model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Al__MO_279544746097_002
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=4.039798453450203
cohesive_energy=2.8885682080333717
mass=26.981538


Isolated atom energy: 0.0 eV

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

Energy: 0.008921132581623397
Energy: 0.008921132585055397
Energy: 0.008921132583576569
Energy: 0.008921132579167983
Energy: 0.008921132583576569
Energy: 0.008921132581121155
Energy: 0.008921132581623397
Energy: 0.008921132583576569
Energy: 0.008921132581121155
Energy: 0.008921132579167983
Energy: 0.008921132581623397
Energy: 0.008921132579167983
Energy: 0.008921132579656276
Energy: 0.008921132584078813
Energy: 0.008921132580632861
Energy: 0.14446905956812284
Energy: 0.008921132580144568
Energy: 0.008921132580632861
Energy: 0.00892113258211169
Energy: 0.008921132579656276
Energy: 0.00892113258211169
Energy: 0.008921132581121155
Energy: 0.008921132581623397
Energy: 0.00892113258211169
Energy: 0.008921132581121155
Energy: 0.008921132580632861
Energy: 0.008921132581623397
Energy: 0.008921132582599982
Energy: 0.008921132581121155
Energy: 0.008921132580632861
   minimum gb energy = 0.008921132579167983 eV
   minimum distance = 2.85645076047734 Angstroms
   sigma value = 1

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

Energy: 0.6424755265784297
Energy: 0.6593066425945104
Energy: 0.6593034502428057
Energy: 0.580159476425678
Energy: 0.6592187160110539
Energy: 0.6592182960202049
Energy: 0.5853175091484487
Energy: 0.6393610411932142
Energy: 0.6393567368154359
Energy: 0.585255040565982
Energy: 0.5804789042812738
Energy: 0.5804953872109105
Energy: 0.5914897740593577
Energy: 0.6592220957592191
Energy: 0.6592183741848008
Energy: 0.5482010289906811
Energy: 0.6681158692436086
Energy: 0.6681120921855805
Energy: 0.5854191766436825
Energy: 0.659224105160453
Energy: 0.6592284343631097
Energy: 0.5854099265324496
Energy: 0.5828527918301445
Energy: 0.5828562611308691
Energy: 0.5914747267352801
Energy: 0.5828357839251617
Energy: 0.582831519160257
Energy: 0.5853250004636039
Energy: 0.6681124124949274
Energy: 0.6681124789881053
   minimum gb energy = 0.5482010289906811 eV
   minimum distance = 2.52775667025375 Angstroms
   sigma value = 113

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

Energy: 0.6715028318313649
Energy: 0.6912832714557575
Energy: 0.6912831482564998
Energy: 0.5493927127160675
Energy: 0.6878545343188619
Energy: 0.68785000216954
Energy: 0.6046011686875709
Energy: 0.6912056947531366
Energy: 0.6912087387013094
Energy: 0.6071137838825116
Energy: 0.6878518977722315
Energy: 0.6878517074163274
Energy: 0.5729009781190662
Energy: 0.6912057730177747
Energy: 0.6912072164664974
Energy: 0.619626947288335
Energy: 0.6878471596636021
Energy: 0.6878532929604193
Energy: 0.5756923743958107
Energy: 0.6912059472747152
Energy: 0.691206124101412
Energy: 0.5581123771904519
Energy: 0.6878524040530487
Energy: 0.6878519436528687
Energy: 0.607093587349752
Energy: 0.6912068810600566
Energy: 0.6912070059331182
Energy: 0.5976053628002926
Energy: 0.6998391109187575
Energy: 0.6998350291195081
   minimum gb energy = 0.5493927127160675 eV
   minimum distance = 2.5254790215293 Angstroms
   sigma value = 197

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

Energy: 0.7034113097150008
Energy: 0.7159318046204366
Energy: 0.7159334906458457
Energy: 0.6366416394385555
Energy: 0.7157690953852208
Energy: 0.7157698519877987
Energy: 0.6411981957738075
Energy: 0.6372455835615037
Energy: 0.6372465876568763
Energy: 0.6372666128980424
Energy: 0.862474121109925
Energy: 0.8624751976321372
Energy: 0.644866311243278
Energy: 0.7175922233024622
Energy: 0.7175882746840769
Energy: 0.5992017024392564
Energy: 0.7271662418900691
Energy: 0.7271519986296376
Energy: 0.6373610866554286
Energy: 0.6413326567919014
Energy: 0.6413321112723299
Energy: 0.644843772322136
Energy: 0.8728439500262319
Energy: 0.8728438329161708
Energy: 0.644859552410127
Energy: 0.6413321656302181
Energy: 0.6413327320897735
Energy: 0.6343850887784346
Energy: 0.7271531416812078
Energy: 0.7271514874567389
   minimum gb energy = 0.5992017024392564 eV
   minimum distance = 2.52632613638118 Angstroms
   sigma value = 169

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

Energy: 0.7384476194651763
Energy: 0.7554115604040231
Energy: 0.75541866992401
Energy: 0.6715157037582586
Energy: 0.6684655000518499
Energy: 0.6681456616090066
Energy: 0.6639168461393942
Energy: 0.7487653909101539
Energy: 0.7487648344442397
Energy: 0.6641688495046304
Energy: 0.7552528812191245
Energy: 0.7552558835774015
Energy: 0.681093433648755
Energy: 0.6764023052521257
Energy: 0.6763933364152713
Energy: 0.6809051042856288
Energy: 0.7504106289735729
Energy: 0.7504133989584985
Energy: 0.6810932712608668
Energy: 0.6558389483542993
Energy: 0.6559620472129664
Energy: 0.6581610710688981
Energy: 0.7552528063093764
Energy: 0.7552546443677562
Energy: 0.6718346735987457
Energy: 0.7468418734819593
Energy: 0.746840324675065
Energy: 0.6766385482368273
Energy: 0.7432182513514277
Energy: 0.743222508238483
   minimum gb energy = 0.6558389483542993 eV
   minimum distance = 2.51871023933283 Angstroms
   sigma value = 145

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

Energy: 0.7778802847074668
Energy: 0.8003023261476009
Energy: 0.8003022645486368
Energy: 0.7233416693738945
Energy: 0.7930544236749999
Energy: 0.7930534627481869
Energy: 0.7109642325079615
Energy: 0.7853744035930317
Energy: 0.7853744082219815
Energy: 0.701394400824109
Energy: 0.8056275282884329
Energy: 0.8056267740047295
Energy: 0.7107618246032305
Energy: 0.7106113111618328
Energy: 0.7106055547535218
Energy: 0.6634749710927149
Energy: 0.8001922924804665
Energy: 0.8001922349144991
Energy: 0.7107618379261382
Energy: 0.7009741847720639
Energy: 0.7009740155121144
Energy: 0.7107622135287859
Energy: 0.7064887246846635
Energy: 0.7064881023355282
Energy: 0.6765328729410728
Energy: 0.7853744340247643
Energy: 0.7853755345792761
Energy: 0.710761825516046
Energy: 0.7065266667991618
Energy: 0.7065266733839516
   minimum gb energy = 0.6634749710927149 eV
   minimum distance = 2.56310002503334 Angstroms
   sigma value = 61

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

Energy: 0.8158135990452379
Energy: 0.83516266722886
Energy: 0.835162618625804
Energy: 0.7441335013604294
Energy: 0.8351626289253005
Energy: 0.8351626774306719
Energy: 0.756380598190225
Energy: 0.8438369349180695
Energy: 0.8438374848473189
Energy: 0.7441967699443951
Energy: 0.8059729944068821
Energy: 0.8059758871481817
Energy: 0.7560694946129719
Energy: 0.8031443742429327
Energy: 0.8031610198544709
Energy: 0.7560695651508895
Energy: 0.8494989711766165
Energy: 0.8494977957273813
Energy: 0.7442420336371858
Energy: 0.8494979611347739
Energy: 0.849504004287938
Energy: 0.7569386585848971
Energy: 0.8388295648161437
Energy: 0.8388295796687743
Energy: 0.7563805043151883
Energy: 0.7507101807779805
Energy: 0.7507108442781534
Energy: 0.7560691896126729
Energy: 0.8050016366488059
Energy: 0.8050022756147222
   minimum gb energy = 0.7441335013604294 eV
   minimum distance = 2.50731449192725 Angstroms
   sigma value = 101

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

Energy: 0.831858109736293
Energy: 0.8902567098976595
Energy: 0.8902577088537246
Energy: 0.7317228678977531
Energy: 0.8899917934872086
Energy: 0.8899908943261465
Energy: 0.7906798158914479
Energy: 0.8899907858726669
Energy: 0.889991972461215
Energy: 0.7188886739368684
Energy: 0.8899891910548212
Energy: 0.8899900697381234
Energy: 0.7188881903333427
Energy: 0.8899910706543197
Energy: 0.8899911815465443
Energy: 0.7549130360570317
Energy: 0.889991576943449
Energy: 0.8899900400365036
Energy: 0.7970802105333631
Energy: 0.8899910556124316
Energy: 0.8899912103786926
Energy: 0.7906783738537012
Energy: 0.8899886708605109
Energy: 0.8899891650652908
Energy: 0.7317484517370694
Energy: 0.8899908411149814
Energy: 0.8899856902977622
Energy: 0.8064879790409246
Energy: 0.8899923227660544
Energy: 0.8899923372550324
   minimum gb energy = 0.7188881903333427 eV
   minimum distance = 2.51393652035826 Angstroms
   sigma value = 81

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

Energy: 0.8950843492765035
Energy: 0.9457675318415919
Energy: 0.9457662964306003
Energy: 0.7711455528043735
Energy: 0.8148913585802631
Energy: 0.8148592721285635
Energy: 0.7711458259106004
Energy: 0.8569745089347176
Energy: 0.8570251335063944
Energy: 0.8587762620213868
Energy: 0.7764275129930035
Energy: 0.7764228369237998
Energy: 0.781774684199293
Energy: 0.8713045167158306
Energy: 0.8713045181259003
Energy: 0.7817758287861732
Energy: 0.9475171089386565
Energy: 0.9475413460807135
Energy: 0.7817765064325722
Energy: 0.8218855221700841
Energy: 0.8219605409159716
Energy: 0.85880816003984
Energy: 0.819450647165219
Energy: 0.8194457574871188
Energy: 0.7711455551715538
Energy: 0.8148589872960192
Energy: 0.8148592847388979
Energy: 0.871650310763542
Energy: 0.9384030333161854
Energy: 0.9384016028379836
   minimum gb energy = 0.7711455528043735 eV
   minimum distance = 2.50164149122621 Angstroms
   sigma value = 1

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

Energy: 0.8648945764258146
Energy: 0.9796832608739483
Energy: 0.9796953538902347
Energy: 0.8051139920169315
Energy: 0.8881272893344059
Energy: 0.8881265878312905
Energy: 0.8928980223457855
Energy: 0.9260523187851475
Energy: 0.9261743957364587
Energy: 0.8369727873640488
Energy: 0.9796982484385772
Energy: 0.9796981839494121
Energy: 0.8908540695424555
Energy: 0.8859384417024255
Energy: 0.8858986157026927
Energy: 0.8417734740144832
Energy: 0.9529211970992922
Energy: 0.952980373958552
Energy: 0.8693929180385765
Energy: 0.97967722503702
Energy: 0.9796994300673435
Energy: 0.8906808979668087
Energy: 0.8909330530782625
Energy: 0.8911756773055256
Energy: 0.795005152911527
Energy: 0.9857885457527907
Energy: 0.9857886768415122
Energy: 0.9000361872796805
Energy: 0.9464278335371948
Energy: 0.946427848836534
   minimum gb energy = 0.795005152911527 eV
   minimum distance = 2.49375270753732 Angstroms
   sigma value = 229

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

Energy: 0.8577861925753514
Energy: 1.0102752508743258
Energy: 1.0102752574399652
Energy: 0.9263357261399594
Energy: 0.9235114282308208
Energy: 0.9235093587128865
Energy: 0.910884067717603
Energy: 1.0102752486300304
Energy: 1.010275257449688
Energy: 0.9108839574896233
Energy: 1.0102752297453257
Energy: 1.0102752917467117
Energy: 0.9185111698068099
Energy: 0.9438735380780402
Energy: 0.9438737270970053
Energy: 0.8642164895385339
Energy: 1.0102752297134105
Energy: 1.0102753193934306
Energy: 0.9111074246896191
Energy: 0.9185143933354041
Energy: 0.9185112202298421
Energy: 0.8173332052334266
Energy: 1.0102752344991197
Energy: 1.0102755573366742
Energy: 0.9108853869699568
Energy: 0.8260190541027634
Energy: 0.8259951029730377
Energy: 0.9265370525219142
Energy: 0.9747804453804663
Energy: 0.9748000346067899
   minimum gb energy = 0.8173332052334266 eV
   minimum distance = 2.50097738644324 Angstroms
   sigma value = 25

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

Energy: 0.8981472911790168
Energy: 1.0354038567312946
Energy: 1.035391738850157
Energy: 0.8534154574088899
Energy: 1.0418246199546457
Energy: 1.0418253316063102
Energy: 0.8492192423775636
Energy: 1.060347729678935
Energy: 1.0603477347271815
Energy: 0.9078652532233685
Energy: 1.0419045428997422
Energy: 1.0419015778211658
Energy: 0.9585580405993616
Energy: 1.0354826657602367
Energy: 1.035383033885515
Energy: 0.9326018895942395
Energy: 1.0419332361750047
Energy: 1.0417837729190598
Energy: 0.9025207164383154
Energy: 1.0353141274310307
Energy: 1.0354108222031924
Energy: 0.9517873575403162
Energy: 0.958548806815912
Energy: 0.9593965981152254
Energy: 0.9358018705385295
Energy: 1.0509286095550423
Energy: 1.0509417209277776
Energy: 0.9332804707986676
Energy: 0.9864118358879866
Energy: 0.9864231948105544
   minimum gb energy = 0.8492192423775636 eV
   minimum distance = 2.50296849445672 Angstroms
   sigma value = 173

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

Energy: 1.023054403237169
Energy: 1.0932305125508615
Energy: 1.0932299616641008
Energy: 0.9873746060937861
Energy: 0.9873742878778122
Energy: 0.9873735312918671
Energy: 1.003176247409043
Energy: 1.0663796574080084
Energy: 1.0663809253719296
Energy: 0.9613677696927109
Energy: 1.093166247533619
Energy: 1.0931678275974175
Energy: 0.9873765872694381
Energy: 0.9873735613912882
Energy: 0.9873739771877075
Energy: 0.9873735097173374
Energy: 0.9908068249701149
Energy: 0.9908120895641154
Energy: 0.8781800416932464
Energy: 1.058551681995831
Energy: 1.0585469904263656
Energy: 0.9406856139436223
Energy: 1.0522789217133792
Energy: 1.0522770490607578
Energy: 0.9359934410731409
Energy: 0.9873734439261392
Energy: 0.9873733935037965
Energy: 0.9873733679186089
Energy: 0.9372446029337218
Energy: 0.9372446442105891
   minimum gb energy = 0.8781800416932464 eV
   minimum distance = 2.52507993129695 Angstroms
   sigma value = 9

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

Energy: 1.0921292787481416
Energy: 1.1433872033872963
Energy: 1.1433329094700622
Energy: 0.9735044888420978
Energy: 1.191527884946144
Energy: 1.1915490596560412
Energy: 1.044874771934755
Energy: 1.0397490581732656
Energy: 1.0397511023023243
Energy: 1.0273607111077472
Energy: 1.0975486026882921
Energy: 1.0975473510732858
Energy: 1.0349742476428347
Energy: 1.0425602732664765
Energy: 1.042571474559623
Energy: 1.0140830849181761
Energy: 1.0349634223270927
Energy: 1.0348855898133682
Energy: 1.0278132108198692
Energy: 0.9923325558303526
Energy: 0.9923237891672088
Energy: 1.0151012502639616
Energy: 1.0278131559908856
Energy: 1.027816102403032
Energy: 1.0348850273173607
Energy: 0.9622497540269683
Energy: 0.9622188996871571
Energy: 0.969987778779486
Energy: 1.0348872682596797
Energy: 1.0348860292478255
   minimum gb energy = 0.9622188996871571 eV
   minimum distance = 2.53689158972626 Angstroms
   sigma value = 31

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

Energy: 1.1091262270118993
Energy: 1.0722572740497711
Energy: 1.0722573338235737
Energy: 0.9440333216273988
Energy: 1.063782433003076
Energy: 1.0637826795281509
Energy: 1.1002389976271654
Energy: 1.1510878207120903
Energy: 1.1510871121135389
Energy: 1.075848026221576
Energy: 0.9695544710315439
Energy: 0.9695543781728804
Energy: 1.0758480279177791
Energy: 1.0092323322962375
Energy: 1.009231015840121
Energy: 1.0092397759416203
Energy: 1.0637824329992234
Energy: 1.0637843418342103
Energy: 0.9440330855029812
Energy: 1.09962666483149
Energy: 1.099627014078699
Energy: 0.9440330773973302
Energy: 1.009230994853061
Energy: 1.0092310083602176
Energy: 1.0326252685736879
Energy: 1.018112737650152
Energy: 1.0181127248457467
Energy: 1.032625169898579
Energy: 1.0181135148588156
Energy: 1.0181157661522802
   minimum gb energy = 0.9440330773973302 eV
   minimum distance = 2.52839409979286 Angstroms
   sigma value = 25

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

Energy: 1.1307016654858304
Energy: 1.0924079414724976
Energy: 1.092902421726328
Energy: 1.0818767681162982
Energy: 1.0210846444783275
Energy: 1.020924293840534
Energy: 1.0819115104774146
Energy: 1.0209243371255117
Energy: 1.0210283232627946
Energy: 1.1068715930601656
Energy: 1.0943426135315282
Energy: 1.094349175511202
Energy: 1.0850169043782614
Energy: 1.0319024805206372
Energy: 1.0318940164461416
Energy: 1.081965170416039
Energy: 1.0474654843191538
Energy: 1.0477814769261722
Energy: 1.0521261700410618
Energy: 1.0943576020047834
Energy: 1.0944266932369497
Energy: 1.0788216822558403
Energy: 1.0523869160388317
Energy: 1.0525535462066353
Energy: 1.081931551656764
Energy: 1.0600629205434833
Energy: 1.0600502752731449
Energy: 0.9978101481790435
Energy: 1.0945475802414344
Energy: 1.09476096655325
   minimum gb energy = 0.9978101481790435 eV
   minimum distance = 2.53848202855999 Angstroms
   sigma value = 205

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

Energy: 1.1170479539134484
Energy: 1.0931293689079011
Energy: 1.093069320047156
Energy: 1.034163805520949
Energy: 1.0797930937958669
Energy: 1.0797993086448732
Energy: 1.0123252825078084
Energy: 1.0441495160618055
Energy: 1.0442242950721885
Energy: 1.080092535034908
Energy: 1.0325946481365436
Energy: 1.0324855488253337
Energy: 1.039495416425728
Energy: 1.0002241870964754
Energy: 1.0001927574093243
Energy: 1.119907389052712
Energy: 1.0797817677170944
Energy: 1.0797842303095364
Energy: 1.0931832369681038
Energy: 1.0798973901934596
Energy: 1.0798084779598818
Energy: 1.0236105397650959
Energy: 1.0798122078831298
Energy: 1.0798018712764936
Energy: 1.09406135505978
Energy: 1.0863853665690428
Energy: 1.0863797517823839
Energy: 1.0001269623953173
Energy: 1.060050099943466
Energy: 1.0599680914248324
   minimum gb energy = 1.0001269623953173 eV
   minimum distance = 2.49765735084951 Angstroms
   sigma value = 85

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

Energy: 1.1365682909651966
Energy: 1.0856866451245477
Energy: 1.0856864178265515
Energy: 1.064826004757997
Energy: 1.0858630492137513
Energy: 1.085688937735501
Energy: 1.0648406681429217
Energy: 1.081532483468976
Energy: 1.081525894710244
Energy: 1.0648269585575236
Energy: 1.0692379414694815
Energy: 1.0694971726003857
Energy: 1.0130845298324191
Energy: 1.081450447536093
Energy: 1.081591384818133
Energy: 1.0457211208655006
Energy: 1.1492735676445862
Energy: 1.1492723363154933
Energy: 1.0672293248351135
Energy: 1.0741562957365607
Energy: 1.0741860099708418
Energy: 1.0385727340437048
Energy: 1.0692353206628704
Energy: 1.069235159459648
Energy: 1.0405978351947995
Energy: 1.0815310402985268
Energy: 1.0815471880725775
Energy: 1.0048105113960508
Energy: 1.0815651177852765
Energy: 1.081549528276036
   minimum gb energy = 1.0048105113960508 eV
   minimum distance = 2.55552518789364 Angstroms
   sigma value = 89

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

Energy: 1.0353910779394242
Energy: 1.0600225664460048
Energy: 1.0600226773538466
Energy: 1.1636051246908516
Energy: 1.0182371206370116
Energy: 1.0182500698872858
Energy: 1.1880271606061183
Energy: 1.029326015989466
Energy: 1.0293265555245477
Energy: 1.0182400777748126
Energy: 1.0260555120934436
Energy: 1.0260557782715496
Energy: 1.1052088034693228
Energy: 1.0182331252199408
Energy: 1.0182390395490863
Energy: 1.0182416020585467
Energy: 1.0743958335146424
Energy: 1.0743954766461332
Energy: 1.1052086574327344
Energy: 1.2668741753530428
Energy: 1.2668745250391358
Energy: 1.0182351085654313
Energy: 1.0743961036643614
Energy: 1.0743970340371023
Energy: 1.0182381201648185
Energy: 1.0293299590783394
Energy: 1.029326020580128
Energy: 1.0260554740753163
Energy: 1.018272517721511
Energy: 1.0182331448266413
   minimum gb energy = 1.0182331252199408 eV
   minimum distance = 2.55779339666194 Angstroms
   sigma value = 17

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

Energy: 1.131909341515991
Energy: 1.0871264365740505
Energy: 1.0871120065320101
Energy: 1.0519353485738003
Energy: 1.0808446023876574
Energy: 1.081000464496827
Energy: 1.0897231716957452
Energy: 1.089907517371262
Energy: 1.0899294236870931
Energy: 1.1201779154286537
Energy: 1.09127349919299
Energy: 1.0913393040655577
Energy: 1.0785990828349934
Energy: 1.0866911090383244
Energy: 1.0866867121977197
Energy: 1.132253635265355
Energy: 1.1104088911503351
Energy: 1.110911593725329
Energy: 1.0784160880955678
Energy: 1.087939909650056
Energy: 1.0879880419764172
Energy: 1.042233308162256
Energy: 1.058363524404405
Energy: 1.0583799530504212
Energy: 1.1356936657333074
Energy: 1.1060748112879741
Energy: 1.1063228512155274
Energy: 1.088652598062032
Energy: 1.091263704422878
Energy: 1.0912733135027863
   minimum gb energy = 1.042233308162256 eV
   minimum distance = 2.56294732857785 Angstroms
   sigma value = 241

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

Energy: 1.1356260723996685
Energy: 1.0768462575949649
Energy: 1.0768483919777874
Energy: 1.0888348914564274
Energy: 1.0991157719545388
Energy: 1.0991180805873741
Energy: 1.1781226827799645
Energy: 1.1045612646310508
Energy: 1.1045596580232215
Energy: 1.0888729116913975
Energy: 1.0768470461594786
Energy: 1.0768463875159264
Energy: 1.0530348310348354
Energy: 1.07685899682089
Energy: 1.076851483684782
Energy: 1.1831125434683605
Energy: 1.162322396568396
Energy: 1.1623289456014354
Energy: 1.0992287105600984
Energy: 1.1993017636629528
Energy: 1.1992772061346018
Energy: 1.0888627654887557
Energy: 1.0768479732471161
Energy: 1.0768461228875044
Energy: 1.0530905653035767
Energy: 1.0991155541293316
Energy: 1.0991155757305007
Energy: 1.1566431439093907
Energy: 1.0693478522903743
Energy: 1.069566543577641
   minimum gb energy = 1.0530348310348354 eV
   minimum distance = 2.55478327537053 Angstroms
   sigma value = 65

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

Energy: 1.116051745233183
Energy: 1.0698820181316258
Energy: 1.0698717691049378
Energy: 1.0476119762772933
Energy: 1.1200315232655178
Energy: 1.1200427217264155
Energy: 1.0476116301580862
Energy: 1.0928492396767246
Energy: 1.0928449406449792
Energy: 1.1051843843612175
Energy: 1.0476100948376676
Energy: 1.0476121818083404
Energy: 1.241627474632693
Energy: 1.0538122220410966
Energy: 1.0538110893660229
Energy: 1.2094021009564304
Energy: 1.111831612851093
Energy: 1.1118382936248261
Energy: 1.0476121056829697
Energy: 1.0932043123507689
Energy: 1.0929478024193846
Energy: 1.0865886773778575
Energy: 1.0476117758861034
Energy: 1.0476124891235117
Energy: 1.0538110963425384
Energy: 1.069864842185097
Energy: 1.0699253072686419
Energy: 1.0476121372630205
Energy: 1.1528367215287405
Energy: 1.152825400658949
   minimum gb energy = 1.0476100948376676 eV
   minimum distance = 2.56745450465602 Angstroms
   sigma value = 53

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

Energy: 1.1451699750534625
Energy: 1.065841710545801
Energy: 1.0658415367734688
Energy: 1.250972595441077
Energy: 1.204848249785603
Energy: 1.2048442927648995
Energy: 1.082101097441355
Energy: 1.132375093669361
Energy: 1.1323750346398904
Energy: 1.047191919046459
Energy: 1.2356479256081396
Energy: 1.2355859876414168
Energy: 1.2348929566203772
Energy: 1.1082759801531514
Energy: 1.108275090921216
Energy: 1.047189435455243
Energy: 1.2179750322763567
Energy: 1.2179747172872124
Energy: 1.081984301624092
Energy: 1.0528301164117988
Energy: 1.052823701645691
Energy: 1.1528459074653423
Energy: 1.1315746544790486
Energy: 1.1315815622418626
Energy: 1.0817028209647084
Energy: 1.06584243778816
Energy: 1.0658405678408571
Energy: 1.2321467566665127
Energy: 1.101833180373849
Energy: 1.1018385473426473
   minimum gb energy = 1.047189435455243 eV
   minimum distance = 2.5313501046656 Angstroms
   sigma value = 109

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

Energy: 1.1574681805230236
Energy: 1.108558248349108
Energy: 1.108538121700317
Energy: 1.059512763512452
Energy: 1.1002529775380239
Energy: 1.1002486158296534
Energy: 1.087446239159637
Energy: 1.131906582301072
Energy: 1.131905671893261
Energy: 1.084607648290097
Energy: 1.092214441341105
Energy: 1.0921822180609224
Energy: 1.2292830229635578
Energy: 1.1540658667670962
Energy: 1.153921670810706
Energy: 1.0846004514187804
Energy: 1.0921469013317409
Energy: 1.0921477214670126
Energy: 1.087362345096501
Energy: 1.1319237959532187
Energy: 1.131912694974276
Energy: 1.0592009986735622
Energy: 1.101050716436061
Energy: 1.1005497709560808
Energy: 1.0992381029793612
Energy: 1.109421902547244
Energy: 1.1085455973068772
Energy: 1.0592044204279814
Energy: 1.1002470488362428
Energy: 1.1002506093121165
   minimum gb energy = 1.0592009986735622 eV
   minimum distance = 2.55079659699249 Angstroms
   sigma value = 185

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

Energy: 1.029335679025001
Energy: 1.0293356210541618
Energy: 1.0293356199422918
Energy: 1.1404894640590981
Energy: 1.0452803493937919
Energy: 1.0452796571897114
Energy: 1.0293356723608753
Energy: 1.0579172983123664
Energy: 1.0579156576243312
Energy: 1.168585603845359
Energy: 1.0452795431414903
Energy: 1.045279678679229
Energy: 1.029337728834675
Energy: 1.02933561990068
Energy: 1.029335792189052
Energy: 1.1404943758674972
Energy: 1.0452795379738873
Energy: 1.0452795251613
Energy: 1.0293356199516095
Energy: 1.0579153884131232
Energy: 1.0579159956229258
Energy: 1.168576612616725
Energy: 1.0948269131207409
Energy: 1.0948267247872305
Energy: 1.0293356214458025
Energy: 1.0293356300513157
Energy: 1.0293356298769982
Energy: 1.140491627073517
Energy: 1.0946649733917808
Energy: 1.094668585328691
   minimum gb energy = 1.02933561990068 eV
   minimum distance = 2.54158968928406 Angstroms
   sigma value = 9

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

Energy: 1.1541082329443832
Energy: 1.1130051523420244
Energy: 1.1129814920364
Energy: 1.264970586733377
Energy: 1.1422173585539033
Energy: 1.1417671383585226
Energy: 1.102070107430582
Energy: 1.1360281386327946
Energy: 1.136152870710949
Energy: 1.10165374028625
Energy: 1.1110157744433784
Energy: 1.1109777573599469
Energy: 1.1030130173127182
Energy: 1.1611673865900667
Energy: 1.161175812493492
Energy: 1.1029600811691367
Energy: 1.130674802129325
Energy: 1.1307989203185504
Energy: 1.2922429097023793
Energy: 1.1576194187788484
Energy: 1.1575971523459072
Energy: 1.110994958206183
Energy: 1.2277197097130932
Energy: 1.227773807615357
Energy: 1.2647318068209543
Energy: 1.1211715207158355
Energy: 1.121514335717389
Energy: 1.1031600379908502
Energy: 1.1297691407162314
Energy: 1.1293937397837308
   minimum gb energy = 1.10165374028625 eV
   minimum distance = 2.54188220154796 Angstroms
   sigma value = 221

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

Energy: 1.1745613042282876
Energy: 1.1287718194702867
Energy: 1.1287910788914057
Energy: 1.0860208471229837
Energy: 1.1367172770446012
Energy: 1.1367469767350238
Energy: 1.0656574790852653
Energy: 1.1360128878863198
Energy: 1.136026242016526
Energy: 1.063776140002175
Energy: 1.163438377324888
Energy: 1.1631088098454248
Energy: 1.1159478239209741
Energy: 1.132271452713599
Energy: 1.1320425847061781
Energy: 1.1736351053400653
Energy: 1.1216751569384715
Energy: 1.121685220655122
Energy: 1.305554104413685
Energy: 1.0799363169243197
Energy: 1.07998697979357
Energy: 1.2200737620618227
Energy: 1.0784190807541614
Energy: 1.078423537594368
Energy: 1.2170975039708023
Energy: 1.1410400311965565
Energy: 1.1410269896204432
Energy: 1.1815920894639997
Energy: 1.1726714534726255
Energy: 1.1722342529336907
   minimum gb energy = 1.063776140002175 eV
   minimum distance = 2.55623923049961 Angstroms
   sigma value = 137

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

Energy: 1.1034122539958615
Energy: 1.1643303304669945
Energy: 1.164207979546981
Energy: 1.2445963625266263
Energy: 1.07692150770737
Energy: 1.0769215076912764
Energy: 1.1519452117515059
Energy: 1.2081651162990699
Energy: 1.208511302773907
Energy: 1.0769317058108963
Energy: 1.132584613448178
Energy: 1.1331004605960586
Energy: 1.1519024725104914
Energy: 1.159037787531867
Energy: 1.1590567364627746
Energy: 1.0769362383612997
Energy: 1.2079417877042264
Energy: 1.2084643606808596
Energy: 1.3053171703478936
Energy: 1.1944224689167564
Energy: 1.194619004829408
Energy: 1.0769093244241665
Energy: 1.181990579034491
Energy: 1.1820244393390098
Energy: 1.1857106758479456
Energy: 1.1264323535514447
Energy: 1.1255483873452818
Energy: 1.0769336173941975
Energy: 1.1262805145081154
Energy: 1.1261932551641984
   minimum gb energy = 1.0769093244241665 eV
   minimum distance = 2.55790630652248 Angstroms
   sigma value = 73

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

Energy: 1.171594920630921
Energy: 1.1340147377864394
Energy: 1.1335839222004176
Energy: 1.1154007115644882
Energy: 1.1591587223259983
Energy: 1.159336358619095
Energy: 1.1154045674915103
Energy: 1.1181067405638747
Energy: 1.1180865058027958
Energy: 1.0781851169574306
Energy: 1.133564447186173
Energy: 1.1343851692701798
Energy: 1.1372149211298672
Energy: 1.2004240816684335
Energy: 1.2004200692796558
Energy: 1.082489205593057
Energy: 1.0875031244317634
Energy: 1.0872488740035176
Energy: 1.0839604967741434
Energy: 1.1340828383189245
Energy: 1.1340510320477017
Energy: 1.101849503543015
Energy: 1.264638096998821
Energy: 1.264632140348567
Energy: 1.1060560441564085
Energy: 1.0872245887460237
Energy: 1.0878385501698509
Energy: 1.0839673679726056
Energy: 1.1111298377331738
Energy: 1.1113040519081552
   minimum gb energy = 1.0781851169574306 eV
   minimum distance = 2.54669006457484 Angstroms
   sigma value = 97

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

Energy: 1.1301336419404606
Energy: 1.1254374912407756
Energy: 1.1254343664890913
Energy: 1.0758198245431163
Energy: 1.1634302612839016
Energy: 1.1634275401885192
Energy: 1.0907540924374532
Energy: 1.1588572170294844
Energy: 1.1589369818836814
Energy: 1.0768617263519935
Energy: 1.0758201361994757
Energy: 1.0758198721204466
Energy: 1.2601743626653423
Energy: 1.0758230768145491
Energy: 1.0758209410008235
Energy: 1.1953760097593398
Energy: 1.1108709013810711
Energy: 1.110869207847166
Energy: 1.1531299934208439
Energy: 1.0810969230122862
Energy: 1.0812618765955315
Energy: 1.1222296208603524
Energy: 1.075863241539088
Energy: 1.0758512321625793
Energy: 1.1301846258597104
Energy: 1.1602355454132864
Energy: 1.1602392204007494
Energy: 1.0662063210834227
Energy: 1.170139826932085
Energy: 1.170132724810328
   minimum gb energy = 1.0662063210834227 eV
   minimum distance = 2.53266494190815 Angstroms
   sigma value = 7

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

Energy: 1.100709150733792
Energy: 1.0870521920585436
Energy: 1.0869505060847005
Energy: 1.0846326314222134
Energy: 1.1401040224368901
Energy: 1.1401043339770889
Energy: 1.2688334019132679
Energy: 1.0846047857288124
Energy: 1.0849668913578512
Energy: 1.0852383654935744
Energy: 1.1876659153864162
Energy: 1.1880622919565016
Energy: 1.0848420970130574
Energy: 1.097771287779531
Energy: 1.0977869555931201
Energy: 1.0846090996788609
Energy: 1.204072329416646
Energy: 1.2040466927520128
Energy: 1.0806036591516592
Energy: 1.091394852519118
Energy: 1.0914097370215559
Energy: 1.2534925423073082
Energy: 1.0905355934803016
Energy: 1.0905491527655211
Energy: 1.0806026129212378
Energy: 1.09140745268051
Energy: 1.0913982514144276
Energy: 1.084612904648523
Energy: 1.1334988543535416
Energy: 1.1335065482213122
   minimum gb energy = 1.0806026129212378 eV
   minimum distance = 2.52439164375831 Angstroms
   sigma value = 169

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

Energy: 1.0954950703211062
Energy: 1.0874331601699057
Energy: 1.0873928934896946
Energy: 1.0839610731778242
Energy: 1.0862802047566769
Energy: 1.0862150166630096
Energy: 1.1750538351845838
Energy: 1.1020440661651576
Energy: 1.102073680206337
Energy: 1.084412138414349
Energy: 1.101195126170095
Energy: 1.1012859254607907
Energy: 1.095456820434197
Energy: 1.1021857824238066
Energy: 1.102076628621288
Energy: 1.2255245454329082
Energy: 1.092880905400726
Energy: 1.0929592339292884
Energy: 1.0844408110923272
Energy: 1.0873826601188397
Energy: 1.0874367428048484
Energy: 1.0844281182323878
Energy: 1.0862667155756227
Energy: 1.0862439528851386
Energy: 1.257473034146595
Energy: 1.0862719311498303
Energy: 1.0862151323670977
Energy: 1.0844316673101353
Energy: 1.1750681849399147
Energy: 1.1750592734843326
   minimum gb energy = 1.0839610731778242 eV
   minimum distance = 2.51799241214639 Angstroms
   sigma value = 29

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

Energy: 1.1199979686848385
Energy: 1.097388011322701
Energy: 1.0974270776173598
Energy: 1.087900847887001
Energy: 1.1620941318685485
Energy: 1.162068657299306
Energy: 1.1192466796458709
Energy: 1.090720219533578
Energy: 1.0908197464261435
Energy: 1.0971986256437094
Energy: 1.1536894660504668
Energy: 1.1537635836300195
Energy: 1.091238287731818
Energy: 1.101853765313689
Energy: 1.1021161220938163
Energy: 1.1157076270537796
Energy: 1.097094760355982
Energy: 1.0970591749267897
Energy: 1.0968963712298305
Energy: 1.1021995099481965
Energy: 1.1019694510038989
Energy: 1.0907115075513987
Energy: 1.1050315348190605
Energy: 1.1050262265006097
Energy: 1.0932732626739359
Energy: 1.096879625020138
Energy: 1.0969648560619263
Energy: 1.3270014549136628
Energy: 1.1462334985792548
Energy: 1.1461186672603512
   minimum gb energy = 1.087900847887001 eV
   minimum distance = 2.51574351723212 Angstroms
   sigma value = 97

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

Energy: 1.1178676358741677
Energy: 1.0945259935799956
Energy: 1.0944987080534585
Energy: 1.0876286130463662
Energy: 1.178155220305516
Energy: 1.1778510330036174
Energy: 1.0825982360863646
Energy: 1.094229859760185
Energy: 1.0941942684212709
Energy: 1.0786432761335845
Energy: 1.153751929238171
Energy: 1.1543072369282077
Energy: 1.24451192958085
Energy: 1.0891326358031836
Energy: 1.0891619863328614
Energy: 1.1632540190414917
Energy: 1.1014782289087073
Energy: 1.1018002896676078
Energy: 1.0874035516131715
Energy: 1.1013539095287
Energy: 1.1013736855397345
Energy: 1.0873251524207013
Energy: 1.096145992182509
Energy: 1.0959748589474023
Energy: 1.0827954581493227
Energy: 1.2287083640681988
Energy: 1.2287843512275998
Energy: 1.0876642177291282
Energy: 1.0959355340092691
Energy: 1.095965709977647
   minimum gb energy = 1.0786432761335845 eV
   minimum distance = 2.53061040764895 Angstroms
   sigma value = 73

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

Energy: 1.1146596941517684
Energy: 1.098390574480669
Energy: 1.0983328129836387
Energy: 1.2640651817967543
Energy: 1.088558690033431
Energy: 1.088862428814852
Energy: 1.0895544106027313
Energy: 1.16160953946292
Energy: 1.1616094548286597
Energy: 1.2651624933079035
Energy: 1.0897750499390428
Energy: 1.0896732736617833
Energy: 1.0858100294182211
Energy: 1.166749029136584
Energy: 1.1667512918823253
Energy: 1.1025016064818496
Energy: 1.0941722177370918
Energy: 1.0942096907593897
Energy: 1.0810412584120421
Energy: 1.196638860062026
Energy: 1.1967421258686233
Energy: 1.0808376044318284
Energy: 1.1034163191008577
Energy: 1.1033916063247056
Energy: 1.0850508377268409
Energy: 1.121998762473466
Energy: 1.1219790087419443
Energy: 1.085825317986768
Energy: 1.0904605082830074
Energy: 1.0903236589735947
   minimum gb energy = 1.0808376044318284 eV
   minimum distance = 2.52110884216547 Angstroms
   sigma value = 205

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

Energy: 1.1110110001873321
Energy: 1.0996723775371184
Energy: 1.0995611715113982
Energy: 1.0977592156861657
Energy: 1.1301173886539433
Energy: 1.1302207867850338
Energy: 1.0892557666489366
Energy: 1.1589268628424028
Energy: 1.1588537567745634
Energy: 1.0849864457587195
Energy: 1.0885721407656301
Energy: 1.08873023609683
Energy: 1.0792539224348083
Energy: 1.0885685235585256
Energy: 1.0884868703653272
Energy: 1.0836480946130764
Energy: 1.088253444393231
Energy: 1.0887430124026811
Energy: 1.10867358260243
Energy: 1.0914694745321092
Energy: 1.0913716225133883
Energy: 1.1440718963346346
Energy: 1.102716528564996
Energy: 1.1028473071615452
Energy: 1.082463523621141
Energy: 1.102764294050618
Energy: 1.1027461371916756
Energy: 1.0885555059935734
Energy: 1.0910391339123984
Energy: 1.091049016698611
   minimum gb energy = 1.0792539224348083 eV
   minimum distance = 2.52400736585613 Angstroms
   sigma value = 137

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

Energy: 1.0768853266606122
Energy: 1.0427987297430248
Energy: 1.042798728709518
Energy: 1.049006169541987
Energy: 1.076885323519712
Energy: 1.0768855050568937
Energy: 1.042797904335901
Energy: 1.0769270409595093
Energy: 1.0769268528775089
Energy: 1.0768912758606846
Energy: 1.048493231013265
Energy: 1.0484935872767709
Energy: 1.0768854140266444
Energy: 1.0768853231781297
Energy: 1.0768853233074303
Energy: 1.0768853266661027
Energy: 1.076927221107576
Energy: 1.0769290645457428
Energy: 1.0490061682514262
Energy: 1.1438270933910322
Energy: 1.1438270646624804
Energy: 1.0768853258433302
Energy: 1.0768853258633204
Energy: 1.0768854195596687
Energy: 1.0768872163234222
Energy: 1.0768923008613092
Energy: 1.0768853450865905
Energy: 1.048493213725512
Energy: 1.1438269248635768
Energy: 1.1438275478188338
   minimum gb energy = 1.042797904335901 eV
   minimum distance = 2.5300169197938 Angstroms
   sigma value = 5

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

Energy: 1.0602462858125654
Energy: 1.070478522106782
Energy: 1.0706453509771032
Energy: 1.045493152142643
Energy: 1.126432511609902
Energy: 1.1264603861723654
Energy: 1.0361832351770917
Energy: 1.0384430151550181
Energy: 1.0385477794107674
Energy: 1.0344755914388306
Energy: 1.0383762839448387
Energy: 1.0381658780021052
Energy: 1.1383803857363393
Energy: 1.0308006703359602
Energy: 1.03085710001782
Energy: 1.146907689591777
Energy: 1.0341183076205793
Energy: 1.0345256373402751
Energy: 1.0282391979705992
Energy: 1.0615623553570186
Energy: 1.0616602703153764
Energy: 1.0306185390353513
Energy: 1.052522680443875
Energy: 1.0524983541977166
Energy: 1.030695528406823
Energy: 1.0509592947003996
Energy: 1.051044647090381
Energy: 1.0308520107139791
Energy: 1.0488759242182586
Energy: 1.0489250421419403
   minimum gb energy = 1.0282391979705992 eV
   minimum distance = 2.544999977067 Angstroms
   sigma value = 289

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

Energy: 1.0672336793468764
Energy: 1.0601720854195829
Energy: 1.060187720050589
Energy: 1.0449585242925317
Energy: 1.0377335827224317
Energy: 1.0376944846882756
Energy: 1.040173507387267
Energy: 1.032555787928478
Energy: 1.0325984717028476
Energy: 1.0216938358939394
Energy: 1.0555823710692442
Energy: 1.0555884148093648
Energy: 1.0236057557323812
Energy: 1.0967812318303645
Energy: 1.0969078932795735
Energy: 1.215866532215389
Energy: 1.0434473561597961
Energy: 1.0434770596363627
Energy: 1.0300343271783061
Energy: 1.044723417932931
Energy: 1.044779953582681
Energy: 1.026936538462778
Energy: 1.0486954078903064
Energy: 1.0485719419585366
Energy: 1.0221830095866409
Energy: 1.0552906696299469
Energy: 1.0553370147040424
Energy: 1.0759579043130298
Energy: 1.0405061001092846
Energy: 1.0405069834172653
   minimum gb energy = 1.0216938358939394 eV
   minimum distance = 2.54115361579971 Angstroms
   sigma value = 109

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

Energy: 1.0515070237133939
Energy: 1.0558223588020166
Energy: 1.0558227519165186
Energy: 1.0064361226832563
Energy: 1.0215674820373852
Energy: 1.021837932191619
Energy: 1.0054339580690723
Energy: 1.0245194122359191
Energy: 1.0245198363576553
Energy: 1.0348914859916751
Energy: 1.0679804347670705
Energy: 1.0682526086010202
Energy: 1.0118242682673657
Energy: 1.0348886146553424
Energy: 1.0350594318015558
Energy: 1.048275716731761
Energy: 1.0215594311502885
Energy: 1.0215943484590977
Energy: 1.0276450793634972
Energy: 1.0388768467678329
Energy: 1.0388303417263645
Energy: 1.0070460947768356
Energy: 1.1460155744440457
Energy: 1.1459939505140622
Energy: 1.1327427365797031
Energy: 1.034925232608032
Energy: 1.0348989328473024
Energy: 1.0157447788944876
Energy: 1.0297810372874963
Energy: 1.0297229521231797
   minimum gb energy = 1.0054339580690723 eV
   minimum distance = 2.52985215785585 Angstroms
   sigma value = 157

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

Energy: 1.0433336702873295
Energy: 1.0400548806200047
Energy: 1.0400368169121206
Energy: 1.0009846654284535
Energy: 1.0275544833175798
Energy: 1.0275642994635377
Energy: 1.0071502257622458
Energy: 1.0276028960104604
Energy: 1.0275632524216343
Energy: 1.0009795969459636
Energy: 1.0495856040729326
Energy: 1.04958255132517
Energy: 1.1567751661067693
Energy: 1.0198674787022082
Energy: 1.0198674854251368
Energy: 1.0729824229837206
Energy: 0.996585709623976
Energy: 0.9965534300716138
Energy: 1.0311239682715663
Energy: 1.0071720021654271
Energy: 1.0071691632666597
Energy: 0.9928423788967023
Energy: 1.0199169538700212
Energy: 1.0198985502183977
Energy: 1.0009796233151456
Energy: 1.0275699061660417
Energy: 1.027569252577217
Energy: 1.0135708778803307
Energy: 1.0353658330047208
Energy: 1.0353644143281884
   minimum gb energy = 0.9928423788967023 eV
   minimum distance = 2.53161379272925 Angstroms
   sigma value = 53

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

Energy: 1.0058690942834723
Energy: 1.0002961445577956
Energy: 1.0004161209527216
Energy: 0.987869516403293
Energy: 0.9850109392156527
Energy: 0.9851401337353903
Energy: 0.9849436710207928
Energy: 1.0003237839680887
Energy: 1.0002815912280303
Energy: 1.06332742735413
Energy: 0.9717047849178749
Energy: 0.9718758623704287
Energy: 0.9717438385870071
Energy: 0.9941122741576274
Energy: 0.9941269512383704
Energy: 1.1845574462691533
Energy: 1.0074698338127008
Energy: 1.0075481944990239
Energy: 0.9716684876984395
Energy: 0.9942042991261235
Energy: 0.9941097240727809
Energy: 1.0074532770117546
Energy: 1.0043305960507862
Energy: 1.0041249216334522
Energy: 0.971701012915198
Energy: 1.008104381130727
Energy: 1.0081466969301152
Energy: 1.1360362631027727
Energy: 0.9716772782992681
Energy: 0.9716704171519699
   minimum gb energy = 0.9716684876984395 eV
   minimum distance = 2.55429724704534 Angstroms
   sigma value = 1

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

Energy: 1.025041646105575
Energy: 0.9882210896557488
Energy: 0.9880155228635263
Energy: 0.9766584488396574
Energy: 0.9955355458522366
Energy: 0.9955342404387303
Energy: 0.9557915838595681
Energy: 0.9958915845451166
Energy: 0.9958746582362027
Energy: 0.9872865529815701
Energy: 0.9829821094542356
Energy: 0.9828835174269475
Energy: 1.0575357094530544
Energy: 0.9668939669142332
Energy: 0.9667498684448788
Energy: 0.9557657387278122
Energy: 1.0122608232830224
Energy: 1.012211721079539
Energy: 1.0940161819670315
Energy: 0.9733387017159625
Energy: 0.9732329694653776
Energy: 0.9557793925909039
Energy: 1.0138445800430635
Energy: 1.013796593058911
Energy: 0.9487724079721365
Energy: 0.9872929167887124
Energy: 0.9873352398193354
Energy: 1.0059521214973641
Energy: 0.9898760941769114
Energy: 0.989754591899653
   minimum gb energy = 0.9487724079721365 eV
   minimum distance = 2.5123822508591 Angstroms
   sigma value = 3

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

Energy: 1.112689407788715
Energy: 0.9543696703589044
Energy: 0.9543738615642082
Energy: 0.9285462505462131
Energy: 1.0230885806782428
Energy: 1.0230890929109955
Energy: 0.9092272392271397
Energy: 1.0236194629637994
Energy: 1.0238308260912983
Energy: 0.9284508370367192
Energy: 0.931430104906075
Energy: 0.9314832750583542
Energy: 0.9830073511522572
Energy: 0.9746614147348223
Energy: 0.9745964179105934
Energy: 1.0629571273673968
Energy: 0.9543502279889283
Energy: 0.9543464100022276
Energy: 0.965301368393964
Energy: 0.954351610005798
Energy: 0.9544112179492727
Energy: 1.1126905032277288
Energy: 0.9313725564938485
Energy: 0.9314570823245893
Energy: 0.9279567080134449
Energy: 1.0210440550374564
Energy: 1.0210437261140641
Energy: 0.9091791374757379
Energy: 1.0236355276811244
Energy: 1.0236337356494103
   minimum gb energy = 0.9091791374757379 eV
   minimum distance = 2.52356368840419 Angstroms
   sigma value = 17

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

Energy: 0.980690610357882
Energy: 0.9374926757460773
Energy: 0.9375123493093225
Energy: 0.9187299937480665
Energy: 1.1167032773971122
Energy: 1.1167000469666568
Energy: 0.9168117162322628
Energy: 0.9532036550183687
Energy: 0.9530729263580654
Energy: 1.051110853149405
Energy: 0.9434881696886985
Energy: 0.9435313759027624
Energy: 1.0346519302331345
Energy: 0.9237588269357893
Energy: 0.924102842663733
Energy: 0.918795481742892
Energy: 0.9693414654374244
Energy: 0.9692997922268028
Energy: 0.9693002970088865
Energy: 0.9380834852174127
Energy: 0.9381450700808264
Energy: 0.9103142076967119
Energy: 0.9597170242449461
Energy: 0.959728162876698
Energy: 0.918956080205429
Energy: 0.937991462648984
Energy: 0.9380297344634514
Energy: 0.9186430215878861
Energy: 0.9472932694367502
Energy: 0.9472858357369575
   minimum gb energy = 0.9103142076967119 eV
   minimum distance = 2.51992950003719 Angstroms
   sigma value = 233

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

Energy: 0.9555573764743642
Energy: 0.9080413642819984
Energy: 0.9081195490871835
Energy: 0.8988960363964927
Energy: 0.9555626386323149
Energy: 0.9555860451047733
Energy: 0.9314671741530846
Energy: 0.9255299970998946
Energy: 0.925667299748065
Energy: 0.9198815235704787
Energy: 0.9146797642087188
Energy: 0.9145417914464989
Energy: 0.9080257085894923
Energy: 0.9422418100935966
Energy: 0.9422241642014527
Energy: 0.9215796871227603
Energy: 0.931472620639089
Energy: 0.9314915214738694
Energy: 0.9082176505071677
Energy: 0.942190296960285
Energy: 0.9422304478743572
Energy: 1.1008859732024856
Energy: 0.920081490021815
Energy: 0.9199292117800324
Energy: 0.8987296180189781
Energy: 0.9313387588691949
Energy: 0.9313593732033731
Energy: 0.8988324975508922
Energy: 0.9081489545803387
Energy: 0.9079855646029041
   minimum gb energy = 0.8987296180189781 eV
   minimum distance = 2.53156709518864 Angstroms
   sigma value = 89

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

Energy: 1.0150820530741176
Energy: 0.9046644726599121
Energy: 0.9048666040399213
Energy: 0.9001952111681507
Energy: 0.9311843015881031
Energy: 0.9311898225206661
Energy: 0.9187010371670086
Energy: 0.9121012657312764
Energy: 0.9121051051023046
Energy: 0.8792555895439667
Energy: 0.9047402800704876
Energy: 0.9047251042767843
Energy: 0.8969535874652921
Energy: 0.9779392156947958
Energy: 0.9779201826497086
Energy: 1.0086018849920189
Energy: 0.8952580735218697
Energy: 0.89527607023319
Energy: 0.892870716355984
Energy: 0.9006838909910652
Energy: 0.900823255505423
Energy: 0.9199263473863404
Energy: 0.9056942900767362
Energy: 0.9054803603750922
Energy: 0.8928982634043664
Energy: 0.9006251662506657
Energy: 0.9008238264450311
Energy: 1.0137692407492498
Energy: 0.9098508911191279
Energy: 0.9098412632769096
   minimum gb energy = 0.8792555895439667 eV
   minimum distance = 2.53713681751216 Angstroms
   sigma value = 85

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

Energy: 0.9865026044272194
Energy: 0.9124962526263452
Energy: 0.9125462801810104
Energy: 0.8825778391329426
Energy: 0.9049655634452798
Energy: 0.9050158756580919
Energy: 0.8757152034597593
Energy: 0.9049961479962507
Energy: 0.9049980764778345
Energy: 0.9086013018558213
Energy: 0.8972781917275547
Energy: 0.8972539531781716
Energy: 0.8946677173443003
Energy: 0.8980611006635866
Energy: 0.8979790413013868
Energy: 0.8785384304691972
Energy: 0.9067565208609621
Energy: 0.9068896981255393
Energy: 0.9026571407461672
Energy: 0.9641348301195841
Energy: 0.9640721519094441
Energy: 0.8878754709865209
Energy: 0.9247646809706743
Energy: 0.9247558532435368
Energy: 0.8713362736857782
Energy: 0.9226184381054903
Energy: 0.9226522708553311
Energy: 0.9845361196377802
Energy: 0.8952727941467505
Energy: 0.8953368554813573
   minimum gb energy = 0.8713362736857782 eV
   minimum distance = 2.53271592737203 Angstroms
   sigma value = 69

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

Energy: 0.8467260126791275
Energy: 0.8467260154542253
Energy: 0.8467260467542372
Energy: 0.8467265311896011
Energy: 0.8467260497264717
Energy: 0.8467288124388794
Energy: 0.8294018080291479
Energy: 0.878688052386546
Energy: 0.8786880567464764
Energy: 0.8467260217333487
Energy: 0.8786879982327722
Energy: 0.8786880739803478
Energy: 0.8467304345099788
Energy: 0.8786879993251732
Energy: 0.8786880792580003
Energy: 0.829412724807284
Energy: 0.851315927807658
Energy: 0.8513230230639615
Energy: 0.8467263776013987
Energy: 0.8467260441335118
Energy: 0.8467260553471982
Energy: 0.8467260333052303
Energy: 0.9939773770635562
Energy: 0.9939780878379781
Energy: 0.846726411420557
Energy: 0.8786880095845179
Energy: 0.8786879993321071
Energy: 0.8467260471930085
Energy: 0.8786879992159795
Energy: 0.8786879985061355
   minimum gb energy = 0.8294018080291479 eV
   minimum distance = 2.55227454616362 Angstroms
   sigma value = 13

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

Energy: 1.0090923631229751
Energy: 0.8475998864249219
Energy: 0.847590151770704
Energy: 0.8053957358840911
Energy: 0.8509855909087137
Energy: 0.8509661507897677
Energy: 0.8887987633919967
Energy: 1.0030519768698578
Energy: 1.0030521370559364
Energy: 0.8055374481539559
Energy: 0.8254633080227314
Energy: 0.8254595739122034
Energy: 0.8197988496017525
Energy: 0.8340624146211103
Energy: 0.8340637627525356
Energy: 0.8079093277250148
Energy: 0.8254672280715216
Energy: 0.8254662595973603
Energy: 0.8030261600119062
Energy: 0.8254721558198265
Energy: 0.8254664791880656
Energy: 0.8874971689735419
Energy: 0.8124068725594538
Energy: 0.8123759322111738
Energy: 0.8640080203287765
Energy: 0.8283905196097596
Energy: 0.8283891619397229
Energy: 0.8993291804265406
Energy: 0.8139610161082975
Energy: 0.8139619660830429
   minimum gb energy = 0.8030261600119062 eV
   minimum distance = 2.54095797548121 Angstroms
   sigma value = 125

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

Energy: 0.9273874338631628
Energy: 1.0042746615131
Energy: 1.0042746648194174
Energy: 0.788677521317777
Energy: 0.8360177623150299
Energy: 0.8360176622637475
Energy: 0.8834548514755183
Energy: 0.8188763481019787
Energy: 0.8188758123087639
Energy: 0.796340594603391
Energy: 0.9001165227117371
Energy: 0.9001182486021436
Energy: 0.9336432982810869
Energy: 0.812183938391516
Energy: 0.8122152741319475
Energy: 0.8875246505477882
Energy: 0.8236812612917199
Energy: 0.8236810419793109
Energy: 0.7902697968019323
Energy: 0.8098780748510773
Energy: 0.8098903502622243
Energy: 1.0300723154967342
Energy: 0.8100313759297408
Energy: 0.8100613576197011
Energy: 0.8067727388109114
Energy: 1.00231408707839
Energy: 1.0023149184946096
Energy: 0.7941191134293417
Energy: 0.8329430252907013
Energy: 0.8329429922430859
   minimum gb energy = 0.788677521317777 eV
   minimum distance = 2.54186683360223 Angstroms
   sigma value = 37

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

Energy: 0.8102808059793926
Energy: 0.7777137565780144
Energy: 0.77771463224159
Energy: 0.7520881254561118
Energy: 0.7891783223669828
Energy: 0.7891748517489395
Energy: 0.7521391795836816
Energy: 0.7891786767018445
Energy: 0.7891790699374964
Energy: 0.7773349383920414
Energy: 0.7933159260499419
Energy: 0.7933148299066911
Energy: 0.965635971884321
Energy: 0.7933147256706129
Energy: 0.7933144301306081
Energy: 0.7520750783988691
Energy: 0.7891777630088114
Energy: 0.7891789937832716
Energy: 0.7773493062719611
Energy: 0.8350841139952145
Energy: 0.8350862117010592
Energy: 1.1562090254316604
Energy: 0.7933127250772174
Energy: 0.7933149512219688
Energy: 0.7738070339038687
Energy: 0.7748702389966401
Energy: 0.7748458738342027
Energy: 0.7773364413219974
Energy: 0.8349546455805935
Energy: 0.834958232108455
   minimum gb energy = 0.7520750783988691 eV
   minimum distance = 2.55915368731809 Angstroms
   sigma value = 37

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

Energy: 1.0345816481883312
Energy: 1.0977479893077409
Energy: 1.0977496909225075
Energy: 0.731234513585285
Energy: 0.7736284909565448
Energy: 0.7736282954471041
Energy: 0.750953494969864
Energy: 0.7654082924358226
Energy: 0.765405260263235
Energy: 0.7521200585707902
Energy: 0.7762471546799714
Energy: 0.7762475698464557
Energy: 0.7394659522493489
Energy: 0.7654069378639549
Energy: 0.7654075457346754
Energy: 1.005452168442548
Energy: 0.7774524574791503
Energy: 0.7774529416018041
Energy: 0.7509504312601022
Energy: 0.7792971795337998
Energy: 0.7792965216453961
Energy: 1.2301007591229935
Energy: 0.7555090024354602
Energy: 0.755506377977291
Energy: 0.7509698779992818
Energy: 0.7897937123778935
Energy: 0.7897945247005733
Energy: 0.7509654437333865
Energy: 0.8249141351573016
Energy: 0.8249155305953838
   minimum gb energy = 0.731234513585285 eV
   minimum distance = 2.55104864476399 Angstroms
   sigma value = 185

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

Energy: 0.9571827723270745
Energy: 0.744487890648468
Energy: 0.7444880523191751
Energy: 0.7269687975107242
Energy: 0.7617934872406598
Energy: 0.761793718562643
Energy: 0.9297493423920434
Energy: 0.7601400931979998
Energy: 0.7601400668873207
Energy: 0.7439803171086561
Energy: 0.9152191169939291
Energy: 0.9151988499557058
Energy: 0.7376374815022767
Energy: 0.7444713573529943
Energy: 0.7444589799449638
Energy: 0.7439705557512533
Energy: 0.752160715620722
Energy: 0.7521611493758055
Energy: 0.737263382513498
Energy: 0.7521618805191869
Energy: 0.7521584669498304
Energy: 0.9326856099307749
Energy: 0.752708767120375
Energy: 0.752709208562309
Energy: 0.7443632705289333
Energy: 0.7526653998140221
Energy: 0.7526641984266101
Energy: 0.9297406867350494
Energy: 0.7601416027707877
Energy: 0.7601411262865492
   minimum gb energy = 0.7269687975107242 eV
   minimum distance = 2.53823450544376 Angstroms
   sigma value = 173

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

Energy: 0.9222882691143263
Energy: 0.7064128603702982
Energy: 0.7063839555966848
Energy: 0.7315374713451858
Energy: 0.8563431986591212
Energy: 0.8563348359551
Energy: 0.7071666052745821
Energy: 0.7959433071460121
Energy: 0.7959433824976763
Energy: 0.7158557838187777
Energy: 0.8237279264728002
Energy: 0.8237283981369667
Energy: 0.6945175645515144
Energy: 0.8125479285501626
Energy: 0.8125479776435146
Energy: 0.7071646762739847
Energy: 0.7425134242912991
Energy: 0.7425034005134724
Energy: 0.8737938793757719
Energy: 0.82450593864929
Energy: 0.8244956046812104
Energy: 0.9222897086520171
Energy: 0.7425078631050066
Energy: 0.7425053550243063
Energy: 0.8737943221446678
Energy: 0.7425052385401226
Energy: 0.742501197371742
Energy: 0.7071642798525288
Energy: 0.7425028336902616
Energy: 0.7425007629121912
   minimum gb energy = 0.6945175645515144 eV
   minimum distance = 2.56258402295843 Angstroms
   sigma value = 25

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

Energy: 0.9225002730575923
Energy: 0.6872580811495869
Energy: 0.6872582512060393
Energy: 0.6720646705528883
Energy: 0.7024634468162136
Energy: 0.7024649873383926
Energy: 0.6865128772506867
Energy: 0.6872765246369427
Energy: 0.6872765249535641
Energy: 0.6606308244496072
Energy: 0.6871916703913347
Energy: 0.6871919466124419
Energy: 0.6773701461440881
Energy: 0.7103530317902007
Energy: 0.7103428010785245
Energy: 0.7024493116244601
Energy: 0.687191746841425
Energy: 0.6871913256757141
Energy: 0.6606566490460721
Energy: 0.6994500869735965
Energy: 0.6994449346881474
Energy: 0.9381258870530627
Energy: 0.6818833975123222
Energy: 0.6818818679715345
Energy: 0.6678883041770765
Energy: 0.6945856539469939
Energy: 0.6945845265598223
Energy: 0.6767899894791407
Energy: 0.8491516613343196
Energy: 0.8491550832050969
   minimum gb energy = 0.6606308244496072 eV
   minimum distance = 2.5353152562631 Angstroms
   sigma value = 269

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

Energy: 0.9979555161530977
Energy: 0.6745385056546246
Energy: 0.6745376162414994
Energy: 0.6547458114786638
Energy: 0.702820077555225
Energy: 0.7028300426591829
Energy: 0.6287924605537831
Energy: 0.6751331770742184
Energy: 0.6751340996965478
Energy: 0.6776780023628597
Energy: 0.688213038136527
Energy: 0.688202779697272
Energy: 0.6776778832358163
Energy: 0.6885709130471803
Energy: 0.6885700693140813
Energy: 0.6547490020706519
Energy: 0.702789837756155
Energy: 0.7027984299024526
Energy: 0.6391462373804282
Energy: 0.6590877874896016
Energy: 0.6590813248522525
Energy: 0.9855772648927033
Energy: 0.6882030016218617
Energy: 0.6882029700012463
Energy: 0.6551608820409054
Energy: 0.7733434749968422
Energy: 0.7733447921896602
Energy: 0.6547444573629975
Energy: 0.7027988935597043
Energy: 0.702805076737744
   minimum gb energy = 0.6287924605537831 eV
   minimum distance = 2.55754162008412 Angstroms
   sigma value = 65

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

Energy: 1.0499124120890115
Energy: 0.6496270478560076
Energy: 0.6496270479715259
Energy: 0.6205195831450315
Energy: 0.659366268285991
Energy: 0.6593374084761342
Energy: 0.6517874995524758
Energy: 0.8692794212817264
Energy: 0.8692735810359214
Energy: 0.6365061673489304
Energy: 0.641000630983183
Energy: 0.6410040118502076
Energy: 0.6409974598571885
Energy: 0.8110828722327346
Energy: 0.8111001558913086
Energy: 0.8487666015745775
Energy: 0.6450152874370229
Energy: 0.6450154949021649
Energy: 0.641003756652526
Energy: 0.8075451941362567
Energy: 0.80754488143475
Energy: 1.0711555722323618
Energy: 0.6450140630629398
Energy: 0.6450149291721475
Energy: 0.6410011120821654
Energy: 0.6597847124974128
Energy: 0.6597781624188328
Energy: 0.8315030110025816
Energy: 0.6450145869597479
Energy: 0.6450153709084622
   minimum gb energy = 0.6205195831450315 eV
   minimum distance = 2.55213238421033 Angstroms
   sigma value = 79

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

Energy: 0.8004958882051423
Energy: 0.6954608907030222
Energy: 0.6954622520579788
Energy: 0.7594150797101096
Energy: 0.6504067242590746
Energy: 0.650410433417178
Energy: 0.7739342562986891
Energy: 0.6306678415698144
Energy: 0.6306659869240736
Energy: 0.6193226364432298
Energy: 0.6583985728551224
Energy: 0.6584238334219495
Energy: 0.6206378733759261
Energy: 0.6954617178283236
Energy: 0.6954590375276323
Energy: 0.6006350488208033
Energy: 0.6193227393603338
Energy: 0.6193230683820946
Energy: 0.7594158604843476
Energy: 0.6206377346385777
Energy: 0.6206375227926907
Energy: 0.8006805709089424
Energy: 0.6584929004419192
Energy: 0.6584219354516927
Energy: 0.7613413681821423
Energy: 0.6206376619325096
Energy: 0.6206376440676108
Energy: 0.7338732643518943
Energy: 0.6193229053764349
Energy: 0.6193227173688135
   minimum gb energy = 0.6006350488208033 eV
   minimum distance = 2.5594912786177 Angstroms
   sigma value = 41

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

Energy: 0.8656963081806553
Energy: 0.5989895812776925
Energy: 0.5990154185540731
Energy: 0.5645942576498605
Energy: 0.6059302951258709
Energy: 0.6059286136256592
Energy: 0.5573278084772365
Energy: 0.6059374732674498
Energy: 0.6059273239854391
Energy: 0.8258027172781297
Energy: 0.5982324964399993
Energy: 0.5982299163362054
Energy: 0.8290331311590795
Energy: 0.598235477140314
Energy: 0.5982342694449496
Energy: 0.5836854487718055
Energy: 0.5987329298092752
Energy: 0.5987339877682166
Energy: 0.5779407386703395
Energy: 0.6649798577228829
Energy: 0.6649654171992033
Energy: 1.0747075996903208
Energy: 0.6061526470970773
Energy: 0.6061247029798729
Energy: 0.5667735870215697
Energy: 0.5760530016244887
Energy: 0.5760529679086606
Energy: 0.5573210019506666
Energy: 0.5913566098340994
Energy: 0.5913517002341249
   minimum gb energy = 0.5573210019506666 eV
   minimum distance = 2.55661326894991 Angstroms
   sigma value = 101

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

Energy: 1.0018958785663243
Energy: 0.5391057421917455
Energy: 0.5391058224282946
Energy: 0.5511691403090659
Energy: 0.5490721891838636
Energy: 0.5490719325131328
Energy: 0.5381798242946977
Energy: 0.6152454841505757
Energy: 0.6152225103496359
Energy: 0.5296587356320807
Energy: 0.561535137699824
Energy: 0.5615134141997344
Energy: 0.5381798328088339
Energy: 0.5615200212591273
Energy: 0.5615536567532479
Energy: 0.538179799515298
Energy: 0.5615307532801156
Energy: 0.5615161898428558
Energy: 0.5381798312520636
Energy: 0.5615081705131056
Energy: 0.5615324614068308
Energy: 0.9955197927837309
Energy: 0.5615179429121044
Energy: 0.5615107265323718
Energy: 0.9779295864144575
Energy: 0.5615129175835938
Energy: 0.5615149501609399
Energy: 0.5388917575064227
Energy: 0.5822657850549977
Energy: 0.5822688712459932
   minimum gb energy = 0.5296587356320807 eV
   minimum distance = 2.56612308166851 Angstroms
   sigma value = 15

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

Energy: 0.908173052301067
Energy: 0.5304770103744858
Energy: 0.5304786213638694
Energy: 0.7600648609050723
Energy: 0.5385235332333435
Energy: 0.5385636939460169
Energy: 0.508150904736898
Energy: 0.5385164415035392
Energy: 0.5385314838003304
Energy: 0.580877520194596
Energy: 0.5385528437907992
Energy: 0.5385291634721855
Energy: 0.8821541292197528
Energy: 0.5192948625267687
Energy: 0.5192922848640588
Energy: 0.5161296520499496
Energy: 0.5321647400100269
Energy: 0.5321839776357873
Energy: 0.502613409582699
Energy: 0.5385304904864314
Energy: 0.5385064497046801
Energy: 0.6926687620822892
Energy: 0.5377183728032905
Energy: 0.5377485977982029
Energy: 0.5188440091248974
Energy: 0.5872058925827024
Energy: 0.5872308195506649
Energy: 0.4938548008566881
Energy: 0.5416389921032808
Energy: 0.5415748965829702
   minimum gb energy = 0.4938548008566881 eV
   minimum distance = 2.55870003100238 Angstroms
   sigma value = 145

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

Energy: 0.8052220120350377
Energy: 0.5016315425556145
Energy: 0.5016207588443207
Energy: 0.5944248282916509
Energy: 0.5149710604667473
Energy: 0.5149537216803687
Energy: 0.48434394569578904
Energy: 0.4951883738942538
Energy: 0.49518688310031395
Energy: 0.4697108090263447
Energy: 0.5007542050915126
Energy: 0.5007629365883013
Energy: 0.4802613874162933
Energy: 0.5005304433349961
Energy: 0.5005298903202215
Energy: 0.484343939054415
Energy: 0.5149393329440956
Energy: 0.5149332489904865
Energy: 0.5950726496499286
Energy: 0.5463475878014571
Energy: 0.5463423783177512
Energy: 0.8020570044828498
Energy: 0.5149666404104257
Energy: 0.5149259703369017
Energy: 0.7133077594531846
Energy: 0.5005317382311628
Energy: 0.5005381099756986
Energy: 0.576120115153695
Energy: 0.48434394198377073
Energy: 0.4843439348328888
   minimum gb energy = 0.4697108090263447 eV
   minimum distance = 2.55646504059133 Angstroms
   sigma value = 85

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

Energy: 0.6314610562707342
Energy: 0.480901038395791
Energy: 0.480904025664343
Energy: 0.46488026880860694
Energy: 0.48629045653684067
Energy: 0.4863056590283777
Energy: 0.4630656394016045
Energy: 0.4840112358718814
Energy: 0.48400325872619154
Energy: 0.6997897944831147
Energy: 0.49583562828341793
Energy: 0.49584282926037915
Energy: 0.6997952182128441
Energy: 0.48591659798959597
Energy: 0.4859168514084493
Energy: 0.46053586241834454
Energy: 0.48592463146422127
Energy: 0.48591198430989396
Energy: 0.5044212069179961
Energy: 0.48590955613850373
Energy: 0.4859142272623933
Energy: 0.4885609567268845
Energy: 0.4816984781556462
Energy: 0.48170561505992776
Energy: 0.6746962672823216
Energy: 0.47779084118050935
Energy: 0.47778687981371165
Energy: 0.45006806907891195
Energy: 0.48839283138594247
Energy: 0.4884093413203197
   minimum gb energy = 0.45006806907891195 eV
   minimum distance = 2.56143409555162 Angstroms
   sigma value = 197

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

Energy: 0.8319477387699159
Energy: 0.46016815426690316
Energy: 0.4601660841853337
Energy: 0.480892925992495
Energy: 0.48155097330814545
Energy: 0.48153870689231765
Energy: 0.4304613537928478
Energy: 0.5111116081126557
Energy: 0.5111292919533298
Energy: 0.4304618660626199
Energy: 0.4808348743590084
Energy: 0.4808294087035619
Energy: 0.6241088762058044
Energy: 0.4815375242780251
Energy: 0.48154593714336597
Energy: 0.4304610357606686
Energy: 0.48085506643191817
Energy: 0.48083767267311595
Energy: 0.779426077682403
Energy: 0.4958428811070683
Energy: 0.4958404112356766
Energy: 0.8263394210428361
Energy: 0.4808229081345303
Energy: 0.48082715409443966
Energy: 0.48083631929977577
Energy: 0.45334534757361217
Energy: 0.45334497937970625
Energy: 0.4539239620433678
Energy: 0.48154098044218235
Energy: 0.4815381702611299
   minimum gb energy = 0.4304610357606686 eV
   minimum distance = 2.57143512972293 Angstroms
   sigma value = 113

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

Energy: 0.6095995522636999
Energy: 0.44116035117115165
Energy: 0.4411610585755336
Energy: 0.40965840214416105
Energy: 0.43009114399598736
Energy: 0.4301102959961308
Energy: 0.4096570690026281
Energy: 0.4530175345511824
Energy: 0.45300821213909936
Energy: 0.4096579733086427
Energy: 0.4530139123865076
Energy: 0.45299127117750043
Energy: 0.39335629784555676
Energy: 0.45298620780686716
Energy: 0.4530218955803413
Energy: 0.42044774840726995
Energy: 0.4305739278955129
Energy: 0.4305612008939102
Energy: 0.8841446242207492
Energy: 0.44145485650952543
Energy: 0.4414486788349647
Energy: 0.4530044395716127
Energy: 0.4530098392579236
Energy: 0.45300364025925294
Energy: 0.7183532923757356
Energy: 0.4529971555433201
Energy: 0.45299718910359493
Energy: 0.5845413584427649
Energy: 0.4301170978074744
Energy: 0.4300911253366241
   minimum gb energy = 0.39335629784555676 eV
   minimum distance = 2.56875012899431 Angstroms
   sigma value = 145

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

Energy: 0.43546121122086134
Energy: 0.41403097867132654
Energy: 0.4140349100706593
Energy: 0.6744491108033206
Energy: 0.40879419889432644
Energy: 0.4087909080772763
Energy: 0.44570568229833923
Energy: 0.4087743803594285
Energy: 0.4088315345551937
Energy: 0.3914013133393241
Energy: 0.40937747462881163
Energy: 0.40936032454200155
Energy: 0.37555613095544405
Energy: 0.42801355365661164
Energy: 0.4280158905212306
Energy: 0.6060372877905532
Energy: 0.4087874895555376
Energy: 0.4087834367193906
Energy: 0.4785854836313165
Energy: 0.408834732241061
Energy: 0.4088369287258722
Energy: 0.43357743528502934
Energy: 0.4183601168954742
Energy: 0.4184158518786743
Energy: 0.38728808448558893
Energy: 0.3910883876225071
Energy: 0.39108806199170176
Energy: 0.39566180687763775
Energy: 0.4281100091439054
Energy: 0.42801669723308944
   minimum gb energy = 0.37555613095544405 eV
   minimum distance = 2.56952938619366 Angstroms
   sigma value = 181

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

Energy: 0.40690359878674726
Energy: 0.38301101870207566
Energy: 0.38299160545054006
Energy: 0.6112097826231314
Energy: 0.3975024023141391
Energy: 0.3975195655618058
Energy: 0.36040652086573793
Energy: 0.43182780683894006
Energy: 0.431825375161442
Energy: 0.3601886796384869
Energy: 0.38163230472426685
Energy: 0.381642213645769
Energy: 0.360187671110725
Energy: 0.38933547024843174
Energy: 0.3893537115096639
Energy: 0.3601843250734387
Energy: 0.3975020408192363
Energy: 0.39751112643488723
Energy: 0.6112069117620019
Energy: 0.3893321688454053
Energy: 0.38931734864787326
Energy: 0.397526872082017
Energy: 0.38931852970295383
Energy: 0.38934282043146856
Energy: 0.6112178671591529
Energy: 0.38931623299714907
Energy: 0.3893254183778119
Energy: 0.34814691671632975
Energy: 0.389326145153532
Energy: 0.3893398207679497
   minimum gb energy = 0.34814691671632975 eV
   minimum distance = 2.567920796959 Angstroms
   sigma value = 55

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

Energy: 0.3867137793097292
Energy: 0.3618123331971759
Energy: 0.36181516219913046
Energy: 0.5755111552679822
Energy: 0.36503230993449515
Energy: 0.3650435213636506
Energy: 0.5579948516306786
Energy: 0.34619763404376525
Energy: 0.34619817919978935
Energy: 0.32560607578727074
Energy: 0.37169765227254203
Energy: 0.3717100528071769
Energy: 0.3463821785351275
Energy: 0.35869431800452695
Energy: 0.35868932887290766
Energy: 0.3351003129357308
Energy: 0.35849073682724364
Energy: 0.3584673519687881
Energy: 0.3395610275923778
Energy: 0.34052253854785774
Energy: 0.34053304257869266
Energy: 0.37170064451847395
Energy: 0.37173492329453445
Energy: 0.3716979629781201
Energy: 0.5771337696078702
Energy: 0.39961381206804003
Energy: 0.39961870677128025
Energy: 0.3351019230609618
Energy: 0.3717038908427505
Energy: 0.37168763601758475
   minimum gb energy = 0.32560607578727074 eV
   minimum distance = 2.56687130288748 Angstroms
   sigma value = 265

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

Energy: 0.3572961739363293
Energy: 0.3407408311621207
Energy: 0.34074048008366525
Energy: 0.3242969925407957
Energy: 0.32824741556077286
Energy: 0.3282542599875377
Energy: 0.3234566615126747
Energy: 0.33869810739701994
Energy: 0.3387173313138133
Energy: 0.3009127920291402
Energy: 0.34417866353409277
Energy: 0.34417770351464855
Energy: 0.3233127877882936
Energy: 0.33870574437359
Energy: 0.33871848249990016
Energy: 0.31444897636221286
Energy: 0.3441888425971192
Energy: 0.34419241863071026
Energy: 0.5347137719996876
Energy: 0.3499185111350853
Energy: 0.3499180406324194
Energy: 0.35578280453340966
Energy: 0.34421670243633856
Energy: 0.34416269546654144
Energy: 0.3333494415820274
Energy: 0.34989414969942667
Energy: 0.3499040267196927
Energy: 0.3187047904866208
Energy: 0.34418789535522504
Energy: 0.3441757370384328
   minimum gb energy = 0.3009127920291402 eV
   minimum distance = 2.56536471870779 Angstroms
   sigma value = 39

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

Energy: 0.3425037928439769
Energy: 0.3279678834148128
Energy: 0.32796245964816256
Energy: 0.5082159611152814
Energy: 0.32624923108692055
Energy: 0.3262592879234411
Energy: 0.4196502828253321
Energy: 0.32153717786756386
Energy: 0.32150379686099045
Energy: 0.28307500927424556
Energy: 0.32155249641706735
Energy: 0.3214882703289189
Energy: 0.29684471323384487
Energy: 0.33110093562412124
Energy: 0.33110396411534354
Energy: 0.3043153924238034
Energy: 0.3361672495120898
Energy: 0.3361722063373305
Energy: 0.508198297523578
Energy: 0.3214908248156626
Energy: 0.3214846297053943
Energy: 0.3311061002865362
Energy: 0.32150012735080324
Energy: 0.32149016784030904
Energy: 0.3135673144136838
Energy: 0.30828065143754313
Energy: 0.30827962744019854
Energy: 0.4866268112931371
Energy: 0.3215053517690108
Energy: 0.3214987548826039
   minimum gb energy = 0.28307500927424556 eV
   minimum distance = 2.56507495682016 Angstroms
   sigma value = 91

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

Energy: 0.32916992804588685
Energy: 0.3088199140882663
Energy: 0.30882051326757737
Energy: 0.48473808225714643
Energy: 0.3105770223140004
Energy: 0.310579382375542
Energy: 0.2880307501507078
Energy: 0.31483692207551733
Energy: 0.31481940927664104
Energy: 0.2819262409921612
Energy: 0.31914088214258424
Energy: 0.31913723983566233
Energy: 0.2768443824744931
Energy: 0.31057560074486873
Energy: 0.31056747916928035
Energy: 0.36586175467496995
Energy: 0.2950366300886504
Energy: 0.29503789491048954
Energy: 0.29494196715211346
Energy: 0.30248678042092947
Energy: 0.3024968234121685
Energy: 0.31918190611805963
Energy: 0.3148156949283337
Energy: 0.3148298819422957
Energy: 0.30249031628290085
Energy: 0.3191541213051492
Energy: 0.31916645591072196
Energy: 0.29494479851654476
Energy: 0.550989247651331
Energy: 0.5509346345966847
   minimum gb energy = 0.2768443824744931 eV
   minimum distance = 2.52889582590346 Angstroms
   sigma value = 105

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

Energy: 0.010093809010764754
Energy: 0.010093809010074202
Energy: 0.010093809002438692
Energy: 0.010093809004174933
Energy: 0.17405141630554524
Energy: 0.17405141630416412
Energy: 0.010093809005911173
Energy: 0.17405141630276333
Energy: 0.17405141630449955
Energy: 0.010093809006246584
Energy: 0.17405141630449955
Energy: 0.17405141630520984
Energy: 0.010093809005200894
Energy: 0.17405141630347362
Energy: 0.1740514163062358
Energy: 0.010093809004510344
Energy: 0.17405141630311846
Energy: 0.17405141630728146
Energy: 0.010093809005200894
Energy: 0.17405141630449955
Energy: 0.17405141629931056
Energy: 0.010093809004865483
Energy: 0.010093809001748142
Energy: 0.010093809009383652
Energy: 0.010093809003819792
Energy: 0.17405141630449955
Energy: 0.17405141630554524
Energy: 0.010093809010074202
Energy: 0.17405141630416412
Energy: 0.17405141630347362
   minimum gb energy = 0.010093809001748142 eV
   minimum distance = 2.84004334131784 Angstroms
   sigma value = 1