.17665892536823602
Energy: 0.17665892536823602
Energy: 0.011789639613263346
Energy: 0.17665892536892921
Energy: 0.17665892536682976
Energy: 0.011789639617442496
Energy: 0.17665892536718625
Energy: 0.17665892536370031
Energy: 0.011789639627900271
Energy: 0.17665892536682976
Energy: 0.17665892536160085
Energy: 0.011789639613619859
Energy: 0.17665892536682976
Energy: 0.1766589253626506
Energy: 0.011789639615362823
Energy: 0.01178963962405783
Energy: 0.011789639616056046
Energy: 0.011789639613263346
Energy: 0.17665892536300712
Energy: 0.1766589253539358
Energy: 0.011789639619185457
Energy: 0.17665892536892921
Energy: 0.17665892536823602
   minimum gb energy = 0.011789639613263346 eV
   minimum distance = 2.84302861640288 Angstroms
   sigma value = 1