Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Mo__MO_228581001644_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.158251941204071
cohesive_energy=6.380583344111484
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.1436963145256598e-19, 3.22388380116846e-19, 4.1129476371414e-19, 4.864704935580539e-19, 5.51441960420022e-19, 6.09746770307916e-19, 6.6340526795721e-19, 7.1158592369485795e-19, 7.55405454634758e-19, 7.9474850405926185e-19, 8.30030035716576e-19, 8.6158650669984e-19, 8.89699900096638e-19, 9.146025315189e-19, 9.3649627522251e-19, 9.555557684605739e-19, 9.719332180133219e-19, 9.857616045413759e-19, 9.971594891156519e-19, 1.006232615393994e-18, 1.0132677729938879e-18, 1.018277779328406e-18, 1.021232193041502e-18, 1.022201509905072e-18, 1.0211472776799e-18, 1.017707404446702e-18, 1.0114124524517159e-18, 1.0016888424599698e-18, 9.87849240695478e-19, 9.690525044253899e-19, 9.442684340740439e-19, 9.13303166268726e-19, 8.74121936684256e-19, 8.246867766421859e-19, 7.63832903729598e-19, 6.873017324533199e-19, 5.912688671879939e-19, 4.70804410430802e-19, 3.1948523605603796e-19, 1.2882589617471118e-19, -1.1190002156014498e-19, -4.1638007235045597e-19, -8.07383268994986e-19, -1.3141661579188918e-18, -1.9748108755357197e-18, -2.85485445705924e-18, -4.04831583172584e-18, -5.700816833799779e-18, -8.04927132215064e-18, -1.148994564366564e-17, -1.6773988269662998e-17, -2.53538043623964e-17, -4.0426921917404994e-17, -7.00540517980062e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01611960935012034
Energy: 0.016275747783074723
Energy: -0.38110765398339963
Energy: 0.016275747783074723
Energy: 0.016275747783074723
Energy: -2.2943023270886873
Energy: -1.3130485212543248
Energy: -2.2943023270886873
Energy: -0.38473473515198653
Energy: -1.300215706635589
Energy: -0.616655506645566
Energy: -1.3097998077959114
Energy: 0.016275747783074723
Energy: -2.294302327090285
Energy: -1.3037616804459466
Energy: -2.294302327090285

minimum gb energy = -2.294302327090285 eV
minimum distance =  2.77189566214571 Angstroms
sigma value = 1


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

Energy: 2.5188122961525736
Energy: 1.329295485591121
Energy: 1.0306504407106885
Energy: 1.3292954855901244
Energy: 2.794329409756408
Energy: 1.033741714813474
Energy: 1.042609290262967
Energy: 1.0337417148104842
Energy: 2.8328302290714515
Energy: 1.0284357890621096
Energy: 1.0421153755112271
Energy: 1.0284357890491538
Energy: 2.810257378022278
Energy: 1.0371736573963435
Energy: 1.0295038386817912
Energy: 1.037173657413286
Energy: 2.1643147394236144
Energy: 1.0400052126166683
Energy: 1.3106128814739955
Energy: 1.040005212614675
Energy: 2.7879716480485874
Energy: 1.027292162410347
Energy: 1.4373473083571227
Energy: 1.0272921624133369
Energy: 2.1816732064157764
Energy: 1.0324303807414517
Energy: 1.4290395907620306
Energy: 1.0324303807354722
Energy: 2.2015407059098115
Energy: 1.027373187152639
Energy: 1.4471026437193117
Energy: 1.0273731871884717
Energy: 1.749450480747542
Energy: 1.0932353868893616
Energy: 1.4293855523017003
Energy: 1.0932353868893616
Energy: 2.1968635822434757
Energy: 1.1626975601715255
Energy: 2.2042456447738745
Energy: 1.1626975601745153
Energy: 2.0143452701403666
Energy: 1.0301760761905805
Energy: 1.9870480647733393
Energy: 1.0301760761865943
Energy: 1.4158127762846777
Energy: 1.0281878873899557
Energy: 2.1774429264821458
Energy: 1.0281878873879624
Energy: 1.437399002644605
Energy: 1.0335938918240584
Energy: 2.129398909421122
Energy: 1.0335938918270482
Energy: 1.4457213710530832
Energy: 1.0300156145734805
Energy: 2.754191614411446
Energy: 1.0300156145934125
Energy: 1.425113301041216
Energy: 1.0395257471691755
Energy: 2.403383337705211
Energy: 1.0395257471841246
Energy: 1.0245718895652551
Energy: 1.031806302168907
Energy: 2.8265567381914707
Energy: 1.0318063021579444
Energy: 1.0445656654534596
Energy: 1.0104294839281327
Energy: 2.8336606231462955
Energy: 1.0104295214287338
Energy: 1.0388605739793213
Energy: 1.0323741198612952
Energy: 2.849531223801983
Energy: 1.0323741198652816
Energy: 1.0344465451104414
Energy: 1.0470495939125304
Energy: 2.5767073448040394
Energy: 1.0470495939026099
Energy: 1.1635083077952282
Energy: 1.0309517752424586
Energy: 2.816179989418189
Energy: 1.030951775241462
Energy: 1.167706592570765
Energy: 1.0336161030752433
Energy: 2.604481166785512
Energy: 1.0336161030752433
Energy: 1.110094262920775
Energy: 1.0313322319387472
Energy: 2.5956066588206745
Energy: 1.0313322319397438
Energy: 1.1631529636186086
Energy: 1.0302315159731799
Energy: 2.1749977668768095
Energy: 1.0302315159751276
Energy: 1.7664115641152425
Energy: 1.0303424985287453
Energy: 2.63609421670088
Energy: 1.030342498537715
Energy: 1.7547227648653607
Energy: 1.1700232881653962
Energy: 2.012391359681149
Energy: 1.170023288168386
Energy: 1.7449157666078143
Energy: 1.1650425568801497
Energy: 1.7513733131718026
Energy: 1.16504255687716
Energy: 1.730280323406641
Energy: 1.128652158170601
Energy: 1.7419395010138863
Energy: 1.1286521581715976
Energy: 2.5971744036979336
Energy: 1.0358998683403622
Energy: 1.7299291996734407
Energy: 1.0358998683383691
Energy: 2.4406521092290587
Energy: 1.0237447238335908
Energy: 1.7698574179359887
Energy: 1.023744723820635
Energy: 2.439217049168236
Energy: 0.9869037890595427
Energy: 1.158911819600916
Energy: 0.9869037890734953
Energy: 2.632672022528676
Energy: 1.0308001592289215
Energy: 1.338543637296722
Energy: 1.030800159211979
Energy: 2.8452301829941136
Energy: 1.0290388681538827
Energy: 1.1638188095911433
Energy: 1.0290388681548794
Energy: 2.7712142654991556
Energy: 1.0435975745155168
Energy: 1.1553912222101421
Energy: 1.0435975745005677

minimum gb energy = 0.9869037890595427 eV
minimum distance =  2.61232769198611 Angstroms
sigma value = 1


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

Energy: 4.1267521816794925
Energy: 1.1705050356157805
Energy: 1.14108034217314
Energy: 1.170505035618053
Energy: 2.605822544643361
Energy: 1.142978696707753
Energy: 1.1398741809852935
Energy: 1.1429786967088895
Energy: 2.69697771388347
Energy: 1.1377489446408184
Energy: 1.1366624447992413
Energy: 1.1377489446442273
Energy: 2.7068316826478314
Energy: 1.137976870911807
Energy: 1.1483605305201894
Energy: 1.137976870911807
Energy: 2.199160078139273
Energy: 1.1427212685044845
Energy: 1.4738023377472944
Energy: 1.142721268507842
Energy: 2.719312661830457
Energy: 1.13421670103142
Energy: 1.4172435936939027
Energy: 1.134216701024602
Energy: 2.2656145951151716
Energy: 1.3142178815213625
Energy: 1.4759565627731506
Energy: 1.3142178815213625
Energy: 2.252197352588144
Energy: 1.1370809270993882
Energy: 1.4413221488903358
Energy: 1.1370809271005247
Energy: 2.2337734357656465
Energy: 1.134042766707551
Energy: 1.8464508876359789
Energy: 1.13404276671096
Energy: 2.2666644654273833
Energy: 1.3064294347401428
Energy: 2.2754362435854216
Energy: 1.3064294347378704
Energy: 1.8508203707132878
Energy: 1.136713881567038
Energy: 1.7544921858948133
Energy: 1.136713881567038
Energy: 1.5203833545056187
Energy: 1.138650009769032
Energy: 1.7551922229346952
Energy: 1.1386500097678958
Energy: 1.5018006863154247
Energy: 1.307847421348804
Energy: 2.2195946415213865
Energy: 1.3078474213453952
Energy: 1.4878454951921498
Energy: 1.1190923734634348
Energy: 2.74713142325682
Energy: 1.1190923734600258
Energy: 1.4624998464483696
Energy: 1.1358362355350786
Energy: 2.6644051587846427
Energy: 1.1358362355339424
Energy: 1.1406865071612227
Energy: 1.1442031501879553
Energy: 2.5508525156759534
Energy: 1.1442031501879553
Energy: 1.142012666745849
Energy: 1.1223238007982226
Energy: 2.7293490773824587
Energy: 1.1223238008458958
Energy: 1.139553146846019
Energy: 1.1424114537640992
Energy: 2.7618466758394717
Energy: 1.1424114537652357
Energy: 1.141092518753582
Energy: 1.0984875523140476
Energy: 2.157507386345484
Energy: 1.0984875524968896
Energy: 1.475521490690499
Energy: 1.14015928019618
Energy: 2.686941554904648
Energy: 1.1401592801950435
Energy: 1.507381586283409
Energy: 1.1419298650822673
Energy: 2.6976069968255856
Energy: 1.1419298650822673
Energy: 1.4990998581394912
Energy: 1.1317485492881434
Energy: 2.167285006167315
Energy: 1.1317485492892798
Energy: 1.4774232045616111
Energy: 1.1352636649003551
Energy: 2.2280540928588537
Energy: 1.1352636649014916
Energy: 2.276290517481951
Energy: 1.306642405638007
Energy: 2.269388246066539
Energy: 1.306642405638007
Energy: 1.7459513409740635
Energy: 1.1343881309928474
Energy: 1.9024158726708225
Energy: 1.1343881309894386
Energy: 1.7118361438249086
Energy: 1.1449086113099058
Energy: 1.4393577910420112
Energy: 1.1449086113087694
Energy: 2.2705107911331095
Energy: 1.2644610206855615
Energy: 1.4848446969892395
Energy: 1.264461021170558
Energy: 2.736911909904723
Energy: 1.1405984394942423
Energy: 1.4726240544499596
Energy: 1.1405984394420239
Energy: 2.68260779411496
Energy: 1.1357697944252205
Energy: 1.4747894833062682
Energy: 1.135769794541072

minimum gb energy = 1.0984875523140476 eV
minimum distance =  2.61228787205182 Angstroms
sigma value = 25


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

Energy: 2.483737319483478
Energy: 1.2805877523207556
Energy: 1.1988079334980255
Energy: 1.2805877523207556
Energy: 2.3415474475860827
Energy: 1.1710686711424232
Energy: 1.1363496275309706
Energy: 1.1710686139583482
Energy: 2.3147598300087666
Energy: 1.1167644709743234
Energy: 1.2188726933686043
Energy: 1.1167640709419377
Energy: 2.3581367328849963
Energy: 1.1403724763007819
Energy: 1.0992071164169244
Energy: 1.1403724908311605
Energy: 1.9634252571034971
Energy: 1.2258091483790672
Energy: 1.3709792978406554
Energy: 1.2258091483790672
Energy: 2.368610784547253
Energy: 1.1291534752311405
Energy: 1.7505689769952315
Energy: 1.1291667399635827
Energy: 1.866196382383071
Energy: 1.319457562085228
Energy: 1.798113185751009
Energy: 1.3194575620812652
Energy: 1.776805657943003
Energy: 1.4051571171748323
Energy: 1.784436763101961
Energy: 1.4051571171735113
Energy: 1.8062018499510766
Energy: 1.3331247827434094
Energy: 1.7419942086767148
Energy: 1.3331247827328419
Energy: 1.6602630749400458
Energy: 1.1847338734008679
Energy: 2.3706211498800966
Energy: 1.184733873395584
Energy: 1.460447215700538
Energy: 1.2100425105744974
Energy: 2.4068535137578753
Energy: 1.2100425105401833
Energy: 1.1975002005541417
Energy: 1.1982218534565467
Energy: 2.4037250117813675
Energy: 1.1982218534552256
Energy: 1.1786280562992473
Energy: 1.2019244110489238
Energy: 2.3910779222030496
Energy: 1.2019244110515657
Energy: 1.1271234741748202
Energy: 1.2091196241884754
Energy: 2.353112033328784
Energy: 1.2091196241897961
Energy: 1.1749703262738138
Energy: 1.1980894738158305
Energy: 2.0529030449420014
Energy: 1.1980894738171513
Energy: 1.3103341504348696
Energy: 1.183944298375703
Energy: 2.236106508279883
Energy: 1.1839442983743822
Energy: 1.3323796547159839
Energy: 1.2018678537556764
Energy: 2.3629115185545873
Energy: 1.2018678537556764
Energy: 1.390444379756528
Energy: 1.1827291608701744
Energy: 2.0876594266328894
Energy: 1.1827291607341786
Energy: 1.2546562479087595
Energy: 1.1752791211682883
Energy: 1.785502118467811
Energy: 1.1752790709120402
Energy: 2.1731861899663922
Energy: 1.3240095050924472
Energy: 2.1552366164654084
Energy: 1.3240095061355317
Energy: 1.989605922563799
Energy: 1.2552447991393392
Energy: 2.115726394768298
Energy: 1.2552447991380182
Energy: 1.9818757917699035
Energy: 1.2181152845656198
Energy: 1.373107522101086
Energy: 1.2181152845642989
Energy: 2.172913146604813
Energy: 1.2182334486444006
Energy: 1.3421043054277406
Energy: 1.2182334486430797
Energy: 2.351432461789656
Energy: 1.206234597190444
Energy: 1.2897738705197535
Energy: 1.206234597191765
Energy: 2.1984434885656086
Energy: 1.0952506491206018
Energy: 1.351124309581199
Energy: 1.0952506900076746

minimum gb energy = 1.0952506491206018 eV
minimum distance =  2.61550879213333 Angstroms
sigma value = 9


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

Energy: 3.3829136715345602
Energy: 0.9236067644445014
Energy: -0.5446863261735466
Energy: 0.674884136870294
Energy: 2.039171361426612
Energy: -0.5012838014840664
Energy: -0.47405461826710116
Energy: -0.4065871813423488
Energy: 1.897261714271971
Energy: 0.8256853627436527
Energy: -0.6260105096481006
Energy: -0.5437649229244833
Energy: 0.5521272401694683
Energy: -0.47005518087899306
Energy: -0.5939637697132626
Energy: -0.6091146906204098
Energy: 0.40670994778107894
Energy: -0.7007804255843919
Energy: 1.1793315230799968
Energy: -0.5999952289796876
Energy: 0.4754736914613608
Energy: -0.4105842022496095
Energy: 1.4946900371481593
Energy: -0.49333169454047976
Energy: 0.6870985915482916
Energy: -0.4889028957714092
Energy: -1.1680492095736643
Energy: -0.6157967353271488
Energy: 1.5205733975911266
Energy: -0.37767221142987695
Energy: 1.570820125361798
Energy: -0.46339469799197724
Energy: 1.6233531147054634
Energy: -0.5355607918993136
Energy: 1.483488070416317
Energy: -0.33591604995028357
Energy: 1.6025538298705806
Energy: -0.5086609737859353
Energy: 0.5075410975687498
Energy: -0.6365477146913142
Energy: 1.6129817173834538
Energy: 1.1776617988490943
Energy: 2.0425076128368858
Energy: 1.2365383867166655
Energy: -0.5554856478903554
Energy: -0.433010699052045
Energy: 2.051719221147691
Energy: -0.4759196491069853
Energy: -0.576692808972096
Energy: -0.4795126783169008
Energy: 0.43591953237408126
Energy: -0.5278354853725469
Energy: 1.1373815123952125
Energy: 1.2705605560772362
Energy: 0.6777751939774389
Energy: 1.2528306609852482
Energy: -0.4352709846685054
Energy: 1.2427735977177303
Energy: 1.3330709174007767
Energy: 0.7612885351214697
Energy: 1.4957129794978783
Energy: -0.5942648828304323
Energy: 1.821079043005058
Energy: -0.6229563734288894
Energy: -1.1340977849665963
Energy: -0.2238338587843648
Energy: 0.5192008816432593
Energy: -0.4539543716741864
Energy: -1.070976724590727
Energy: -0.4256360069553987
Energy: 1.2745366121872872
Energy: -0.41526765900434054
Energy: 1.5301022540694105
Energy: -0.5452755962863097
Energy: 1.653266813829688
Energy: -0.5946370967891943
Energy: 1.9336019686575396
Energy: -0.5249838221479926
Energy: 1.1125012661524614
Energy: -0.5753782782199364
Energy: 1.9456250855651545
Energy: -0.4870891898594151
Energy: 1.3517327803689263
Energy: -0.5451899091777318

minimum gb energy = -1.1680492095736643 eV
minimum distance =  2.64401585430296 Angstroms
sigma value = 25


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

Energy: 1.7409696469490252
Energy: 1.5518105095611734
Energy: 1.6240128808237935
Energy: 1.5518108103438077
Energy: 1.4050590148489759
Energy: 1.565697250384053
Energy: 1.5539921783712962
Energy: 1.565697243194405
Energy: 1.7402970910646764
Energy: 1.4960878972284035
Energy: 1.5000270909798894
Energy: 1.496087897859533
Energy: 1.5694504328453267
Energy: 1.5721208089225596
Energy: 1.6438890782631363
Energy: 1.5658043069931635
Energy: 1.621316639615116
Energy: 1.7168376540940047
Energy: 1.6546938094411932
Energy: 1.7168376524207813
Energy: 1.5526894112612406
Energy: 1.693036471044954
Energy: 1.7219220841784553
Energy: 1.6930364710469026
Energy: 1.6575684706928135
Energy: 1.6821933934781013
Energy: 1.6832520952820427
Energy: 1.682186051305551
Energy: 1.5405656405232684
Energy: 1.5749342529413863
Energy: 1.7342156123139747
Energy: 1.5749342529004624
Energy: 1.5698350310197502
Energy: 1.583290099920716
Energy: 1.6337174403713495
Energy: 1.583290099920716
Energy: 1.5779644683128997
Energy: 1.4155104219251784
Energy: 1.6213106521562808
Energy: 1.4139087867785816
Energy: 1.638603212689965
Energy: 1.664334326019631
Energy: 1.459912674456356
Energy: 1.6643343260469134
Energy: 1.6535722833328672
Energy: 1.589784744022053
Energy: 1.4840870237611523
Energy: 1.5897847441194464
Energy: 1.7297918203567644
Energy: 1.5665025445924143
Energy: 1.586091021507182
Energy: 1.5665025445924143
Energy: 1.706934301085109
Energy: 1.7737454206809906
Energy: 1.6191553671639445
Energy: 1.7737454206303231
Energy: 1.6227037198689658
Energy: 1.7550451239842362
Energy: 1.728565734393451
Energy: 1.7550451239861846
Energy: 1.4160283818356132
Energy: 1.5435166478308515
Energy: 1.5825442700687788
Energy: 1.5435163626449062
Energy: 1.3616756985016916
Energy: 1.671951311510716
Energy: 1.6189146441813387
Energy: 1.671951311500972

minimum gb energy = 1.3616756985016916 eV
minimum distance =  2.63380892846949 Angstroms
sigma value = 17


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

Energy: 2.069267602265875
Energy: 1.8395966932360854
Energy: 1.823594820791629
Energy: 1.8395966932360854
Energy: 1.752801103536725
Energy: 1.5681591629575395
Energy: 1.5868130039023558
Energy: 1.5681591629597469
Energy: 1.776712190298294
Energy: 1.7917109343031998
Energy: 1.8220957669684366
Energy: 1.7917109425616768
Energy: 1.886746213650114
Energy: 1.8357353009847601
Energy: 1.8387732882532062
Energy: 1.835735300982553
Energy: 1.8572567927381813
Energy: 1.9334185771482926
Energy: 1.6560991410306458
Energy: 1.9334185771482926
Energy: 1.7203656840802455
Energy: 1.833658109798913
Energy: 1.7691914400127544
Energy: 1.833658109798913
Energy: 1.8369716751643284
Energy: 1.8407694809830473
Energy: 1.6002780708228779
Energy: 1.8407694809819437
Energy: 1.709539803589314
Energy: 1.6757281399740616
Energy: 1.6926147030512988
Energy: 1.6757281399034258
Energy: 1.752382020282798
Energy: 1.8381207322715678
Energy: 1.7031036680449652
Energy: 1.8381207322693605
Energy: 1.8085991809337973
Energy: 1.674947340236223
Energy: 1.6252604961144024
Energy: 1.6750863641147606
Energy: 1.7028923749077787
Energy: 1.8359058814291491
Energy: 1.7663566731683271
Energy: 1.8359058814313565
Energy: 1.674732249673932
Energy: 1.8028495816614316
Energy: 1.8479098873023658
Energy: 1.8028495816625356
Energy: 1.568252321876526
Energy: 1.795141457770592
Energy: 1.7684297719201987
Energy: 1.7951414577716958
Energy: 1.6637802214158384
Energy: 1.837717480830994
Energy: 1.6967998730597549
Energy: 1.837717480826579
Energy: 1.8526086778542112
Energy: 1.8444884889336965
Energy: 1.7904055002408044
Energy: 1.844488488952459
Energy: 1.6854128832580164
Energy: 1.836206694599661
Energy: 1.6703712762015506
Energy: 1.836206694598557
Energy: 1.6601892513297625
Energy: 1.7052481931240817
Energy: 1.6505199383805043
Energy: 1.7052481931240817
Energy: 1.6292784484952896
Energy: 1.7072008743998615
Energy: 1.869390008878968
Energy: 1.707200874398758
Energy: 1.6504788103713268
Energy: 1.9661679341672762
Energy: 1.8102120104770707
Energy: 1.966167934071306
Energy: 1.4045668649020222
Energy: 1.8929490908053836
Energy: 1.9339048924711886
Energy: 1.8929490908053836
Energy: 1.8350333014084859
Energy: 1.8251408579639319
Energy: 1.9119304745657506
Energy: 1.8251408579584134
Energy: 1.817359648089591
Energy: 1.8103262060178955
Energy: 1.7503136456988442
Energy: 1.8103262060167922
Energy: 1.5254586101516552
Energy: 1.5858122600018862
Energy: 1.6252083375234072
Energy: 1.5858122599985751
Energy: 1.9284920390710452
Energy: 1.840610208872226
Energy: 1.5498614464937546
Energy: 1.84061020887333
Energy: 1.6767077253636626
Energy: 1.5959570511999719
Energy: 1.7850926511055123
Energy: 1.595957051198868
Energy: 1.8751795981286803
Energy: 1.7656557003477789
Energy: 1.7842441736138002
Energy: 1.7656557003499864
Energy: 1.898947056836704
Energy: 1.982450201160369
Energy: 1.8956435227645838
Energy: 1.9824502011625766
Energy: 1.8246913199130128
Energy: 1.8261906775047245
Energy: 1.8827801831815256
Energy: 1.826190677506932
Energy: 1.8994103846910109
Energy: 1.4457478539617148
Energy: 1.553153161143248
Energy: 1.4457450667045462
Energy: 1.5214023727445036
Energy: 1.8408638275311315
Energy: 1.893521950594613
Energy: 1.8408638275322355

minimum gb energy = 1.4045668649020222 eV
minimum distance =  2.63859503324393 Angstroms
sigma value = 53


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

Energy: 2.117975403063289
Energy: 2.1353207397690848
Energy: -1.2271217775299113
Energy: 2.1353208969352973
Energy: -2.1842824990939813
Energy: 2.263408910987469
Energy: 1.78270892349284
Energy: 2.263406823462988
Energy: -1.16873903672829
Energy: -1.408128578280396
Energy: -1.4042106735604936
Energy: -1.301846852732937
Energy: -1.2458635403714857
Energy: -1.411810937461985
Energy: -1.292223290666625
Energy: -1.3867089674845885
Energy: -1.2218600497636602
Energy: -1.3425464568609577
Energy: -1.219063592211563
Energy: -1.3078479989723717
Energy: -1.2188035004930122
Energy: 1.762739193664262
Energy: -1.2864517447568267
Energy: 1.7627369206657677
Energy: -1.1823243093938471
Energy: -1.2865804336617628
Energy: 2.025075748567834
Energy: -1.287544107023619
Energy: -1.3275189920766899
Energy: -1.2781157872840985
Energy: -2.1658711517940437
Energy: -1.2392721474229578
Energy: -1.377980455992798
Energy: -1.297067767769718
Energy: -1.2638304665720133
Energy: -1.3156705790255803
Energy: -1.3033211672483815
Energy: 1.7379837193593322
Energy: -1.1541350921776892
Energy: 1.4676908222617144
Energy: -1.3302843989326887
Energy: -1.1973555716097002
Energy: -1.2873568587803395
Energy: -1.2239908921712377
Energy: -1.2073080941141576
Energy: -1.285332447192183
Energy: -1.2835101900254668
Energy: -1.2210188490224985
Energy: -2.1665581112186807
Energy: -1.321979176556439
Energy: -1.2424151801639463
Energy: -1.3345987802815624

minimum gb energy = -2.1842824990939813 eV
minimum distance =  2.6582190157603 Angstroms
sigma value = 9


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

Energy: 1.8116170254353752
Energy: 1.7627116495979547
Energy: 1.767686447806504
Energy: 1.7627116495979547
Energy: 1.7627089158562559
Energy: 1.7345809178413818
Energy: 1.6814528043666148
Energy: 1.734580919335016
Energy: 1.7050126776244636
Energy: 2.0677287409897898
Energy: 1.7705048344761338
Energy: 2.067728740986968
Energy: 1.768130422126661
Energy: 2.0960273302717245
Energy: 1.9225735565464377
Energy: 2.0960273302736057
Energy: 1.9755981845860116
Energy: 1.9844852669736903
Energy: 1.67381364875501
Energy: 1.9844852669642863
Energy: 1.6795882217411784
Energy: 1.717705857981157
Energy: 1.7498642053179094
Energy: 1.7177058579727362
Energy: 1.6390352370392065
Energy: 1.6897215536115058
Energy: 1.7969678291447253
Energy: 1.6897215536124464
Energy: 1.6718127051626905
Energy: 1.5850125418448573
Energy: 1.7948488862407483
Energy: 1.5850558883787786
Energy: 1.7102121182421326
Energy: 1.8987956911136452
Energy: 1.7368953570363528
Energy: 1.8987956911164665
Energy: 1.8660004250291895
Energy: 1.8393266944437967
Energy: 1.7129496903812693
Energy: 1.839326694444737
Energy: 1.7797689200349796
Energy: 1.9187905121943392
Energy: 1.933516862374197
Energy: 1.9187905122122073
Energy: 1.7395043956083138
Energy: 1.7857765698103845
Energy: 1.6962882832294237
Energy: 1.78577657009144
Energy: 1.7531566993394396
Energy: 1.6950421446043862
Energy: 1.7132270363403466
Energy: 1.6950421446391388
Energy: 1.6835798924405443
Energy: 1.6825013820100427
Energy: 1.8419470903963655
Energy: 1.6825013815720233
Energy: 1.8030744643735124
Energy: 1.8930889102423227
Energy: 1.7567771069271525
Energy: 1.8930889102423227
Energy: 1.8594670765062367
Energy: 1.7374125978571797
Energy: 1.9599180390755824
Energy: 1.7374125978571797
Energy: 1.7756421736222252
Energy: 1.7889472811136633
Energy: 1.7944751894531474
Energy: 1.788947280810978
Energy: 1.6207806539137428
Energy: 1.6507197063217225
Energy: 1.6140320056050517
Energy: 1.6507197063254844
Energy: 1.7836751296734872
Energy: 1.7840297608588709
Energy: 1.698312725101221
Energy: 1.784029760861692
Energy: 1.7052865775922328
Energy: 1.7249002522557033
Energy: 1.8743416787944536
Energy: 1.724900252260405
Energy: 1.8177213520211175
Energy: 1.7820712239137222
Energy: 1.6818359500798
Energy: 1.7820712239165433
Energy: 1.7554417631709514
Energy: 1.7537397698677537
Energy: 1.7450388581604657
Energy: 1.7537397698235972
Energy: 1.7952651274424438
Energy: 1.785806385608559
Energy: 1.6906775354899448
Energy: 1.785806385605738
Energy: 1.5552185353934136
Energy: 1.7896401329897216
Energy: 1.7796260418058008
Energy: 1.7896401331730167
Energy: 1.7413250122983857
Energy: 1.8396553941474663
Energy: 1.7984140766976093
Energy: 1.8396553941484068
Energy: 1.8413825175408165
Energy: 1.739317179595132
Energy: 1.704309871283741
Energy: 1.7393171795923104
Energy: 1.6695798519826348
Energy: 1.7424344828878238
Energy: 1.8745740755470723
Energy: 1.7424344828897045
Energy: 1.8372919921355693
Energy: 1.7218482826246013
Energy: 1.6697987676797954
Energy: 1.721848282625542
Energy: 1.6537788554296917
Energy: 1.7188627075334417
Energy: 1.726390573324648
Energy: 1.7188627075334417
Energy: 1.7027788854525467
Energy: 1.6956416322690422
Energy: 1.699870824335933
Energy: 1.695641632162861
Energy: 1.8052416227847945
Energy: 1.843803868931245
Energy: 1.709356353257375
Energy: 1.843803868934964
Energy: 1.7584592955411522
Energy: 1.9095460399433408
Energy: 1.8308076951011578
Energy: 1.9095460399395792
Energy: 1.8072262286297303
Energy: 1.845654585389668
Energy: 1.9812771099893987
Energy: 1.8456545853877873
Energy: 1.7617991463306408
Energy: 1.865488614328931
Energy: 1.5652681364733467
Energy: 1.865488614384373
Energy: 1.8614113208879888
Energy: 1.6812200329052593
Energy: 1.8190726431815363
Energy: 1.6812200329062

minimum gb energy = 1.5552185353934136 eV
minimum distance =  2.62691605162796 Angstroms
sigma value = 73


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

Energy: 1.906360508817744
Energy: 1.4219942579529374
Energy: 1.4059944311929482
Energy: 1.4446058861920763
Energy: 1.4972160148580063
Energy: 1.72122748716646
Energy: 0.7380629640414785
Energy: 1.7322507100440854
Energy: 1.7038521570415597
Energy: 2.0693364088856376
Energy: 1.7991625544737162
Energy: 2.069336411780406
Energy: 1.6146702984319907
Energy: 2.0704217587382554
Energy: 1.7830642567571426
Energy: 2.0704217582043407
Energy: 1.80457868858247
Energy: 1.9983877911092163
Energy: 1.1534473339368927
Energy: 1.957821708319368
Energy: 0.49688289876303793
Energy: 1.7328508932934379
Energy: 1.6646221400370664
Energy: 1.6521737523071267
Energy: 0.6265804291452294
Energy: 0.7842241186039055
Energy: 0.7092707175639597
Energy: 0.7043887842341219
Energy: 0.5495620968777474
Energy: 0.6206820760728206
Energy: 0.9450991987832591
Energy: 0.7057105757023765
Energy: 0.4315129462481656
Energy: 1.68084966529292
Energy: 1.5969111523166972
Energy: 1.7287971949463987
Energy: 1.6072904443681444
Energy: 1.6057271973804401
Energy: 1.590655327514334
Energy: 0.1618904471594925
Energy: 0.7670000264119043
Energy: 0.09433303412382606
Energy: 1.752696062664436
Energy: 1.7052095978711406
Energy: 1.168637235988329
Energy: 1.6380310332844397
Energy: 1.3780147891508858
Energy: 1.6380291506732192
Energy: 1.2942541259050182
Energy: 1.3932242282694167
Energy: 1.2859551923502064
Energy: 1.5444180682685948
Energy: 1.4204272303200425
Energy: 1.5277383136129665
Energy: 1.6586419191683983
Energy: 0.24399991414112238
Energy: 0.9376505349565826
Energy: 1.6679526749137914
Energy: 1.3877516457415668
Energy: 1.6969905916487522
Energy: 1.6300009034894345
Energy: 1.436798735967813
Energy: 1.6529965005585607
Energy: 1.234309146173612
Energy: 1.2395375461801696
Energy: 0.7569338085024188
Energy: 0.8760805721988235
Energy: 1.4784700267941646
Energy: 1.3693624519295085
Energy: 1.5743420491612332
Energy: 0.17562277323108189
Energy: 1.5744661151288364
Energy: 1.5716574658281093
Energy: 1.2908992835421116
Energy: 0.3457414549754503
Energy: 1.6454941084508559
Energy: 1.446576727934088
Energy: 0.5446019208105972
Energy: 1.0221868291988356
Energy: 1.2891656373376623
Energy: 1.1480202171496978
Energy: 1.7140940996793603
Energy: 0.3463590757309026
Energy: 1.6703138962415565
Energy: 0.9552829587084614
Energy: 1.3637122418106777
Energy: 0.8373014570992403
Energy: 1.6007533715599362

minimum gb energy = 0.09433303412382606 eV
minimum distance =  2.59304648642729 Angstroms
sigma value = 7


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

Energy: 3.3318437045189158
Energy: 1.6806366102345422
Energy: 1.8267344521190054
Energy: 1.6806372025589202
Energy: 1.4478338638141683
Energy: 1.82867273177432
Energy: 1.4486015197715536
Energy: 1.828672899144453
Energy: 1.6908657414670563
Energy: 1.8984143868422216
Energy: 1.7815600089815036
Energy: 1.8984143868432768
Energy: 1.9862942800992718
Energy: 1.894332186596161
Energy: 1.9374792170865491
Energy: 1.894332186594051
Energy: 1.8649875266617595
Energy: 1.8943920748104681
Energy: 1.7166735858302389
Energy: 1.8943920748104681
Energy: 1.7123358124814019
Energy: 1.830963702589437
Energy: 1.7468701130065463
Energy: 1.8309637021159662
Energy: 1.3500121851403817
Energy: 1.714113918556428
Energy: 1.7721213256434023
Energy: 1.7141139185448226
Energy: 1.700186014782409
Energy: 1.7325365581904268
Energy: 2.056616732943276
Energy: 1.732536558168271
Energy: 1.6875703829418673
Energy: 1.7534803325438062
Energy: 1.6975978108415797
Energy: 1.7534803325448611
Energy: 1.845470009116039
Energy: 1.7079371975504543
Energy: 1.6746776969191053
Energy: 1.7079371985786334
Energy: 1.6958583407464878
Energy: 1.75207831095892
Energy: 1.7615552923586377
Energy: 1.752078310957865
Energy: 1.4906302990442917
Energy: 1.7429669414948854
Energy: 1.745566926713997
Energy: 1.7429669415001607
Energy: 1.7024516537893368
Energy: 1.7585148872490017
Energy: 1.7581157199581954
Energy: 1.7585148872500567
Energy: 1.7607792745936408
Energy: 1.747465819911599
Energy: 1.7490512742187703
Energy: 1.7474658199105442
Energy: 1.7532511687499266
Energy: 1.8677424031621068
Energy: 1.7526521973766955
Energy: 1.8677424031631618
Energy: 1.7450007623325914
Energy: 1.5790501250618365
Energy: 1.5270449883782062
Energy: 1.5795116690527558
Energy: 1.6484497222813301
Energy: 1.85638129258483
Energy: 1.6020059482174285
Energy: 1.8563812925837753
Energy: 1.7931802982248566
Energy: 1.8777272983770892
Energy: 1.6058891448085844
Energy: 1.8777272984203457
Energy: 1.8705784561319272
Energy: 1.8702853694437966
Energy: 1.9894787555745908
Energy: 1.870285369568195
Energy: 1.5816536090356805
Energy: 1.8990338552371007
Energy: 2.05121481240464
Energy: 1.8990338552371007
Energy: 1.9879281565597058
Energy: 1.868971390720521
Energy: 1.7016127307409996
Energy: 1.8689713907131358
Energy: 1.7800176937507421
Energy: 1.641580824078276
Energy: 1.6818380095744032
Energy: 1.641580823654344
Energy: 1.8576573587556346
Energy: 1.58201161237359
Energy: 1.7427661696963335
Energy: 1.4405650142011743
Energy: 1.715864181486085
Energy: 1.7268212267805805
Energy: 1.5878658993595118
Energy: 1.7268212268364493
Energy: 1.7445201765061733
Energy: 1.7495464285498497
Energy: 1.8931087981881898
Energy: 1.7495464285498497
Energy: 1.7616030383726626
Energy: 1.713684347357635
Energy: 1.9518626850274574
Energy: 1.7136844044718753
Energy: 1.7460629760921593
Energy: 1.7393815713570142
Energy: 1.5955543115037754
Energy: 1.7393815713570142
Energy: 1.743251557367809
Energy: 1.7568127894084353
Energy: 1.7912912709963371
Energy: 1.7568127894094907
Energy: 1.7482862371318935
Energy: 1.744092539106202
Energy: 1.89955798767968
Energy: 1.744092539106202
Energy: 1.7511684820998634
Energy: 1.6828112482328208
Energy: 1.736273842352417
Energy: 1.6828114116810553
Energy: 1.6854372476199382
Energy: 1.7457633873085152
Energy: 1.664186280950505
Energy: 1.745763372601575

minimum gb energy = 1.3500121851403817 eV
minimum distance =  2.60209881679375 Angstroms
sigma value = 29


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

Energy: 1.9006089064213767
Energy: -0.05297944315508003
Energy: -0.21805063688701568
Energy: -0.03641376368907669
Energy: 1.8872306026418113
Energy: 0.12173402602929954
Energy: -0.25016299714800355
Energy: 0.12515952017230658
Energy: 0.6106465950076062
Energy: 1.1281767400734923
Energy: 0.5331087527733297
Energy: 1.1433105215532446
Energy: 0.49082464798064257
Energy: 0.9372968035223276
Energy: -0.03568332201953026
Energy: 1.2386847699359744
Energy: 0.6668968365891139
Energy: 1.2335895763139715
Energy: 0.5748837968877125
Energy: 1.0384762173251776
Energy: -0.2342963218766508
Energy: 0.13278558353665756
Energy: -0.2696060815189512
Energy: 0.11200482273297895
Energy: -0.2829398865889576
Energy: -0.28932717126355734
Energy: -0.328578467271579
Energy: -0.29622336825604784
Energy: -0.23153279681611413
Energy: 0.12491698471539117
Energy: -0.2873396591663651
Energy: 0.08244412362506941
Energy: 1.7579365007372243
Energy: 0.12268729266388909
Energy: -0.3195391640568657
Energy: 0.10899898073379542

minimum gb energy = -0.328578467271579 eV
minimum distance =  2.69007708749442 Angstroms
sigma value = 5


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

Energy: 1.9407117254709247
Energy: 1.6916150448790699
Energy: 1.6609557711306056
Energy: 1.6916150448641207
Energy: 1.2673115882930235
Energy: 1.0841560681008353
Energy: 1.6538285583388517
Energy: 1.0841560681008353
Energy: 1.0974033030402404
Energy: 1.111673148577807
Energy: 1.5678489315450337
Energy: 1.1116731485748172
Energy: 1.093908966064513
Energy: 1.1015867444128384
Energy: 1.8586676651860088
Energy: 1.1015867444128384
Energy: 1.0563860020268934
Energy: 1.03228039979362
Energy: 1.7958508400556115
Energy: 1.0322803984198878
Energy: 1.3778689155081305
Energy: 1.3479023432249293
Energy: 1.8198297487139246
Energy: 1.34790234321297
Energy: 1.376590185150134
Energy: 1.3116021998350393
Energy: 1.8123200830584638
Energy: 1.31160321043004
Energy: 1.3727701260289202
Energy: 1.379270494131291
Energy: 1.8193870708407882
Energy: 1.3792704941302942
Energy: 1.3668240612818954
Energy: 1.3692481555677456
Energy: 1.4364862950704311
Energy: 1.369248155563759
Energy: 1.831600178081631
Energy: 1.491724415548737
Energy: 1.4344519791037698
Energy: 1.4917244129537082
Energy: 1.3602556398736363
Energy: 1.3746615742375308
Energy: 1.467855232804341
Energy: 1.3746615742395238
Energy: 1.5216225227972426
Energy: 1.2567880395497546
Energy: 1.901285859217221
Energy: 1.256788039194147
Energy: 1.3998529380906393
Energy: 1.4528626172533723
Energy: 1.959909431554101
Energy: 1.4528626172762942
Energy: 1.33453737023798
Energy: 1.3137338311248954
Energy: 1.3389771775904242
Energy: 1.313733823854919
Energy: 1.818880885343901
Energy: 1.3460312834955752
Energy: 1.371304436436066
Energy: 1.3460312835005581
Energy: 1.8174977916729547
Energy: 1.3794395179950116
Energy: 1.3745173253760186
Energy: 1.3794395179950116
Energy: 1.6494765977972898
Energy: 1.3688946500469326
Energy: 1.3699629630604755
Energy: 1.3688946500469326
Energy: 1.5601989749004537
Energy: 1.0264607514756041
Energy: 1.0318649635855273
Energy: 1.0264606194827945
Energy: 1.9541074526228173
Energy: 1.1268915951075769
Energy: 1.0970273826960355
Energy: 1.1268915951085734
Energy: 1.305208575319159
Energy: 1.1083532939285858
Energy: 1.0980760511033376
Energy: 1.1083532939365588
Energy: 1.5673532798997183
Energy: 1.263348500691667
Energy: 1.3719027114131315
Energy: 1.2633481041544583
Energy: 1.6559889828419756
Energy: 1.6674740320151087
Energy: 1.4416195357419828
Energy: 1.6674740320061392
Energy: 1.3438437844638427
Energy: 1.0774870323203758
Energy: 1.092556505841493
Energy: 1.0774870323133996
Energy: 1.1479783344260506
Energy: 1.1270430585495017
Energy: 1.1228422892339924
Energy: 1.1270430585624578
Energy: 1.5826100151658826
Energy: 1.0245394240182002
Energy: 1.14197665244085
Energy: 1.0245394902322733
Energy: 1.6372288173955747
Energy: 1.5065524418438228
Energy: 1.082114273482479
Energy: 1.5065524418448193
Energy: 1.6269023736428792
Energy: 1.5070861638076856
Energy: 1.61652988347926
Energy: 1.5070861638076856
Energy: 1.6414696368050838
Energy: 1.5173178177035964
Energy: 1.6208631649121625
Energy: 1.5173178177025999
Energy: 1.0005901351955393
Energy: 1.5014062414094427
Energy: 1.6363939360247253
Energy: 1.5014062414094427
Energy: 1.115923113282075
Energy: 1.0900654836317782
Energy: 1.880320068480104
Energy: 1.0900654828826923
Energy: 1.1671039716957117
Energy: 1.0875567913345363
Energy: 1.8442217225200597
Energy: 1.0875567527450964
Energy: 1.0015888151913535
Energy: 1.0851453173509416
Energy: 1.3416294461488774
Energy: 1.0851453173489485
Energy: 1.4215820211188726
Energy: 1.7169811999276796
Energy: 1.7248351217787323
Energy: 1.7169811872544625

minimum gb energy = 1.0005901351955393 eV
minimum distance =  2.58456860368127 Angstroms
sigma value = 1


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

Energy: 1.6880855745312808
Energy: 0.5410985911679098
Energy: 0.7076616041198277
Energy: -1.4788134852896637
Energy: -1.3969563503033768
Energy: 0.7184124519999486
Energy: 1.0654910896780698
Energy: 0.8189626349835827
Energy: 1.094273512451049
Energy: 1.1060224106068273
Energy: 1.438845071963033
Energy: 1.1060201981863471
Energy: 0.7665431570953507
Energy: 0.8868550869167422
Energy: -1.4463572648097063
Energy: 1.015774454975153
Energy: 1.033781080390846
Energy: -0.6328565908848428
Energy: 1.3500980671302971
Energy: -0.4650655152058115
Energy: 1.145456514334883
Energy: 0.8581389932386939
Energy: 1.5720287632412182
Energy: 1.0217137113474488
Energy: 0.9583945860486226
Energy: 0.8943336971450923
Energy: 1.3502272365968446
Energy: -0.5639955368607228
Energy: 0.8312062776522801
Energy: -0.6394672446618129
Energy: 1.2693825898520643
Energy: -0.507708946975377
Energy: 1.0956498969350148
Energy: 0.6278822026659743
Energy: 0.6546184658494117
Energy: 0.6411460832026126
Energy: 1.0680118638709022
Energy: 0.4496684193751773
Energy: 0.3311374809335009
Energy: 0.7463177993184661
Energy: 0.7964947221694658
Energy: 0.7276624910858771
Energy: 0.9389684172265665
Energy: 0.681535842605866
Energy: 0.9699718382104859
Energy: -0.5977891110675326
Energy: -1.4575526593676036
Energy: -0.4956207255261041
Energy: 0.8696180586040339
Energy: -0.4900801407872448
Energy: -1.4071827814303042
Energy: -0.43838757623528957
Energy: 1.0448277944664943
Energy: 0.4988249917023728
Energy: 0.5238718848155461
Energy: 0.5407894129209629
Energy: 1.3015150562609616
Energy: 0.8563283525793294
Energy: 0.9596847980009323
Energy: 1.019149664108657
Energy: -1.41458940809327
Energy: 1.1090309096506374
Energy: 0.9473294816497426
Energy: 1.011973202360594
Energy: 1.2432898709324955
Energy: -0.35661949633626727
Energy: 0.3363985120981034
Energy: -0.46166567432927536
Energy: 1.5130519012026524
Energy: 0.9743374738965778
Energy: -0.43680277018383223
Energy: 0.8365119061149597
Energy: 1.4594413990619366
Energy: 0.44717826608036454
Energy: 0.6858073562056202
Energy: 0.9891210435130092
Energy: 1.171492478206096
Energy: 0.3762685371517469
Energy: 0.9643525548693243
Energy: -0.49513751254137434
Energy: 0.7305115920455101
Energy: 0.5707978566837887
Energy: 0.37233912327313595
Energy: 0.5044183893743441
Energy: 0.8162301365766979
Energy: 0.612149918126642
Energy: 0.012584186707789973
Energy: 0.263263884724769
Energy: 1.0121308666826343
Energy: 0.46354835854404836
Energy: 0.8842942047127788
Energy: -0.16312951628890118
Energy: -1.3701401484367401
Energy: 0.5584043530875163
Energy: 0.9607837443427026
Energy: -0.5449741809135366

minimum gb energy = -1.4788134852896637 eV
minimum distance =  2.61751064001215 Angstroms
sigma value = 17


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

Energy: 1.4285704785831288
Energy: 1.6132572073751645
Energy: 1.7659460340644655
Energy: 1.613257207379423
Energy: 1.0467966688062869
Energy: 0.972765973638577
Energy: 1.3691435810066062
Energy: 0.9727659736138778
Energy: 0.9465075507905124
Energy: 1.0004138662947535
Energy: 1.5889463315172747
Energy: 1.0004138662947535
Energy: 0.9609767786091364
Energy: 0.9784131830132274
Energy: 1.5672564649343792
Energy: 0.9784131830098208
Energy: 0.9775021014569298
Energy: 0.9829294497918687
Energy: 1.5404999581844583
Energy: 0.9829294497927205
Energy: 1.503696937001948
Energy: 1.4364204866361279
Energy: 1.5430051661045572
Energy: 1.4364204866369794
Energy: 1.5395321668659205
Energy: 1.4357228638562758
Energy: 1.5399275425439358
Energy: 1.4357228638579793
Energy: 1.452894035040847
Energy: 1.4401141579686634
Energy: 1.5428547071139913
Energy: 1.4401141579686634
Energy: 1.5455219541209673
Energy: 0.9565882664798111
Energy: 0.9736199461823227
Energy: 0.9565882664798111
Energy: 1.436803275271403
Energy: 0.9562534468399007
Energy: 0.9785632887733563
Energy: 0.956253446850121
Energy: 1.3665175037683042
Energy: 1.00098379127133
Energy: 0.9705725371288221
Energy: 1.0009837912662198
Energy: 1.3746248880891585
Energy: 1.288283839999431
Energy: 1.3377963566579851
Energy: 1.2882838400028378
Energy: 1.6346703153746647
Energy: 1.627529616415873
Energy: 1.339112479072195
Energy: 1.6275296164150215
Energy: 1.372893228262831
Energy: 0.973242012690307
Energy: 0.9732979459799304
Energy: 0.9732420126877519
Energy: 1.5043109001643662
Energy: 0.9989506425779863
Energy: 1.0082241627437198
Energy: 0.9989506425796898
Energy: 1.4603377016166823
Energy: 0.9983279079355342
Energy: 0.9549839534396529
Energy: 0.9983279079363859
Energy: 1.3802475488606099
Energy: 1.3832567126512532
Energy: 0.9731774862496395
Energy: 1.3832567126538082
Energy: 1.3846217410569914
Energy: 1.3728253659056462
Energy: 1.6218873553029463
Energy: 1.3728253659039427
Energy: 1.370783247345327
Energy: 1.3744427484738297
Energy: 1.5753284304442943
Energy: 1.374442748475533
Energy: 1.1626654980765692
Energy: 1.5435757476164778
Energy: 1.424891959038667
Energy: 1.5435757476224394
Energy: 1.1901521238867077
Energy: 1.1293528116202165
Energy: 1.6270049222123066
Energy: 1.129352811590407
Energy: 1.1661144299230743
Energy: 1.2035846239559838
Energy: 1.6253943460860125
Energy: 1.2035846239551322
Energy: 1.181609172112816
Energy: 1.2078713410491106
Energy: 1.173132508710374
Energy: 1.2078713410482589
Energy: 1.326286663123821
Energy: 1.3931514201388193
Energy: 1.390810470349892
Energy: 1.393151420145633
Energy: 1.3721314382130325
Energy: 1.2035124877254029
Energy: 1.336720944359313
Energy: 1.2035124877254029
Energy: 1.1812892560452142
Energy: 1.1854973899025536
Energy: 1.1884988515794537
Energy: 1.1854973900328636
Energy: 1.5231141384128857
Energy: 1.437213849206367
Energy: 1.454312168188882
Energy: 1.437213849203812
Energy: 1.1501200808389127
Energy: 1.059094664102032
Energy: 1.2687295454275798
Energy: 1.059094664099477
Energy: 1.4980057340867672
Energy: 1.2064758803609474
Energy: 1.1875974404488931
Energy: 1.2064758803626507
Energy: 1.64373737008224
Energy: 1.2099329995046604
Energy: 1.192771832428323
Energy: 1.20993299949955
Energy: 1.6555987522870415
Energy: 1.2004518703651867
Energy: 1.189854315242245
Energy: 1.2004518703685934
Energy: 1.62136048064707
Energy: 1.3758315228354583
Energy: 1.3861082313250326
Energy: 1.3758315228371618
Energy: 1.6210239351400577
Energy: 1.3780408391847048
Energy: 1.353734543537473
Energy: 1.3780408391838532
Energy: 1.6023127257612346
Energy: 1.3739885542249377
Energy: 1.378069083714762
Energy: 1.3739885542257895
Energy: 0.9774659687443731
Energy: 0.9980948106887197
Energy: 1.377503885742786
Energy: 0.9980948106895715
Energy: 1.0458120721726258
Energy: 1.0503382363711653
Energy: 1.5340887948700508
Energy: 1.0503382363711653
Energy: 0.9704334860575475
Energy: 0.9952181292653283
Energy: 1.2861900980414247
Energy: 0.9952181292670317
Energy: 1.2157149227530566
Energy: 1.1649888325413744
Energy: 1.3750918571953732
Energy: 1.1649888325413744

minimum gb energy = 0.9465075507905124 eV
minimum distance =  2.63433717361836 Angstroms
sigma value = 89


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

Energy: 2.386755201734608
Energy: 0.6099258347977515
Energy: -0.01668451971313145
Energy: 0.6328089180591451
Energy: 0.0428747004981412
Energy: -0.141017341346348
Energy: -0.07244250545896933
Energy: 7.630927034610312e-05
Energy: -0.03487053520043418
Energy: -0.03415901523978029
Energy: 0.5028863899060474
Energy: -0.49664253684911286
Energy: -0.0008541154082723939
Energy: -0.1602830970044721
Energy: 0.8538838370840595
Energy: 0.22018124600775846
Energy: -0.12339674152630202
Energy: 0.09426016649919351
Energy: 0.3267634524504579
Energy: 0.18307789167579372
Energy: -0.08780102798475138
Energy: 0.23936835439642198
Energy: 0.7737080922698691
Energy: 0.2703962472508669
Energy: -0.12065286989667624
Energy: 0.35098352565528873
Energy: -0.2162907049795158
Energy: 0.307446444563197
Energy: 0.7469966760799684
Energy: 0.3659955552009838
Energy: -0.21198110844403836
Energy: 0.3968386985971759
Energy: 0.2360374908511027
Energy: -0.17438019004219374
Energy: -0.172768543682402
Energy: -0.0620367304167746
Energy: -0.01588608026720525
Energy: -0.23805308362199057
Energy: 0.07593106028083435
Energy: -0.010911441779424666
Energy: -0.06771100031442964
Energy: -0.0678588901139373
Energy: -0.18594670790778586
Energy: 0.12834134496306454
Energy: -0.05682190037165606
Energy: 0.29171131760202607
Energy: -0.25545104823551595
Energy: -0.03651051395800844
Energy: 0.003860747952131435
Energy: 0.11804768394754578
Energy: -0.3876219044657534
Energy: 0.06380304853224347
Energy: -0.07063923176540941
Energy: 0.539107549470462
Energy: 0.14952679689169004
Energy: 0.5543354531833609
Energy: -0.03623049194041375
Energy: 0.0946363375048144
Energy: 0.060521454634860035
Energy: -0.17663162917478342

minimum gb energy = -0.49664253684911286 eV
minimum distance =  2.65373475134784 Angstroms
sigma value = 13


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

Energy: 0.8066833810608157
Energy: 0.7412828357573771
Energy: 0.8387809152203589
Energy: 0.7412828357573771
Energy: 0.9529632883445374
Energy: 0.8298013155011787
Energy: 0.8142902838273406
Energy: 0.8298013155021128
Energy: 0.808379753951826
Energy: 0.8416661002440274
Energy: 0.7154440315501239
Energy: 0.8416661002449616
Energy: 0.7581023278690324
Energy: 0.8141531261925471
Energy: 0.6898644337881522
Energy: 0.8141531261934811
Energy: 0.8192285122188312
Energy: 1.1836001261744233
Energy: 1.142584320250435
Energy: 1.1836001261744233
Energy: 0.9403907082459613
Energy: 1.150715736441622
Energy: 1.1492914338218316
Energy: 1.1507157364304135
Energy: 0.9409637764204694
Energy: 1.1635115478677136
Energy: 1.1168850145071618
Energy: 1.1635115478789222
Energy: 1.306342821959867
Energy: 1.1939259654941463
Energy: 1.0747811043550828
Energy: 1.1939259654922783
Energy: 1.222513068816799
Energy: 1.1601688974145685
Energy: 1.1490245563883714
Energy: 1.1601688972736135
Energy: 0.9449579447014733
Energy: 1.1989184580092562
Energy: 1.0931971472221602
Energy: 1.1989184580111243
Energy: 0.8176266817207565
Energy: 1.1801057161479191
Energy: 1.1706143511300326
Energy: 1.180105716772536
Energy: 0.7657226750786192
Energy: 0.8140329243111877
Energy: 0.7848270834937544
Energy: 0.8140329242850772
Energy: 0.8177050223688879
Energy: 0.8280756630562208
Energy: 0.8062315995543468
Energy: 0.8280756630562208
Energy: 0.7157444530996222
Energy: 0.8361026791586773
Energy: 0.8054475457263768
Energy: 0.8361026791586773
Energy: 0.8642402953044277
Energy: 0.8186384534993568
Energy: 0.8194412969214627
Energy: 0.8186384534974888
Energy: 0.8820161398691341
Energy: 0.8263163328108832
Energy: 0.8058734791094935
Energy: 0.826316332809015
Energy: 0.7661903030253935
Energy: 0.8339656219386146
Energy: 0.809826743467142
Energy: 0.8339656219386146
Energy: 0.8398283564699989
Energy: 0.8220259222130896
Energy: 0.7684688676578971
Energy: 0.8220259222140236
Energy: 0.8241770002077148
Energy: 0.8461076086252731
Energy: 0.9499451851502551
Energy: 0.8461076086252731
Energy: 0.802876616761029
Energy: 0.8356892948126592
Energy: 0.804128191627385
Energy: 0.8356892948107911
Energy: 0.7207554070930401
Energy: 0.8293060990864124
Energy: 0.8285766159495801
Energy: 0.8293060990901485
Energy: 1.1618211449816
Energy: 0.8272636066700952
Energy: 0.8309962527622301
Energy: 0.8272636066691612
Energy: 1.1721733549541589
Energy: 1.1957940616798997
Energy: 0.9310978661710335
Energy: 1.1957940616798997
Energy: 1.1763086022140905
Energy: 1.1955805948325398
Energy: 1.2621212483958115
Energy: 1.1955805948325398
Energy: 1.1685651506221486
Energy: 1.118114544549795
Energy: 1.3024478253306129
Energy: 1.1181145445890248
Energy: 1.128893927023115
Energy: 1.1969206318474683
Energy: 1.3103324539291172
Energy: 1.1969206318493366
Energy: 1.174841348963129
Energy: 1.1963756343977534
Energy: 0.9497225663150722
Energy: 1.1963756344024237
Energy: 1.1553439485349768
Energy: 1.1945915891095653
Energy: 0.9405084074264224
Energy: 1.1945915891086312
Energy: 1.0729742354206642
Energy: 0.8459154899120179
Energy: 0.8091697560500419
Energy: 0.8459154899129521
Energy: 0.8344531681329821
Energy: 0.7697843190328543
Energy: 0.7718223775410231
Energy: 0.7697843186743535
Energy: 0.8012315688814338
Energy: 0.834033967423372
Energy: 0.803591431767258
Energy: 0.83403396742524
Energy: 0.8216115054014486
Energy: 0.8260312879314974
Energy: 0.8835660109704478
Energy: 0.8260312879342993
Energy: 0.8196567538934366
Energy: 0.8178948651407794
Energy: 0.8959966449658837
Energy: 0.8178948651435815
Energy: 0.7808647047693148
Energy: 0.7716375897079982
Energy: 0.7935428930371012
Energy: 0.7716375897079982
Energy: 1.0050215479143914
Energy: 0.8512368336356348
Energy: 0.813668290148726
Energy: 0.8512368336356348

minimum gb energy = 0.6898644337881522 eV
minimum distance =  2.63678131246309 Angstroms
sigma value = 37


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

Energy: 0.5064199588836661
Energy: 0.701865674622488
Energy: 1.2077528614356081
Energy: 0.7018654101602374
Energy: 0.9252472607217692
Energy: 0.9185592842110312
Energy: 0.8291052552577436
Energy: 0.91855877442523
Energy: 0.7094890684718499
Energy: 0.77952751832012
Energy: 0.42736955647607994
Energy: 0.5990831534839528
Energy: 0.7387589394175106
Energy: 0.9325900050962597
Energy: 0.522032694248261
Energy: 0.9325910749906038
Energy: 0.007642662749386775
Energy: 0.895958151663165
Energy: 0.6625437076976626
Energy: 0.24403786843739167
Energy: 0.13040262411718145
Energy: 0.17524402638310468
Energy: 0.7204479521778552
Energy: 0.6967732969376427
Energy: 0.8381455296102941
Energy: 0.5802365499408867
Energy: 0.6387397468383704
Energy: -0.00783483580946357
Energy: 0.40411488139637336
Energy: 0.1772189387342371
Energy: 0.7452241207504992
Energy: 0.11645032929190657
Energy: 0.20110144046461048
Energy: 1.033189216715597
Energy: 0.21160659283384692
Energy: 0.8041333063512621
Energy: 0.568832822732141
Energy: 0.6759794141526717
Energy: 0.23492197279830795
Energy: 0.9274876578799528
Energy: 0.5081987261151701
Energy: 0.5820440927897161
Energy: 0.5947317637557037
Energy: 0.7690385325135926
Energy: 0.7852396143478563
Energy: -0.08104727544397332
Energy: 0.44994374266008597
Energy: -0.2642935466305378
Energy: 0.7924072631682384
Energy: -0.0774159736463846
Energy: 0.23639345220947988
Energy: 0.12870662413854983
Energy: 0.8809198417068402
Energy: 0.9470187188815178
Energy: 0.8677239453151325
Energy: 0.2904951611352135
Energy: 0.6600554183807746
Energy: 0.3480077639517112
Energy: 0.7840718260335215
Energy: 0.7500637228123704
Energy: 0.9123254755784785
Energy: 0.9135815433300309
Energy: 0.9097824454023679
Energy: 0.9135815307738518
Energy: 0.3937716263035063
Energy: 0.32716850059233066
Energy: 0.787810068232124
Energy: 0.7278228344196561
Energy: 0.7446217734524239
Energy: 0.8534377538727848
Energy: 0.5027222301097815
Energy: 0.8534351508270296
Energy: 0.8970407851763157
Energy: 0.7871122242640813
Energy: 0.5580825939404056
Energy: 0.784485768131359
Energy: 0.844989039716208
Energy: 0.9217200215260118
Energy: 0.7922594432600657
Energy: 0.9217265180009931

minimum gb energy = -0.2642935466305378 eV
minimum distance =  2.59921480765819 Angstroms
sigma value = 25


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

Energy: 0.41185632636008246
Energy: 0.5534124541090759
Energy: 0.8635313603228475
Energy: 0.5534124541040566
Energy: 0.7195474883669447
Energy: 0.8547677512702054
Energy: 0.7026013144041038
Energy: 0.85476775127397
Energy: 0.6723749889395993
Energy: 0.7465959912612964
Energy: 0.7650719747629379
Energy: 0.7465959912612964
Energy: 0.7334790235154864
Energy: 0.7516996241290281
Energy: 0.5492576581404806
Energy: 0.7516996241290281
Energy: 0.8071886780253487
Energy: 0.836148223799144
Energy: 0.8343639749109699
Energy: 0.8361482185549924
Energy: 0.8528660145282632
Energy: 0.9276753627934362
Energy: 0.8330345930868828
Energy: 0.9276753627972008
Energy: 0.7502708686996926
Energy: 0.8650595423793683
Energy: 0.8758713220142842
Energy: 0.8650595425424406
Energy: 0.8951402881894327
Energy: 1.0268531281558304
Energy: 0.8428658778854979
Energy: 1.0268531281558304
Energy: 0.9584071253974438
Energy: 0.927507953901095
Energy: 1.012687782292988
Energy: 0.9274336914167
Energy: 0.782480295745372
Energy: 1.0297025225155978
Energy: 0.9832961214383904
Energy: 1.0297025225068137
Energy: 0.9848400100702673
Energy: 1.0547612693410604
Energy: 0.9744213183831275
Energy: 1.0547612693410604
Energy: 0.9644545334293281
Energy: 1.1031584946815016
Energy: 0.9182087913559217
Energy: 1.1031584946815016
Energy: 0.9345993308520216
Energy: 1.028021151588665
Energy: 0.9871520730829504
Energy: 1.0280211488581308
Energy: 0.9162093784791968
Energy: 0.9723886788918875
Energy: 0.7671552738330099
Energy: 0.9723886742422454
Energy: 0.6286352913207286
Energy: 1.004539981890839
Energy: 0.9582249266719711
Energy: 1.0045399804371056
Energy: 0.7599215239749948
Energy: 1.040637477164222
Energy: 0.9038843657794472
Energy: 1.040637477164222
Energy: 0.8734222938240082
Energy: 0.9013355432070483
Energy: 0.8712881577356828
Energy: 0.9013355432070483
Energy: 0.9000675332972102
Energy: 0.8652585343942842
Energy: 0.807098988325543
Energy: 0.8652585378761828
Energy: 0.8414940686951614
Energy: 0.8250241271611178
Energy: 0.8584837983455581
Energy: 0.8250241327162988
Energy: 0.8348022472813691
Energy: 0.84846292263926
Energy: 0.7451663088486368
Energy: 0.8484629226656117
Energy: 0.5779817654832115
Energy: 0.7176209498387665
Energy: 0.6742555027554864
Energy: 0.7176209498626085
Energy: 0.882813063552549
Energy: 0.6663348386370211
Energy: 0.7640812713517562
Energy: 0.6663348385968662
Energy: 0.8760652341882867
Energy: 0.8183913593950328
Energy: 0.7774392559121661
Energy: 0.8183912239235972
Energy: 0.7006527881803545
Energy: 0.7415882905886098
Energy: 0.42630423796859407
Energy: 0.7415882905886098
Energy: 0.7489121256318138
Energy: 0.743402726302937
Energy: 0.7074292827337575
Energy: 0.7434027262928983
Energy: 0.48461744071771623
Energy: 0.7192742918245185
Energy: 0.7573618971731766
Energy: 0.7192743168876287

minimum gb energy = 0.41185632636008246 eV
minimum distance =  2.58836343017588 Angstroms
sigma value = 41


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

Energy: 0.3699594479471076
Energy: 0.45187422689452833
Energy: 0.6572001769148929
Energy: 0.45187422689247086
Energy: 0.6333318882168167
Energy: 0.6493138102528706
Energy: 0.7486402701394941
Energy: 0.6493138103670166
Energy: 0.6069074876994204
Energy: 0.5810944877893934
Energy: 0.7405067363915917
Energy: 0.581094487791451
Energy: 0.6039796779699876
Energy: 0.6036879015787875
Energy: 0.49424891902871404
Energy: 0.6036879015787875
Energy: 0.746352450218332
Energy: 0.8754642293129188
Energy: 0.7158992073066276
Energy: 0.8754642293108613
Energy: 0.8648996694356916
Energy: 0.7835332308234678
Energy: 0.7431736876184803
Energy: 0.7835332308255253
Energy: 0.8669299315720497
Energy: 0.7905751048931274
Energy: 0.7565830703392689
Energy: 0.7905751048962137
Energy: 0.8274032932584667
Energy: 0.944684670849771
Energy: 0.8902390598635829
Energy: 0.9446846708487424
Energy: 0.8229430728044266
Energy: 0.9554761479308926
Energy: 0.8492906821758699
Energy: 0.9554761479298638
Energy: 0.8260859386582724
Energy: 0.9532201886686897
Energy: 0.9498421218687121
Energy: 0.9532201886697186
Energy: 0.9340193851123384
Energy: 1.014714883716547
Energy: 0.8886461456067731
Energy: 1.0147148837155182
Energy: 0.8129489810506246
Energy: 0.9981374247713902
Energy: 0.9315558957822866
Energy: 0.9981374247415561
Energy: 0.9539610193698957
Energy: 0.9971408083629165
Energy: 0.9463652355296506
Energy: 0.9971408083629165
Energy: 0.9519205072418293
Energy: 1.044655778381109
Energy: 0.9833029578795197
Energy: 1.0446557783790515
Energy: 0.9074597175357638
Energy: 1.033402852983034
Energy: 0.9400001191312126
Energy: 1.033402852978919
Energy: 0.9793820771667414
Energy: 1.0521729475310524
Energy: 0.9575672547639291
Energy: 1.0521729475279662
Energy: 1.0555337010691501
Energy: 1.0186665103807677
Energy: 0.9835345930307184
Energy: 1.0186665103859116
Energy: 0.8889991467960645
Energy: 1.008293718289087
Energy: 0.8041382406912415
Energy: 1.0082937182767417
Energy: 0.9327756202376756
Energy: 1.0199074097912282
Energy: 0.9317578814278785
Energy: 1.0199074097912282
Energy: 0.8678243491155714
Energy: 0.931889618110032
Energy: 0.9091391679100924
Energy: 0.9318896181110609
Energy: 0.7345947963557266
Energy: 0.8617777160894315
Energy: 0.8245279784654054
Energy: 0.8617777152370071
Energy: 0.8955263315180424
Energy: 0.9545489911901507
Energy: 0.768918299386583
Energy: 0.9545489911942656
Energy: 0.7441654512892758
Energy: 0.8552600726972671
Energy: 0.812664682711481
Energy: 0.8552600726941809
Energy: 0.7067571290704184
Energy: 0.7693194904961732
Energy: 0.6317844165869374
Energy: 0.7693194904992594
Energy: 0.7258534122287409
Energy: 0.7804078147823248
Energy: 0.8397226006726293
Energy: 0.7804078147196172
Energy: 0.7739394098018695
Energy: 0.5973224528026855
Energy: 0.5987801666501879
Energy: 0.5973224527975417
Energy: 0.6333476474091335
Energy: 0.6102146302280392
Energy: 0.5854636416555362
Energy: 0.6102146303483579
Energy: 0.74397062692882
Energy: 0.7783049858680123
Energy: 0.6051250498604382
Energy: 0.7783049858546384
Energy: 0.6116581896591572
Energy: 0.6054058781206063
Energy: 0.7039206157282202
Energy: 0.6054058781226639
Energy: 0.6011143774950561
Energy: 0.6069924934450454
Energy: 0.5274595007832011
Energy: 0.606992493447103
Energy: 0.5677618030221581
Energy: 0.5634877556541265
Energy: 0.6044568656557262
Energy: 0.5634877494359504
Energy: 0.49014180927662854
Energy: 0.6062366625870284
Energy: 0.5795202192818952
Energy: 0.606236662593201

minimum gb energy = 0.3699594479471076 eV
minimum distance =  2.61196999968276 Angstroms
sigma value = 15


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

Energy: 0.3750663830925825
Energy: 0.4760729068836163
Energy: 0.5333884401488055
Energy: 0.47607290688884535
Energy: 0.5116127874157753
Energy: 0.6874372440832093
Energy: 0.6608389069290944
Energy: 0.6874372440797233
Energy: 0.5079116057657678
Energy: 0.5940333704875351
Energy: 0.6384027201495562
Energy: 0.594033370485792
Energy: 0.5334441196582038
Energy: 0.4944079915240209
Energy: 0.4037016097479543
Energy: 0.49440799152489234
Energy: 0.7560222368678663
Energy: 0.8043290736500954
Energy: 0.6242809377709989
Energy: 0.8043290736483525
Energy: 0.7492841383319475
Energy: 0.7386031783669776
Energy: 0.652931375061868
Energy: 0.738603178369592
Energy: 0.7007545441100005
Energy: 0.7188700417835178
Energy: 0.637507220549905
Energy: 0.7188700418053054
Energy: 0.7448365223367194
Energy: 0.8324862190977731
Energy: 0.7714333268733917
Energy: 0.8324862190969016
Energy: 0.7462095015968203
Energy: 0.8529782939483247
Energy: 0.7489424069655359
Energy: 0.8529782939526823
Energy: 0.780413777968953
Energy: 0.8532274007435422
Energy: 0.8209698402417301
Energy: 0.8532274007461567
Energy: 0.8714273473107924
Energy: 0.895968309822376
Energy: 0.8187279510102127
Energy: 0.8959683098206329
Energy: 0.7492501228245394
Energy: 0.9237549477382654
Energy: 0.8600531233759338
Energy: 0.9237549477382654
Energy: 0.8646792029916752
Energy: 0.914422050133529
Energy: 0.9045972931598518
Energy: 0.914422050133529
Energy: 0.8924565362650184
Energy: 0.9469957739017647
Energy: 0.8867458926120582
Energy: 0.946995773897407
Energy: 0.9430106783007336
Energy: 0.9648531578940207
Energy: 0.8102948369988201
Energy: 0.9648531578948923
Energy: 0.9473377556760687
Energy: 0.9617766823564403
Energy: 0.9186178573813553
Energy: 0.9617766823503396
Energy: 0.9495774735341214
Energy: 0.9798525434297799
Energy: 0.9261751180566014
Energy: 0.9798525434289083
Energy: 0.9206583151580827
Energy: 1.0203439245516894
Energy: 0.9241982593987951
Energy: 1.0203439245726058
Energy: 0.9258949962027313
Energy: 0.9814063382071444
Energy: 0.9427241770483076
Energy: 0.9814063382097591
Energy: 0.9217150287792523
Energy: 0.9608252781113161
Energy: 0.9491890213535519
Energy: 0.9608252781148021
Energy: 0.838430430471497
Energy: 0.9660664137507494
Energy: 0.924850630661638
Energy: 0.966066413749878
Energy: 0.9009374622223224
Energy: 0.9564658746825172
Energy: 0.8891210102765572
Energy: 0.9564658746833888
Energy: 0.9044881517562365
Energy: 0.9135206040665306
Energy: 0.8659832106635267
Energy: 0.9135206040691451
Energy: 0.8812606658322851
Energy: 0.9247691411246823
Energy: 0.6915401108906388
Energy: 0.9247691411246823
Energy: 0.8304289415643192
Energy: 0.8971590310982567
Energy: 0.8083830203162969
Energy: 0.8971590310825697
Energy: 0.8012459406191428
Energy: 0.8511209494116707
Energy: 0.7834379195542516
Energy: 0.8511209494134137
Energy: 0.7604077857594042
Energy: 0.8542056998060956
Energy: 0.7553620137364369
Energy: 0.8542056998052241
Energy: 0.82336902583104
Energy: 0.8308401898813996
Energy: 0.7433871872592552
Energy: 0.8308401898752991
Energy: 0.6346005077587712
Energy: 0.7426343156382651
Energy: 0.7644808390430674
Energy: 0.7426343156426226
Energy: 0.6411141323223368
Energy: 0.7379919990428286
Energy: 0.69212869100175
Energy: 0.7379919990437002
Energy: 0.624061567038608
Energy: 0.7588764500404185
Energy: 0.7556135048332743
Energy: 0.7588764500378039
Energy: 0.45708751175706724
Energy: 0.6097309838005701
Energy: 0.5299021871011806
Energy: 0.6097309838040561
Energy: 0.6760312189709362
Energy: 0.5954999244980198
Energy: 0.5048122053095577
Energy: 0.5954999245015058
Energy: 0.6585731745271204
Energy: 0.7385964823814929
Energy: 0.49545845889318385
Energy: 0.7385964823797498
Energy: 0.5326654891158108
Energy: 0.5988056237487589
Energy: 0.2790909576944725
Energy: 0.5988056237452729
Energy: 0.5081113545884578
Energy: 0.5930520078801084
Energy: 0.5385034902907838
Energy: 0.5930520078783653
Energy: 0.5926202900343363
Energy: 0.5946087138755791
Energy: 0.5074564828713677
Energy: 0.5946087138694786

minimum gb energy = 0.2790909576944725 eV
minimum distance =  2.61425560270244 Angstroms
sigma value = 85


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

Energy: 0.30488633855042446
Energy: 0.27286107241789975
Energy: 0.5330416502730214
Energy: 0.2728610724579603
Energy: 0.40326810847590094
Energy: 0.5664687690183261
Energy: 0.5402031729704734
Energy: 0.5664687690236172
Energy: 0.40755161540703094
Energy: 0.412597934179378
Energy: 0.5343721922997194
Energy: 0.41259793417257523
Energy: 0.40854778940085157
Energy: 0.40582059705231455
Energy: 0.46017416944136147
Energy: 0.40582059705307033
Energy: 0.6275966437034107
Energy: 0.5895156040648771
Energy: 0.5388236238142826
Energy: 0.5895156040754592
Energy: 0.47831362005836864
Energy: 0.546232475855097
Energy: 0.543053072699976
Energy: 0.5462324758724818
Energy: 0.6069757748558777
Energy: 0.546759644831529
Energy: 0.5344482507236051
Energy: 0.5467596448179234
Energy: 0.6256229447294032
Energy: 0.7467507571888685
Energy: 0.7130319823485851
Energy: 0.746750757186601
Energy: 0.6242440699422912
Energy: 0.6802283499141482
Energy: 0.6574468725437059
Energy: 0.6802283499141482
Energy: 0.5751484295295209
Energy: 0.6558816764400568
Energy: 0.6434687685628507
Energy: 0.655881676439301
Energy: 0.6878715433835544
Energy: 0.7599038728067752
Energy: 0.687705423910029
Energy: 0.7599038728173572
Energy: 0.6464317894086381
Energy: 0.7454795958998424
Energy: 0.7341340467262065
Energy: 0.7454795958975746
Energy: 0.7048828874667836
Energy: 0.747726629718385
Energy: 0.693366366975061
Energy: 0.7477266297191408
Energy: 0.6341601956954767
Energy: 0.779332691842571
Energy: 0.7561935279591998
Energy: 0.7793326918418152
Energy: 0.7731566266519152
Energy: 0.76373342199316
Energy: 0.3015965275251171
Energy: 0.7637334219908924
Energy: 0.7411182043277325
Energy: 0.766461997354192
Energy: 0.7065452348740763
Energy: 0.7664619973557038
Energy: 0.7490424710725213
Energy: 0.8027168130261386
Energy: 0.6999792506068974
Energy: 0.8027168130268943
Energy: 0.7625873195478109
Energy: 0.7878616542252848
Energy: 0.777853281861242
Energy: 0.7878616542215056
Energy: 0.7087540261766206
Energy: 0.7957418967485307
Energy: 0.7777954358730161
Energy: 0.7957418967492864
Energy: 0.7065638313976602
Energy: 0.8003451871911724
Energy: 0.7725118308695519
Energy: 0.800345187188939
Energy: 0.7825001364344327
Energy: 0.8033884876120877
Energy: 0.7810418605937854
Energy: 0.8033884876120877
Energy: 0.7771460488922396
Energy: 0.8115911458006334
Energy: 0.7127499709686719
Energy: 0.8115911458006334
Energy: 0.7757657057100608
Energy: 0.7926719246094865
Energy: 0.7111113014510049
Energy: 0.7926719246102424
Energy: 0.7565545023977113
Energy: 0.791605597492403
Energy: 0.7464073366848801
Energy: 0.791605597492403
Energy: 0.702948015448508
Energy: 0.8127122385426966
Energy: 0.720579787967536
Energy: 0.8127122385442084
Energy: 0.6772679591496149
Energy: 0.7710407234964288
Energy: 0.7524794025645134
Energy: 0.7710407234971847
Energy: 0.7377998045031328
Energy: 0.7722322963520438
Energy: 0.7201715644101494
Energy: 0.7722322963550329
Energy: 0.6952798809650809
Energy: 0.796454663590647
Energy: 0.7088333193412661
Energy: 0.7964546635914029
Energy: 0.7321939139735112
Energy: 0.7418974831682732
Energy: 0.7137856927724225
Energy: 0.7418974831682732
Energy: 0.6152002206385736
Energy: 0.7436289488070689
Energy: 0.719984567184675
Energy: 0.7436289488063131
Energy: 0.6887772222075775
Energy: 0.6303213625297569
Energy: 0.708254832589452
Energy: 0.6303213625282451
Energy: 0.5684893665015293
Energy: 0.6864031618657186
Energy: 0.634317727396402
Energy: 0.6864031618657186
Energy: 0.6874809132814532
Energy: 0.6821903906647959
Energy: 0.6228550317196305
Energy: 0.6821903906655518
Energy: 0.694281601427245
Energy: 0.6367509994631817
Energy: 0.6027128350326724
Energy: 0.6367509994624259
Energy: 0.5426323881117624
Energy: 0.5373677026745203
Energy: 0.5151207697336084
Energy: 0.5373677026737643
Energy: 0.5435792445895735
Energy: 0.5778997417351807
Energy: 0.6201657598515689
Energy: 0.5778997417344247
Energy: 0.5244954745656412
Energy: 0.623510697910508
Energy: 0.6225285781816676
Energy: 0.623510697905217
Energy: 0.38141412634100375
Energy: 0.4124983636531912
Energy: 0.3996136400073733
Energy: 0.41249836435957676
Energy: 0.5198568132878294
Energy: 0.4149732601327899
Energy: 0.41607980447641824
Energy: 0.4149732601335458
Energy: 0.5435661911980805
Energy: 0.5617634819341631
Energy: 0.5117233434717154
Energy: 0.5617634819356748
Energy: 0.4078227717888709
Energy: 0.41778917752224853
Energy: 0.4982009184424687
Energy: 0.41778917752599354
Energy: 0.41224794205539167
Energy: 0.5072208749052455
Energy: 0.3828447754923522
Energy: 0.5072208754431773
Energy: 0.5309586107934698
Energy: 0.41286414126079996
Energy: 0.39484740324795775
Energy: 0.41286414125777654

minimum gb energy = 0.27286107241789975 eV
minimum distance =  2.59768160713597 Angstroms
sigma value = 113


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

Energy: 0.018237256129650662
Energy: 0.018682419188106647
Energy: 1.504583833158199
Energy: 0.018682419184717098
Energy: 0.008966719398554788
Energy: 0.23415689649781926
Energy: 0.009117998666722752
Energy: 0.23415689649781926
Energy: 0.005450792406594276
Energy: 0.241157239382034
Energy: 0.016595981159848096
Energy: 0.24115723937974207
Energy: 0.006256209303704103
Energy: 0.2520808946438158
Energy: 0.01888264020930971
Energy: 0.2520808946438158
Energy: 0.009676465514912995
Energy: 0.2279877016860253
Energy: 0.0033637267890270473
Energy: 0.22798770168431437
Energy: 0.01675589153723399
Energy: 0.2465952478799518
Energy: 0.008624846499253066
Energy: 0.2465952478799518

minimum gb energy = 0.0033637267890270473 eV
minimum distance =  2.70835637536814 Angstroms
sigma value = 1