Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001_Al__MO_049243498555_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.081654928624631
cohesive_energy=3.5802802150217286
mass=26.981538
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=[1.9605194599604399e-19, 2.6648202865004994e-19, 3.15763379735256e-19, 3.5697136276173596e-19, 3.9336160064977796e-19, 4.2421631826734995e-19, 4.49468224195824e-19, 4.70064204825894e-19, 4.87034459733222e-19, 5.01172066351638e-19, 5.130570126226499e-19, 5.2313470365051e-19, 5.31756016118064e-19, 5.39207739642798e-19, 5.457109746002039e-19, 5.51425938653682e-19, 5.564583754610759e-19, 5.60859554674674e-19, 5.64642293707548e-19, 5.6780659255969795e-19, 5.70323612051712e-19, 5.721372760014e-19, 5.732219495826179e-19, 5.735792349719999e-19, 5.73196314756474e-19, 5.71973853984732e-19, 5.698061089989299e-19, 5.665921426711259e-19, 5.62210189577136e-19, 5.56509645113364e-19, 5.49344711206116e-19, 5.405391484256519e-19, 5.29876662926382e-19, 5.1707847597399e-19, 5.0177448476602195e-19, 4.834519927795979e-19, 4.6141084882566e-19, 4.347089730434159e-19, 4.0213672207419596e-19, 3.62167221585798e-19, 3.1287465526415395e-19, 2.51748412323786e-19, 1.75411104420222e-19, 7.91989555895514e-20]
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: 2.2204e-16 eV

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

Energy: 0.010830839297438808
Energy: 0.011326228985318333
Energy: 0.23229775128840477
Energy: 0.011326228985810328
Energy: 0.011326228985810328
Energy: 0.27143856950934997
Energy: 0.011326228985318333
Energy: 0.27143856951224726
Energy: 0.23229775128791277
Energy: 0.011326228985318333
Energy: 0.010830839297438808
Energy: 0.011326228985318333
Energy: 0.011326228985810328
Energy: 0.27143856951273926
Energy: 0.011326228985318333
Energy: 0.27143856950888534

minimum gb energy = 0.010830839297438808 eV
minimum distance =  2.7840363217899 Angstroms
sigma value = 1


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

Energy: 0.5077215333400185
Energy: 0.38455641252657924
Energy: 0.4117017302931832
Energy: 0.3845564125277726
Energy: 0.37345693567697175
Energy: 0.4225102417264235
Energy: 0.37936951163784294
Energy: 0.4225102417234401
Energy: 0.4115762313932857
Energy: 0.4102094678960472
Energy: 0.5559316841867653
Energy: 0.4102094678978373
Energy: 0.38032264142184885
Energy: 0.3783494797421089
Energy: 0.3795683730044962
Energy: 0.3783494797421089
Energy: 0.4734803300473354
Energy: 0.37874043233518595
Energy: 0.3804986445477482
Energy: 0.3787404323333958
Energy: 0.3868098990640788
Energy: 0.4238166664781243
Energy: 0.3788033279843375
Energy: 0.4238166664781243
Energy: 0.3852184295286323
Energy: 0.38828000352051734
Energy: 0.47284493266605826
Energy: 0.38828000352051734
Energy: 0.38981223730833775
Energy: 0.4037494170409207
Energy: 0.40428405725840566
Energy: 0.403749417040324
Energy: 0.4151698539160111
Energy: 0.39769458989716855
Energy: 0.4007300986113042
Energy: 0.39769458989833484
Energy: 0.41294542878731105
Energy: 0.40232447235336594
Energy: 0.3959070571910688
Energy: 0.4023244723569461
Energy: 0.435088490460228
Energy: 0.3974702273031204
Energy: 0.4155722958709717
Energy: 0.3974702273037171
Energy: 0.38713280851616094
Energy: 0.3982088693395241
Energy: 0.4040898767757621
Energy: 0.3982088693401208
Energy: 0.3837026023444274
Energy: 0.38823317486519876
Energy: 0.3735833455992007
Energy: 0.3882331748640054
Energy: 0.3863821294045299
Energy: 0.3907601425424926
Energy: 0.3740906309952214
Energy: 0.3907601425412992
Energy: 0.37314927078820603
Energy: 0.3786917452822418
Energy: 0.3791901813691209
Energy: 0.3786917452816451
Energy: 0.3904859204663507
Energy: 0.37884322233966095
Energy: 0.37859879726926005
Energy: 0.3788432223390642
Energy: 0.410363981282
Energy: 0.4097037111776748
Energy: 0.38286875138675763
Energy: 0.4097037111758847
Energy: 0.37964038894018615
Energy: 0.3787616593605714
Energy: 0.3736037334398679
Energy: 0.378761659361168
Energy: 0.3786905108039564
Energy: 0.4094172718469113
Energy: 0.41032046423036933
Energy: 0.4094172718451212
Energy: 0.385826649053987
Energy: 0.37893399374777326
Energy: 0.3801742381272543
Energy: 0.3789339937453865
Energy: 0.3800709297987619
Energy: 0.3786045940469485
Energy: 0.4726880591355846
Energy: 0.3786045940457551
Energy: 0.3789364629335525
Energy: 0.37885170767825416
Energy: 0.3868321761336678
Energy: 0.3788517076794475
Energy: 0.47202204845522366
Energy: 0.3895324222847755
Energy: 0.38701568794224506
Energy: 0.38953242228417884
Energy: 0.4043657838276981
Energy: 0.3893369313067822
Energy: 0.3884138131905114
Energy: 0.3893369313073789
Energy: 0.4009451995142441
Energy: 0.39915044345866374
Energy: 0.41524131770534234
Energy: 0.39915044345866374
Energy: 0.39646579932535253
Energy: 0.39649846074135997
Energy: 0.41382604304517745
Energy: 0.3964984607419566
Energy: 0.41561437199020923
Energy: 0.39754984983750574
Energy: 0.3931657004388676
Energy: 0.39754984983750574
Energy: 0.4032116384081127
Energy: 0.39719085795186754
Energy: 0.3867151973943416
Energy: 0.39719085795127085
Energy: 0.37336744507263475
Energy: 0.3882364490256726
Energy: 0.38362588274509496
Energy: 0.3882364490274626
Energy: 0.37543054518690416
Energy: 0.3875440128671664
Energy: 0.387842985373381
Energy: 0.3875440128683597
Energy: 0.37876261708671805
Energy: 0.37881559342154897
Energy: 0.373286103598103
Energy: 0.3788155934209523
Energy: 0.378608724648968
Energy: 0.37866349514937175
Energy: 0.38910234396803384
Energy: 0.3786634951511618
Energy: 0.3827650958942371
Energy: 0.3807233638419854
Energy: 0.40993963518187665
Energy: 0.3807233638431788

minimum gb energy = 0.37314927078820603 eV
minimum distance =  2.49508427248527 Angstroms
sigma value = 1


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

Energy: 0.5820967369332481
Energy: 0.3920853971754186
Energy: 0.42431697756404796
Energy: 0.3920853971754186
Energy: 0.3835747598702158
Energy: 0.43295452607590434
Energy: 0.38646003353779274
Energy: 0.43295452607114204
Energy: 0.4229954896436827
Energy: 0.42176253398190905
Energy: 0.5322331747870546
Energy: 0.42176253398667135
Energy: 0.3892879060426487
Energy: 0.3865704017374798
Energy: 0.38654272438001225
Energy: 0.3865704017395208
Energy: 0.5314023878762364
Energy: 0.3872700856995127
Energy: 0.3873488065784605
Energy: 0.3872700857029143
Energy: 0.3990964878276459
Energy: 0.42322811607411565
Energy: 0.38679309128384426
Energy: 0.4232281160788779
Energy: 0.39896507604041637
Energy: 0.40068469417718383
Energy: 0.4469861968401098
Energy: 0.4006846941778641
Energy: 0.4017210761107202
Energy: 0.4026353048675744
Energy: 0.4168112657276473
Energy: 0.4026353048689351
Energy: 0.44767761369518416
Energy: 0.4107654444910695
Energy: 0.41355741084463454
Energy: 0.4107654444883482
Energy: 0.4167513246179183
Energy: 0.4132368766395238
Energy: 0.3986686699664218
Energy: 0.41323687664360575
Energy: 0.3835058309378849
Energy: 0.40043980683167696
Energy: 0.39929390781485324
Energy: 0.4004398068255849
Energy: 0.38371138117652304
Energy: 0.4011387604229524
Energy: 0.3989323122956304
Energy: 0.40113876041887037
Energy: 0.38779880695865987
Energy: 0.3866632293524821
Energy: 0.3845870529269396
Energy: 0.3866632293572444
Energy: 0.3867011408702418
Energy: 0.3869203709195593
Energy: 0.4001223480753044
Energy: 0.38692037092228054
Energy: 0.389470514279725
Energy: 0.42176732331806777
Energy: 0.4223512736279417
Energy: 0.42176732332351036
Energy: 0.38573729535856666
Energy: 0.3871837674149365
Energy: 0.3864111222434036
Energy: 0.3871837674142562
Energy: 0.42337357759105987
Energy: 0.4216197606028326
Energy: 0.3861369307321988
Energy: 0.42161976060147194
Energy: 0.38860997198310937
Energy: 0.38722495524916783
Energy: 0.39833840691810907
Energy: 0.3872249552457662
Energy: 0.38602193433448295
Energy: 0.38709736540387485
Energy: 0.38942287322721253
Energy: 0.3870973654059159
Energy: 0.40735153988525447
Energy: 0.3872493441748698
Energy: 0.3873478098011141
Energy: 0.38724934417214846
Energy: 0.4001007953192268
Energy: 0.4028096964317806
Energy: 0.4468423726130126
Energy: 0.4028096964311004
Energy: 0.4000380850196578
Energy: 0.403556247207299
Energy: 0.41700180244510376
Energy: 0.40355624720933997
Energy: 0.4477414917578138
Energy: 0.4116974102681773
Energy: 0.41381695692958653
Energy: 0.4116974102661363
Energy: 0.4163555938953744
Energy: 0.41213972686553
Energy: 0.3983867263840113
Energy: 0.412139726867571
Energy: 0.3848839438415947
Energy: 0.4004261963520789
Energy: 0.3992549090358693
Energy: 0.4004261963520789
Energy: 0.38313441249089886
Energy: 0.4013983543563858
Energy: 0.3997055415126056
Energy: 0.4013983543509431
Energy: 0.38721640498344584
Energy: 0.3867919905887629
Energy: 0.38414542965951004
Energy: 0.38679199058263997
Energy: 0.38637869694617777
Energy: 0.38697869574943144
Energy: 0.3898624067735621
Energy: 0.38697869574943144
Energy: 0.38977247778216656
Energy: 0.38871902789848845
Energy: 0.4219001006190883
Energy: 0.3887190279052917

minimum gb energy = 0.38313441249089886 eV
minimum distance =  2.48718921562028 Angstroms
sigma value = 25


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

Energy: 0.5524055734580594
Energy: 0.39771079503821344
Energy: 0.4358550563754071
Energy: 0.39771079503821344
Energy: 0.3965785453314943
Energy: 0.44111407638550704
Energy: 0.39450258282474016
Energy: 0.4411140763862979
Energy: 0.4360614791464521
Energy: 0.4345792985807935
Energy: 0.4994050581244601
Energy: 0.4345792985807935
Energy: 0.39769146755147056
Energy: 0.39539706659347207
Energy: 0.39448791135303163
Energy: 0.39539706659584467
Energy: 0.3942500679926335
Energy: 0.39503722676387454
Energy: 0.39607912508596305
Energy: 0.3950372267646654
Energy: 0.41416681713477316
Energy: 0.4353137965277951
Energy: 0.39512684969345274
Energy: 0.43531379652700425
Energy: 0.4198164191665644
Energy: 0.4186413236214044
Energy: 0.42030971000114914
Energy: 0.41864132362061346
Energy: 0.4161807753054813
Energy: 0.42117027537823604
Energy: 0.4015536035011001
Energy: 0.42117027537665425
Energy: 0.4209595429075922
Energy: 0.41849002226100757
Energy: 0.44570151102640926
Energy: 0.41849002226100757
Energy: 0.41457091000317475
Energy: 0.4202424459076344
Energy: 0.3957290455287459
Energy: 0.4202424459076344
Energy: 0.39513319955913645
Energy: 0.39534544250274317
Energy: 0.39479767190916204
Energy: 0.39534544250353404
Energy: 0.3942628115768703
Energy: 0.3950142365282838
Energy: 0.3955762093170635
Energy: 0.3950142365282838
Energy: 0.4336138346170309
Energy: 0.43323645893413465
Energy: 0.3952167008000328
Energy: 0.4332364589349255
Energy: 0.3950386359768738
Energy: 0.3952547547691924
Energy: 0.3976066436521778
Energy: 0.3952547547691924
Energy: 0.39384287112643146
Energy: 0.43383167058485733
Energy: 0.4366147269112309
Energy: 0.43383167058643907
Energy: 0.41223305639816493
Energy: 0.39533867255137806
Energy: 0.3978960643735311
Energy: 0.3953386725529598
Energy: 0.39480491106197724
Energy: 0.39525976268907986
Energy: 0.39399039239770633
Energy: 0.39525976268828905
Energy: 0.39534194618200613
Energy: 0.395166568806623
Energy: 0.414079052186501
Energy: 0.39516656880741385
Energy: 0.41997734476610826
Energy: 0.4218737778732332
Energy: 0.4138029426188312
Energy: 0.4218737778740241
Energy: 0.4015804901271097
Energy: 0.42172760041494395
Energy: 0.413404970485224
Energy: 0.42172760041494395
Energy: 0.39679037034829323
Energy: 0.41853655627558956
Energy: 0.4207415539332309
Energy: 0.4185365562747987
Energy: 0.3951000381799616
Energy: 0.41940392520812964
Energy: 0.41671615292647557
Energy: 0.41940392520733877
Energy: 0.3955492304289794
Energy: 0.39480089911546895
Energy: 0.39482524963112337
Energy: 0.39480089911467814
Energy: 0.39541494401624316
Energy: 0.39490904412237315
Energy: 0.3943183233931897
Energy: 0.3949090441239549
Energy: 0.3943384600553267
Energy: 0.3978424681999461
Energy: 0.4331822890306469
Energy: 0.3978424681999461

minimum gb energy = 0.39384287112643146 eV
minimum distance =  2.48447046357645 Angstroms
sigma value = 9


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

Energy: 0.5089418371666791
Energy: 0.3992604373620746
Energy: 0.44704924211786234
Energy: 0.3992604373592657
Energy: 0.4220590994023239
Energy: 0.44559395621580394
Energy: 0.42043266136034263
Energy: 0.44559395621580394
Energy: 0.4470101586720436
Energy: 0.44492838959370296
Energy: 0.44576854774055624
Energy: 0.44492838959370296
Energy: 0.4094035849553073
Energy: 0.40395004135142276
Energy: 0.42115729641892685
Energy: 0.4039500413504793
Energy: 0.45968336644960145
Energy: 0.4043500930211341
Energy: 0.40650460078091694
Energy: 0.4043500930220776
Energy: 0.40943660491719047
Energy: 0.40589260444863023
Energy: 0.40433694094630407
Energy: 0.40589260444863023
Energy: 0.4144576162414554
Energy: 0.43793144501108017
Energy: 0.404592268298139
Energy: 0.4379314450091933
Energy: 0.4047439529605696
Energy: 0.43999176367382986
Energy: 0.44612338644414046
Energy: 0.43999176367288645
Energy: 0.4043181844480628
Energy: 0.4045655573992708
Energy: 0.39446652973052243
Energy: 0.4045655574021011
Energy: 0.40424512928356837
Energy: 0.4052193710571875
Energy: 0.39432060742228325
Energy: 0.405219371058131
Energy: 0.3933589527599374
Energy: 0.44355550295984303
Energy: 0.4439319049402309
Energy: 0.4435555029626734
Energy: 0.4220813832150109
Energy: 0.40437869535912435
Energy: 0.40406499008587
Energy: 0.40437869535912435
Energy: 0.4485048006269875
Energy: 0.44422703202195635
Energy: 0.44570680803624235
Energy: 0.44422703202006947
Energy: 0.4102216554652018
Energy: 0.404292119888366
Energy: 0.40705023442422356
Energy: 0.404292119889288
Energy: 0.4034268307850593
Energy: 0.40410779113110035
Energy: 0.40447447915815526
Energy: 0.40410779113487416
Energy: 0.40901400300829555
Energy: 0.40458817031832
Energy: 0.4055399907743211
Energy: 0.4045881703154896
Energy: 0.41948499556230223
Energy: 0.4385125622981562
Energy: 0.40589497845501926
Energy: 0.438512562295326
Energy: 0.42119627847346436
Energy: 0.4381341462791031
Energy: 0.4044875065748529
Energy: 0.4381341462772162
Energy: 0.4036473907303889
Energy: 0.4046785274188061
Energy: 0.3945933539994506
Energy: 0.4046785274159758
Energy: 0.4039944140870221
Energy: 0.4042674122229932
Energy: 0.3944800817214077
Energy: 0.4042674122229932
Energy: 0.39405798395263913
Energy: 0.40910419983078383
Energy: 0.4434839111371351
Energy: 0.4091041998326707

minimum gb energy = 0.3933589527599374 eV
minimum distance =  2.48450257194312 Angstroms
sigma value = 25


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

Energy: 0.4537227635020696
Energy: 0.3978175642692645
Energy: 0.4573561837255443
Energy: 0.39781756427043125
Energy: 0.39259766006601216
Energy: 0.43178177374159377
Energy: 0.4073769660327974
Energy: 0.43178177374159377
Energy: 0.4562161137015053
Energy: 0.4543832847200214
Energy: 0.4844219886193064
Energy: 0.4543832847200214
Energy: 0.3947574615273918
Energy: 0.4316308340196152
Energy: 0.4072637859554665
Energy: 0.4316308340184485
Energy: 0.42255613335016784
Energy: 0.42796678598963317
Energy: 0.40814969276309654
Energy: 0.4279667859919667
Energy: 0.3943772633331572
Energy: 0.4285682260306404
Energy: 0.4071864952184566
Energy: 0.42856822603297395
Energy: 0.4546623254627081
Energy: 0.4278488259627679
Energy: 0.4243147566999505
Energy: 0.4278488259616011
Energy: 0.39157803727743007
Energy: 0.43075515457720037
Energy: 0.4091093480806684
Energy: 0.4307551545783671
Energy: 0.4540060480378838
Energy: 0.45304243542024086
Energy: 0.5115681078021543
Energy: 0.45304243542024086
Energy: 0.4578164413619173
Energy: 0.4305825873706565
Energy: 0.3917877531791477
Energy: 0.43058258736948973
Energy: 0.48433313911136444
Energy: 0.4537178484378176
Energy: 0.45911213170750825
Energy: 0.4537178484378176
Energy: 0.3934399785710761
Energy: 0.4328388047955325
Energy: 0.45348157082726204
Energy: 0.43283880479669923
Energy: 0.40803970917927807
Energy: 0.44125465622150417
Energy: 0.4225728415638236
Energy: 0.44125465622150417
Energy: 0.40777128975982274
Energy: 0.4280687564735101
Energy: 0.3955836671551942
Energy: 0.4280687564735101
Energy: 0.42389799186902377
Energy: 0.42912921540799676
Energy: 0.39128060832060374
Energy: 0.42912921540682997
Energy: 0.4078612413214671
Energy: 0.42759333369063196
Energy: 0.39144986579738195
Energy: 0.42759333368946517
Energy: 0.5112332322366748
Energy: 0.396475590073212
Energy: 0.45250178710326994
Energy: 0.39647559007437877

minimum gb energy = 0.39128060832060374 eV
minimum distance =  2.58371704785792 Angstroms
sigma value = 17


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

Energy: 0.6365115261301146
Energy: 0.46020819463454954
Energy: 0.4984790120635705
Energy: 0.46020819463322793
Energy: 0.40374743221780385
Energy: 0.4224828797878871
Energy: 0.47070672710110695
Energy: 0.4224828797878871
Energy: 0.43257501945408067
Energy: 0.42845729244362024
Energy: 0.49957516607453883
Energy: 0.42845729244295944
Energy: 0.4292552171171863
Energy: 0.45272554320509617
Energy: 0.42885219935863306
Energy: 0.45272554320311387
Energy: 0.4811030085143958
Energy: 0.4631828655743696
Energy: 0.440904065537876
Energy: 0.4631828655743696
Energy: 0.4296433971800728
Energy: 0.46433516489558935
Energy: 0.429314718533431
Energy: 0.4643351648942678
Energy: 0.45168488497934717
Energy: 0.4287607449826426
Energy: 0.4306020128679915
Energy: 0.42876074498396416
Energy: 0.4530742521408874
Energy: 0.42928409275569523
Energy: 0.45471709234886776
Energy: 0.42928409275635604
Energy: 0.5007481847945834
Energy: 0.49419361117799465
Energy: 0.4976873068256706
Energy: 0.49419361117733385
Energy: 0.4936011881365283
Energy: 0.4614105327338871
Energy: 0.429037088723197
Energy: 0.46141053273520866
Energy: 0.4797427955103632
Energy: 0.4220805822913375
Energy: 0.41519536249956246
Energy: 0.4220805822893551
Energy: 0.4550014453754097
Energy: 0.4218454291713027
Energy: 0.4228068962291004
Energy: 0.42184542917064194
Energy: 0.4517855372174624
Energy: 0.4213704534742018
Energy: 0.4223157866097955
Energy: 0.4213704534755233
Energy: 0.4525345392446244
Energy: 0.42190639203079383
Energy: 0.41535630404039486
Energy: 0.42190639202881147
Energy: 0.4937772149854218
Energy: 0.45468590733633707
Energy: 0.4543587376629276
Energy: 0.45468590733567626
Energy: 0.5026359164646974
Energy: 0.4531320200230551
Energy: 0.5354910778807126
Energy: 0.45313202002503744
Energy: 0.4963357685290198
Energy: 0.42900834971816176
Energy: 0.4280531909205745
Energy: 0.429008349717501
Energy: 0.4944948092271868
Energy: 0.4288279746838876
Energy: 0.4291530257222292
Energy: 0.42882797468322686
Energy: 0.4289673391156336
Energy: 0.4634720199426472
Energy: 0.4295151980513513
Energy: 0.463472019943308
Energy: 0.438079677991462
Energy: 0.4644244954139857
Energy: 0.428683124101905
Energy: 0.4644244954139857
Energy: 0.4299912050562866
Energy: 0.42412398367205395
Energy: 0.4530493805219466
Energy: 0.4241239836733755
Energy: 0.429229457936992
Energy: 0.42945915090921905
Energy: 0.5202407979619
Energy: 0.4294591509098798
Energy: 0.4275058808342508
Energy: 0.4501536215565023
Energy: 0.47011227370528635
Energy: 0.45015362155584154
Energy: 0.4975032291955612
Energy: 0.4947911852903828
Energy: 0.4953731192402937
Energy: 0.49479118528972194
Energy: 0.42320467080977187
Energy: 0.4223466606597249
Energy: 0.45485085253087004
Energy: 0.42234666065840326
Energy: 0.4223763236039616
Energy: 0.42182323351803735
Energy: 0.4560775684483926
Energy: 0.4218232335173765
Energy: 0.4149100204462443
Energy: 0.425191721301705
Energy: 0.4537630497759254
Energy: 0.4251917213010442
Energy: 0.42545932489353994
Energy: 0.42198582628337455
Energy: 0.5181634080832738
Energy: 0.42198582628139214
Energy: 0.4219775870398978
Energy: 0.42230486653674615
Energy: 0.45401211961958415
Energy: 0.42230486653608534
Energy: 0.5354835684751121
Energy: 0.4946245884136276
Energy: 0.49620166248886116
Energy: 0.4946245884149491

minimum gb energy = 0.40374743221780385 eV
minimum distance =  2.57642711683773 Angstroms
sigma value = 53


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

Energy: 0.5763734878172364
Energy: 0.38057964705232905
Energy: 0.45507572733347784
Energy: 0.38057964705232905
Energy: 0.5163839109728947
Energy: 0.40675107265276905
Energy: 0.4475827399974478
Energy: 0.4067510726512477
Energy: 0.4527485234067697
Energy: 0.4472320360479896
Energy: 0.4571358542149515
Energy: 0.4472320360464684
Energy: 0.44774333588367393
Energy: 0.40769988120396156
Energy: 0.45414407785106714
Energy: 0.40769988120091905
Energy: 0.4546524465138859
Energy: 0.40700497236694433
Energy: 0.3711507018660028
Energy: 0.40700497236694433
Energy: 0.4533050796846053
Energy: 0.40773558604491233
Energy: 0.37099457772179945
Energy: 0.40773558604342564
Energy: 0.5171835414263819
Energy: 0.44584816181508397
Energy: 0.44737379020276136
Energy: 0.4458481618166053
Energy: 0.5162150583200781
Energy: 0.4084796763772351
Energy: 0.44535479917516785
Energy: 0.4084796763757138
Energy: 0.4461197934135056
Energy: 0.44632947575735094
Energy: 0.4568840672300487
Energy: 0.44632947575887216
Energy: 0.4458234783889498
Energy: 0.40785952940960785
Energy: 0.44855201168773073
Energy: 0.40785952941112913
Energy: 0.4511429943984789
Energy: 0.410049549967924
Energy: 0.3807384314723148
Energy: 0.4100495499648816
Energy: 0.447650932505566
Energy: 0.40682457522347804
Energy: 0.3728677101437037
Energy: 0.4068245752265206
Energy: 0.5156862490348647
Energy: 0.40804947907577405
Energy: 0.44505009888301034
Energy: 0.40804947907577405

minimum gb energy = 0.37099457772179945 eV
minimum distance =  2.5700595737615 Angstroms
sigma value = 9


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

Energy: 0.5704544812120321
Energy: 0.4757085018859384
Energy: 0.5178707230712142
Energy: 0.4757085018881906
Energy: 0.4789470664706879
Energy: 0.42037993325374445
Energy: 0.5142559563789522
Energy: 0.42037993325374445
Energy: 0.42454909617229436
Energy: 0.42092652496104765
Energy: 0.5277532812469865
Energy: 0.4209265249621737
Energy: 0.4220413965846567
Energy: 0.41986703565605377
Energy: 0.5426564668486534
Energy: 0.4198670356554907
Energy: 0.42112272804293627
Energy: 0.420029668155984
Energy: 0.5406638702842402
Energy: 0.420029668155984
Energy: 0.4199569806816806
Energy: 0.4192153748142582
Energy: 0.5401682746539404
Energy: 0.4192153748159473
Energy: 0.5465970554049435
Energy: 0.5039679651017279
Energy: 0.5138157915084649
Energy: 0.503967965102854
Energy: 0.5135625514975876
Energy: 0.47478680277782775
Energy: 0.5035978627358563
Energy: 0.47478680278064295
Energy: 0.444202923932608
Energy: 0.47295969502293994
Energy: 0.45244129380062503
Energy: 0.47295969502125085
Energy: 0.41829860968344257
Energy: 0.45520268387257995
Energy: 0.5048265491850714
Energy: 0.455202683873706
Energy: 0.44269535859936937
Energy: 0.4679820117280972
Energy: 0.465918291385647
Energy: 0.4679820117280972
Energy: 0.44886906598601417
Energy: 0.47257267329484903
Energy: 0.5401689216552182
Energy: 0.47257267329315983
Energy: 0.5178005700339259
Energy: 0.4466550757021221
Energy: 0.4518607382787897
Energy: 0.4466550757004329
Energy: 0.5528009403721679
Energy: 0.44352040719859254
Energy: 0.44543611482026646
Energy: 0.4435204071980295
Energy: 0.5026929718346292
Energy: 0.4692618206346946
Energy: 0.4492096653360098
Energy: 0.4692618206363838
Energy: 0.48515798036601965
Energy: 0.4683906961882425
Energy: 0.4492840853827482
Energy: 0.4683906961888055
Energy: 0.5047635473262091
Energy: 0.41963510154250566
Energy: 0.44417349826057423
Energy: 0.4196351015413796
Energy: 0.5033532412614294
Energy: 0.5041973744844256
Energy: 0.5702453767763495
Energy: 0.5041973744827364
Energy: 0.5147989132192725
Energy: 0.4208886975641652
Energy: 0.42139366063625106
Energy: 0.4208886975658543
Energy: 0.5280217363800344
Energy: 0.4215576731543865
Energy: 0.41942124704652306
Energy: 0.42155767315776477
Energy: 0.5434415817491689
Energy: 0.4195158577148652
Energy: 0.42034202624498757
Energy: 0.41951585771373906
Energy: 0.5402764514349059
Energy: 0.4195278805560535
Energy: 0.4200880784714742
Energy: 0.4195278805560535
Energy: 0.5406943302342251
Energy: 0.4197531504967755
Energy: 0.41973496250130515
Energy: 0.4197531504990276
Energy: 0.5152787015262063
Energy: 0.5038316312353495
Energy: 0.5348375102881153
Energy: 0.5038316312330974
Energy: 0.5038307877801451
Energy: 0.4691396349094654
Energy: 0.518223401391616
Energy: 0.46913963491002847
Energy: 0.4532154125064942
Energy: 0.4977622802813079
Energy: 0.44343889345732324
Energy: 0.4977622802762406
Energy: 0.5062334258196561
Energy: 0.46460716219137743
Energy: 0.4179567613179331
Energy: 0.4646071621908143
Energy: 0.4657444597694386
Energy: 0.4471991512481128
Energy: 0.44338573974797474
Energy: 0.4471991512458606
Energy: 0.5697439975420555
Energy: 0.4525062312924718
Energy: 0.44229560945150326
Energy: 0.45250623129134576
Energy: 0.45189518652019284
Energy: 0.4458533222175867
Energy: 0.5126358525936391
Energy: 0.4458533222164606
Energy: 0.4450319057028991
Energy: 0.4436646660707778
Energy: 0.5186114143723536
Energy: 0.44366466607134086
Energy: 0.4483745855287617
Energy: 0.4688444641613168
Energy: 0.50280150644895
Energy: 0.46884446416075376
Energy: 0.4552963803220866
Energy: 0.4675503375096961
Energy: 0.48566722766950143
Energy: 0.46755033751133407
Energy: 0.4436139802335652
Energy: 0.42001360241744173
Energy: 0.46928634632882915
Energy: 0.42001360241913094
Energy: 0.5691361041576402
Energy: 0.5039487855340083
Energy: 0.5078139367266106
Energy: 0.5039487855340083

minimum gb energy = 0.4179567613179331 eV
minimum distance =  2.57016929502338 Angstroms
sigma value = 73


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

Energy: 0.6102960505770498
Energy: 0.45818546071565863
Energy: 0.5009415623615422
Energy: 0.458185460716552
Energy: 0.42051965846704825
Energy: 0.4297185306155705
Energy: 0.4813732382066125
Energy: 0.4297185306155705
Energy: 0.4297332719453922
Energy: 0.430770547832272
Energy: 0.509114245428598
Energy: 0.43077054783316526
Energy: 0.4292637938524647
Energy: 0.43007622742999385
Energy: 0.5340582021304502
Energy: 0.43007622743267376
Energy: 0.43237949974049145
Energy: 0.43045103692581754
Energy: 0.5278936350129249
Energy: 0.43045103692760417
Energy: 0.4561784108106045
Energy: 0.43077687237317264
Energy: 0.5321389942063383
Energy: 0.430776872371386
Energy: 0.475918598459256
Energy: 0.4936043931406481
Energy: 0.5069170561944194
Energy: 0.4936043931397548
Energy: 0.4738426461147119
Energy: 0.47638416466864064
Energy: 0.49232082849579273
Energy: 0.47638416466864064
Energy: 0.4608929103780256
Energy: 0.4556722493620142
Energy: 0.5090875298632604
Energy: 0.4556722493655874
Energy: 0.44833199301151017
Energy: 0.43126072230355966
Energy: 0.49404202307540723
Energy: 0.431260722304453
Energy: 0.45078126219857256
Energy: 0.4174671916046722
Energy: 0.4702421990326535
Energy: 0.4174671916064588
Energy: 0.4474114661851321
Energy: 0.4190595130060608
Energy: 0.5367763431852773
Energy: 0.41905951300427413
Energy: 0.497262220746924
Energy: 0.4565285144021189
Energy: 0.44055441940188805
Energy: 0.4565285144021189
Energy: 0.5057232153979793
Energy: 0.4185771472812836
Energy: 0.45077078025532236
Energy: 0.4185771472812836
Energy: 0.5031981529986764
Energy: 0.4252535650126896
Energy: 0.4400906327218819
Energy: 0.42525356501179634
Energy: 0.528274911766794
Energy: 0.4421895899450251
Energy: 0.4396724168469022
Energy: 0.44218958994591845
Energy: 0.5306594716958248
Energy: 0.47107314546321993
Energy: 0.450682232033376
Energy: 0.4710731454641133
Energy: 0.4980426068182887
Energy: 0.4835913020684856
Energy: 0.47577965349344753
Energy: 0.48359130206937895
Energy: 0.48362385878535297
Energy: 0.46673445295986477
Energy: 0.4767503746428647
Energy: 0.46673445295986477
Energy: 0.4904211487022791
Energy: 0.46947784687600497
Energy: 0.4899727915532347
Energy: 0.46947784687332506
Energy: 0.48374819424673154
Energy: 0.4678369877540566
Energy: 0.45018286302687444
Energy: 0.46783698775226995
Energy: 0.527266942300883
Energy: 0.4806317237892949
Energy: 0.48257947428243647
Energy: 0.4806317237901882

minimum gb energy = 0.4174671916046722 eV
minimum distance =  2.56255341812134 Angstroms
sigma value = 7


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

Energy: 0.7195141318712994
Energy: 0.43811768845757054
Energy: 0.5094180908207909
Energy: 0.4381176884506222
Energy: 0.4741080257863084
Energy: 0.4313134873720512
Energy: 0.5297409210191769
Energy: 0.43131348737584124
Energy: 0.4386005904755969
Energy: 0.43772141251329594
Energy: 0.48021244793439855
Energy: 0.437721412515191
Energy: 0.4330497913163323
Energy: 0.4327026102135327
Energy: 0.5260758086556466
Energy: 0.4327026102211127
Energy: 0.4357825426143609
Energy: 0.4333251149561556
Energy: 0.5203676455590398
Energy: 0.4333251149542607
Energy: 0.4775808968934549
Energy: 0.4336508165004957
Energy: 0.519355443726606
Energy: 0.4336508164973374
Energy: 0.5201725187241681
Energy: 0.43455514291893843
Energy: 0.4315634582948852
Energy: 0.4345551429246235
Energy: 0.515582799161037
Energy: 0.4329341704584164
Energy: 0.43351702405715636
Energy: 0.43293417046599647
Energy: 0.5290680152361449
Energy: 0.43096793023875035
Energy: 0.43133231755085805
Energy: 0.430967930239382
Energy: 0.5235010010646204
Energy: 0.4348835830425748
Energy: 0.4347880995345341
Energy: 0.4348835830356264
Energy: 0.5273861948867513
Energy: 0.4681454864116945
Energy: 0.47090695352872713
Energy: 0.4681454864079045
Energy: 0.4849390365689358
Energy: 0.4816086292069002
Energy: 0.5216614986163186
Energy: 0.4816086291993489
Energy: 0.4824831882525855
Energy: 0.46717651118962233
Energy: 0.48394804529177965
Energy: 0.4671765111877273
Energy: 0.480753717134679
Energy: 0.4669280359658816
Energy: 0.4414300616741697
Energy: 0.4669280359658816
Energy: 0.48281048974536683
Energy: 0.46751817346999186
Energy: 0.4502399290489625
Energy: 0.4675181734706235
Energy: 0.5192634453691314
Energy: 0.4814041247118876
Energy: 0.48201580176620296
Energy: 0.4814041247099926
Energy: 0.5351720111909042
Energy: 0.4684575399757824
Energy: 0.5273195588016808
Energy: 0.46845753997957235
Energy: 0.4350664153421145
Energy: 0.43535822238848215
Energy: 0.47992853837847566
Energy: 0.43535822238027055
Energy: 0.4316702019481371
Energy: 0.43114943680508044
Energy: 0.5298129458663312
Energy: 0.43114943680508044
Energy: 0.43354813683518817
Energy: 0.43294217097076704
Energy: 0.5137516776819403
Energy: 0.43294217096887205
Energy: 0.4317065115008505
Energy: 0.4341679721851087
Energy: 0.5224468891710397
Energy: 0.4341679721851087
Energy: 0.516640495502183
Energy: 0.43286338044512945
Energy: 0.4774186588081876
Energy: 0.4328633804413395
Energy: 0.5176138318637457
Energy: 0.433598121972998
Energy: 0.4342422964177354
Energy: 0.4335981219698397
Energy: 0.5262176456321789
Energy: 0.4322867593941676
Energy: 0.4327435269933915
Energy: 0.4322867593960626
Energy: 0.5241015703018241
Energy: 0.4375612768881062
Energy: 0.4438308871053208
Energy: 0.43756127689315955
Energy: 0.5185566187458686
Energy: 0.4309653766756738
Energy: 0.436132245534161
Energy: 0.4309653766788321
Energy: 0.5095633835297612
Energy: 0.48696184731336584
Energy: 0.6216051034738839
Energy: 0.48696184732094583
Energy: 0.48184972740286536
Energy: 0.4701009139889673
Energy: 0.48575222957526554
Energy: 0.4701009139858089
Energy: 0.4817440290294577
Energy: 0.469087739233472
Energy: 0.48666121580137517
Energy: 0.46908773922715535
Energy: 0.4817885851752284
Energy: 0.4677860750629065
Energy: 0.441287948819315
Energy: 0.46778607505406317
Energy: 0.5144622266964516
Energy: 0.481847786022507
Energy: 0.48402990039754346
Energy: 0.4818477860168508

minimum gb energy = 0.4309653766756738 eV
minimum distance =  2.56106559278275 Angstroms
sigma value = 29


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

Energy: 0.402780229661165
Energy: 0.40516950196004464
Energy: 0.46557369718420827
Energy: 0.40516950196090035
Energy: 0.42294378864767057
Energy: 0.45882530382166886
Energy: 0.4189229201542316
Energy: 0.458825303822109
Energy: 0.4258069209037539
Energy: 0.44487104384702963
Energy: 0.4107166132127609
Energy: 0.44487104384702963
Energy: 0.4186754098279885
Energy: 0.41852599230772924
Energy: 0.42677519353801374
Energy: 0.4185259923081693
Energy: 0.4200872095222253
Energy: 0.4185663238315254
Energy: 0.4149772340569418
Energy: 0.4185663238300097
Energy: 0.42576130465073536
Energy: 0.4558363822863489
Energy: 0.41738215139066376
Energy: 0.4558363822854687
Energy: 0.40976101670477894
Energy: 0.44676006209992736
Energy: 0.42584759625510676
Energy: 0.44676006210036745
Energy: 0.41848040580816187
Energy: 0.41997491103355844
Energy: 0.42195881677794017
Energy: 0.4199749110337785
Energy: 0.4226486985670386
Energy: 0.41816350186679363
Energy: 0.4177854858755075
Energy: 0.4181635018661335

minimum gb energy = 0.402780229661165 eV
minimum distance =  2.53373576172993 Angstroms
sigma value = 5


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

Energy: 0.5831303702924614
Energy: 0.40486974431965717
Energy: 0.48493658604801787
Energy: 0.40486974432204387
Energy: 0.47578101521885596
Energy: 0.4212859667778327
Energy: 0.48109667257597866
Energy: 0.42128596677962277
Energy: 0.48093293607656495
Energy: 0.46012719447310046
Energy: 0.49061953734700026
Energy: 0.4601271944719072
Energy: 0.4320184889103116
Energy: 0.4185096025948959
Energy: 0.49164540005990287
Energy: 0.41850960259668596
Energy: 0.47173447106760535
Energy: 0.41809511068605454
Energy: 0.487724792041703
Energy: 0.41809511068545785
Energy: 0.4207622389148681
Energy: 0.4198905239998118
Energy: 0.48803587802154513
Energy: 0.4198905239986184
Energy: 0.4187653911344607
Energy: 0.41854503474953353
Energy: 0.4835464501019663
Energy: 0.4185450347501302
Energy: 0.42857306229426145
Energy: 0.42067114921060583
Energy: 0.5213733075952457
Energy: 0.42067114921060583
Energy: 0.4655682555359621
Energy: 0.4335751852093556
Energy: 0.5186827801520512
Energy: 0.43357518520875893
Energy: 0.5063605170534345
Energy: 0.40734307220433463
Energy: 0.40981689367391133
Energy: 0.4073430722013512
Energy: 0.46488318837444986
Energy: 0.4069804882598986
Energy: 0.4076510100483985
Energy: 0.40698048826228533
Energy: 0.5390382634221754
Energy: 0.40687941393932586
Energy: 0.4056844376940517
Energy: 0.4068794139387292
Energy: 0.5126872918025088
Energy: 0.40658092187253064
Energy: 0.5062894739890514
Energy: 0.40658092187312733
Energy: 0.4722905065181776
Energy: 0.4309630306125774
Energy: 0.488602521143009
Energy: 0.43096303061377067
Energy: 0.42138437394063594
Energy: 0.4184600301006878
Energy: 0.48817968277011964
Energy: 0.4184600301012844
Energy: 0.4270285954935656
Energy: 0.42037335892953076
Energy: 0.4930259234440771
Energy: 0.4203733589301274
Energy: 0.41866370858255547
Energy: 0.4185479340810176
Energy: 0.4301510446360175
Energy: 0.4185479340822109
Energy: 0.48515215777133125
Energy: 0.4220419274737769
Energy: 0.47779667977946805
Energy: 0.4220419274737769
Energy: 0.4908987347098484
Energy: 0.4606933490177485
Energy: 0.4836105692109146
Energy: 0.46069334901715187
Energy: 0.48454387382626635
Energy: 0.4183420203680264
Energy: 0.430159506614458
Energy: 0.41834202036742973
Energy: 0.48918959319043626
Energy: 0.4301475363754324
Energy: 0.475026650641529
Energy: 0.4301475363766258
Energy: 0.48785619365659333
Energy: 0.4178577794012574
Energy: 0.41853869207174477
Energy: 0.4178577794012574
Energy: 0.49244886867309523
Energy: 0.41905694989132347
Energy: 0.42004764004072204
Energy: 0.41905694989132347
Energy: 0.5206863453252703
Energy: 0.42047764748054006
Energy: 0.4266519602240439
Energy: 0.4204776474799434
Energy: 0.5413974120513894
Energy: 0.43224571416636715
Energy: 0.46496220524926823
Energy: 0.43224571416577046
Energy: 0.4099360203076451
Energy: 0.4096589768224877
Energy: 0.5064111239686061
Energy: 0.4096589768254711
Energy: 0.40958366402303964
Energy: 0.4073889246379074
Energy: 0.46561560271269226
Energy: 0.4073889246361173
Energy: 0.40905069509253345
Energy: 0.40748555214781207
Energy: 0.4518016490581254
Energy: 0.4074855521460221
Energy: 0.4056917212866934
Energy: 0.4069976992626792
Energy: 0.5088805562508233
Energy: 0.4069976992638725
Energy: 0.48839595813101844
Energy: 0.4311786387663952
Energy: 0.47227208579648994
Energy: 0.43117863876758855
Energy: 0.48807095747538154
Energy: 0.41903141872424193
Energy: 0.4236765825044982
Energy: 0.4190314187236453
Energy: 0.4919641730656557
Energy: 0.4196700734568962
Energy: 0.4242907543554378
Energy: 0.4196700734562995
Energy: 0.4316080320595924
Energy: 0.41876834182186656
Energy: 0.41807438548410275
Energy: 0.41876834182246325

minimum gb energy = 0.40486974431965717 eV
minimum distance =  2.50730130024898 Angstroms
sigma value = 1


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

Energy: 0.6229644680895806
Energy: 0.38182972564434325
Energy: 0.4707976534038413
Energy: 0.3818297256459933
Energy: 0.4376044925011545
Energy: 0.4012851120032096
Energy: 0.48205525238935204
Energy: 0.4012851120023846
Energy: 0.48176204483811264
Energy: 0.4500751813209644
Energy: 0.48128668876208286
Energy: 0.45007518131931434
Energy: 0.4111490626936492
Energy: 0.3980937711300271
Energy: 0.48605692317697796
Energy: 0.3980937711292021
Energy: 0.39792144104853966
Energy: 0.3974330209191232
Energy: 0.4776984816579495
Energy: 0.39743302091994825
Energy: 0.3978788608853167
Energy: 0.3991863403868173
Energy: 0.4784625384887003
Energy: 0.3991863403843422
Energy: 0.3968053721481899
Energy: 0.3972127875955378
Energy: 0.48691326693008086
Energy: 0.3972127875980128
Energy: 0.4064767780613455
Energy: 0.4018590788393774
Energy: 0.5291362492749837
Energy: 0.40185907884267746
Energy: 0.4860773985092147
Energy: 0.4205133913671541
Energy: 0.5295206732400178
Energy: 0.4205133913663291
Energy: 0.47831000965300585
Energy: 0.40246156485285534
Energy: 0.40248887903203423
Energy: 0.4024615648503803
Energy: 0.4857306152842012
Energy: 0.39787834477609596
Energy: 0.39718125680072547
Energy: 0.39787834477692097
Energy: 0.5274071147948741
Energy: 0.40400143709023617
Energy: 0.399789427125943
Energy: 0.4040014370910612
Energy: 0.5274584101946636
Energy: 0.39782996444636304
Energy: 0.3971464342303212
Energy: 0.39782996444718804
Energy: 0.5052141929807763
Energy: 0.39850920928089956
Energy: 0.481491889260509
Energy: 0.39850920928089956
Energy: 0.4124104689981956
Energy: 0.44978960138955504
Energy: 0.48113379109950777
Energy: 0.44978960138955504
Energy: 0.409234437243158
Energy: 0.3994069014598337
Energy: 0.4002393668582662
Energy: 0.3994069014614838
Energy: 0.3988533228795418
Energy: 0.39783292976144197
Energy: 0.47884765754483066
Energy: 0.397832929760617
Energy: 0.4068385155793562
Energy: 0.4020306694347814
Energy: 0.48281891275621347
Energy: 0.4020306694356064
Energy: 0.39736959341036654
Energy: 0.39780609829483526
Energy: 0.5339376459217217
Energy: 0.39780609829483526
Energy: 0.40239330624767045
Energy: 0.40147833229635177
Energy: 0.5292404927920995
Energy: 0.4014783322955267
Energy: 0.478207079887966
Energy: 0.41852788018668335
Energy: 0.486241652442482
Energy: 0.41852788018668335
Energy: 0.4790240990983498
Energy: 0.39906354487932433
Energy: 0.4022419251547025
Energy: 0.39906354487932433
Energy: 0.5053160989932343
Energy: 0.3974180410232495
Energy: 0.3983025271747195
Energy: 0.3974180410265496
Energy: 0.527586836740533
Energy: 0.39824507564606343
Energy: 0.39766102652254814
Energy: 0.39824507564853845

minimum gb energy = 0.38182972564434325 eV
minimum distance =  2.51631778164493 Angstroms
sigma value = 17


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

Energy: 0.6749206428156483
Energy: 0.39052551253001294
Energy: 0.4779696786157924
Energy: 0.3905255125284831
Energy: 0.4087151972281738
Energy: 0.4015481366652274
Energy: 0.4602982603433262
Energy: 0.40154813666981676
Energy: 0.5091501957725925
Energy: 0.40035335573491165
Energy: 0.46412616693216846
Energy: 0.40035335573899106
Energy: 0.5145780981659908
Energy: 0.4257990560972448
Energy: 0.4482607251853547
Energy: 0.42579905609877455
Energy: 0.4385286756115174
Energy: 0.39078329675549206
Energy: 0.5157223786221778
Energy: 0.39078329675294243
Energy: 0.39093845921791537
Energy: 0.3914484920621615
Energy: 0.5028568630234141
Energy: 0.3914484920646648
Energy: 0.3914754051354422
Energy: 0.39060212340269274
Energy: 0.41147628286901416
Energy: 0.39060212340473244
Energy: 0.3955729672549138
Energy: 0.39195098823727903
Energy: 0.5010334596535669
Energy: 0.3919509882362592
Energy: 0.49881639285811913
Energy: 0.39188313851577805
Energy: 0.486593322587239
Energy: 0.3918831385152681
Energy: 0.4703559300471603
Energy: 0.42805619723634863
Energy: 0.4564048607381458
Energy: 0.4280561972373685
Energy: 0.4962317384454394
Energy: 0.40047583105307466
Energy: 0.4076405855657289
Energy: 0.40047583105511436
Energy: 0.49999127346649874
Energy: 0.4048977205723635
Energy: 0.4480429462746602
Energy: 0.40489772057389334
Energy: 0.5378944245114192
Energy: 0.40034011014508997
Energy: 0.40046297851857243
Energy: 0.4003401101461098
Energy: 0.4574604905819051
Energy: 0.4001294939750868
Energy: 0.40157101678280105
Energy: 0.400129493974577
Energy: 0.5128683101759403
Energy: 0.4015511808437139
Energy: 0.40774907245949665
Energy: 0.40155118084728336
Energy: 0.5198882023407414
Energy: 0.4010669397203169
Energy: 0.4595157426056559
Energy: 0.40106693971776725
Energy: 0.4110936885950246
Energy: 0.40418316777261953
Energy: 0.5171049334427741
Energy: 0.4041831677756791
Energy: 0.40090873069805577
Energy: 0.399941137023749
Energy: 0.49934371432666114
Energy: 0.3999411370227292
Energy: 0.41618290968648747
Energy: 0.40340607722369987
Energy: 0.48461653067026134
Energy: 0.4034060772252296
Energy: 0.4008288978544197
Energy: 0.40042202596369475
Energy: 0.5010192395031967
Energy: 0.40042202596726423
Energy: 0.46561849327079957
Energy: 0.4007844778354149
Energy: 0.4146607323056568
Energy: 0.4007844778364347
Energy: 0.4644398448804525
Energy: 0.4049232478231238
Energy: 0.5101303382299093
Energy: 0.40492324782363376
Energy: 0.41094423146610864
Energy: 0.42495906203406053
Energy: 0.514331614884851
Energy: 0.4249590620335506
Energy: 0.5177328578061969
Energy: 0.3916454871328126
Energy: 0.4378034282549796
Energy: 0.39164548713128283
Energy: 0.5026592278406561
Energy: 0.3920704465316851
Energy: 0.3901736404784548
Energy: 0.3920704465321951
Energy: 0.42315416311647713
Energy: 0.39137490537467645
Energy: 0.3942403501145569
Energy: 0.39137490537365655
Energy: 0.50680028855846
Energy: 0.39506111928969867
Energy: 0.39733695489913534
Energy: 0.3950611192927582
Energy: 0.4842001758849914
Energy: 0.39204455671724003
Energy: 0.5018106355434987
Energy: 0.39204455671724003
Energy: 0.4534397308899116
Energy: 0.4264073784345326
Energy: 0.4620143776529267
Energy: 0.426407378431473
Energy: 0.4085270788887963
Energy: 0.39966003254206933
Energy: 0.49543096440473816
Energy: 0.39966003254716864
Energy: 0.447169321436606
Energy: 0.3994357728077679
Energy: 0.5345827882300449
Energy: 0.39943577281286713
Energy: 0.3997939992742491
Energy: 0.39969752934932806
Energy: 0.5345175933066036
Energy: 0.39969752934728836
Energy: 0.3999185149687742
Energy: 0.4001047097573074
Energy: 0.45832426972549506
Energy: 0.40010470975577767
Energy: 0.41028199369220003
Energy: 0.402046756598741
Energy: 0.5137421566994005
Energy: 0.40204675659925093
Energy: 0.4589874417470163
Energy: 0.41323220461405985
Energy: 0.5172205518947887
Energy: 0.4132322046084506
Energy: 0.6039259335686259
Energy: 0.40503544801727676
Energy: 0.404623748331489
Energy: 0.40503544801472713
Energy: 0.49700536239474075
Energy: 0.4007668897512513
Energy: 0.4004535615502351
Energy: 0.4007668897517612
Energy: 0.4980636509657664
Energy: 0.4043589044817254
Energy: 0.4018990438884404
Energy: 0.4043589044817254

minimum gb energy = 0.3901736404784548 eV
minimum distance =  2.51545888518978 Angstroms
sigma value = 89


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

Energy: 0.7159202264492975
Energy: 0.38496964285431096
Energy: 0.36340278817172267
Energy: 0.38496964285697943
Energy: 0.3618575560197037
Energy: 0.4043176415482341
Energy: 0.36578785741775605
Energy: 0.40431764154956834
Energy: 0.3586631359699374
Energy: 0.40562273997863285
Energy: 0.37762623056981537
Energy: 0.40562273997863285
Energy: 0.3604117488078397
Energy: 0.40779648864222623
Energy: 0.36382309779148386
Energy: 0.407796488640892
Energy: 0.36334790976440334
Energy: 0.36381525651238944
Energy: 0.37342435909362237
Energy: 0.3638152565137237
Energy: 0.36445111108162104
Energy: 0.36309616272892614
Energy: 0.3732753207438764
Energy: 0.36309616272892614
Energy: 0.3643135297548261
Energy: 0.36265689273558677
Energy: 0.3642628093047835
Energy: 0.3626568927369209
Energy: 0.36350454970034646
Energy: 0.36542707913992667
Energy: 0.3589476070881282
Energy: 0.36542707913992667
Energy: 0.36463015437587337
Energy: 0.36425889918361964
Energy: 0.363284647093295
Energy: 0.36425889918361964
Energy: 0.37711153789839097
Energy: 0.4082905802700146
Energy: 0.3785224369464427
Energy: 0.4082905802713488
Energy: 0.3643967130403897
Energy: 0.4116249143946827
Energy: 0.3586444580936735
Energy: 0.4116249143946827
Energy: 0.3733479262842213
Energy: 0.37361249790783974
Energy: 0.3645179847203848
Energy: 0.37361249790650547
Energy: 0.3733030592432611
Energy: 0.3643549988558527
Energy: 0.36440156905702753
Energy: 0.36435499885451844
Energy: 0.36402497811422924
Energy: 0.36253689175127907
Energy: 0.3628113644953641
Energy: 0.3625368917526132
Energy: 0.3591749968109556
Energy: 0.3637145552277912
Energy: 0.3663916445369294
Energy: 0.3637145552277912

minimum gb energy = 0.3586444580936735 eV
minimum distance =  2.54262312693912 Angstroms
sigma value = 13


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

Energy: 0.6338625143664742
Energy: 0.3551346990221356
Energy: 0.451238943684129
Energy: 0.35513469903108325
Energy: 0.36120610516010127
Energy: 0.35800028745091483
Energy: 0.4260956734484259
Energy: 0.3580002874525925
Energy: 0.3605534326139548
Energy: 0.3567778981502182
Energy: 0.4207792219988882
Energy: 0.35677789815413274
Energy: 0.4764480973277912
Energy: 0.35911604841163636
Energy: 0.41212793856437807
Energy: 0.3591160484093995
Energy: 0.4718738308006722
Energy: 0.35783651520774634
Energy: 0.4253440724826695
Energy: 0.3578365152133386
Energy: 0.42159152227786917
Energy: 0.3573668864881135
Energy: 0.42601684729577277
Energy: 0.35736688648252124
Energy: 0.42055971827156363
Energy: 0.35685414346786726
Energy: 0.4677334363535637
Energy: 0.35685414345947886
Energy: 0.4131897650156969
Energy: 0.3575223089997404
Energy: 0.4249867393888684
Energy: 0.35752230900141807
Energy: 0.36429657526662257
Energy: 0.3594551117430171
Energy: 0.4240372177073025
Energy: 0.3594551117351879
Energy: 0.3603847443344952
Energy: 0.3578185713312846
Energy: 0.4146223957391186
Energy: 0.3578185713340807
Energy: 0.35848457637816555
Energy: 0.35781591791699763
Energy: 0.6344390600250235
Energy: 0.35781591790916845
Energy: 0.4174709582483459
Energy: 0.38192540373541917
Energy: 0.41472143011722284
Energy: 0.38192540374212985
Energy: 0.42660534560130564
Energy: 0.37907626820911794
Energy: 0.42676123866142524
Energy: 0.3790762682119141
Energy: 0.4703550794052231
Energy: 0.38135610507400575
Energy: 0.47700294263485343
Energy: 0.38135610507288725
Energy: 0.4250359168751149
Energy: 0.3584364801272664
Energy: 0.4692867113475833
Energy: 0.35843648012838486
Energy: 0.42411187625184366
Energy: 0.3578382142427171
Energy: 0.36002396576727286
Energy: 0.3578382142460725
Energy: 0.46826520889947165
Energy: 0.35772547980272307
Energy: 0.36021500405830403
Energy: 0.3577254798133483
Energy: 0.37734948679266345
Energy: 0.35854866910203054
Energy: 0.3589789438552795
Energy: 0.3585486691053859
Energy: 0.4551854897484086
Energy: 0.3592871849391423
Energy: 0.40899037575171543
Energy: 0.3592871849430569
Energy: 0.4143940212970831
Energy: 0.3567631956919115
Energy: 0.42310914133395416
Energy: 0.3567631956947077
Energy: 0.48572256007360104
Energy: 0.3566940157016623
Energy: 0.4098928785294963
Energy: 0.3566940156994254
Energy: 0.4146940467281173
Energy: 0.35680767137094116
Energy: 0.4258258869874494
Energy: 0.3568076713687043
Energy: 0.4139604316160001
Energy: 0.3583266324286388
Energy: 0.4254237980317431
Energy: 0.35832663242696117
Energy: 0.36104728054052937
Energy: 0.3566918836249402
Energy: 0.4696746571916756
Energy: 0.3566918836350062
Energy: 0.41075782951012507
Energy: 0.3577236554616356
Energy: 0.42451423817725037
Energy: 0.357723655452688
Energy: 0.3578012965257727
Energy: 0.35745375283078695
Energy: 0.4239967471944955
Energy: 0.3574537528402938
Energy: 0.35734144981603116
Energy: 0.35743899576721333
Energy: 0.4717312089680376
Energy: 0.35743899576553567
Energy: 0.3654082006908255
Energy: 0.36034921523545904
Energy: 0.37697773743569846
Energy: 0.360349215237696
Energy: 0.4093990647390173
Energy: 0.35814137046160477
Energy: 0.455834507048159
Energy: 0.35814137046775624
Energy: 0.42285709073166516
Energy: 0.38146212446865124
Energy: 0.4092016690419912
Energy: 0.38146212446641437
Energy: 0.468245543960514
Energy: 0.3784241154275919
Energy: 0.48604077092932746
Energy: 0.3784241154398949
Energy: 0.4252092770909475
Energy: 0.3572874797339884
Energy: 0.40925341497114476
Energy: 0.35728747973007385
Energy: 0.42519912982009067
Energy: 0.3589810455633976
Energy: 0.3631188978641887
Energy: 0.35898104555724614
Energy: 0.47001332733622764
Energy: 0.3572705792537501
Energy: 0.3574889794681275
Energy: 0.3572705792537501
Energy: 0.45509811244441756
Energy: 0.3574814561289676
Energy: 0.3605459964527707
Energy: 0.3574814561216976

minimum gb energy = 0.3551346990221356 eV
minimum distance =  2.53904988124851 Angstroms
sigma value = 37


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

Energy: 0.6188760859114403
Energy: 0.3361468112671455
Energy: 0.3413121017733544
Energy: 0.33614681133447244
Energy: 0.3751936896543155
Energy: 0.34137526949785446
Energy: 0.43732292676326356
Energy: 0.3413752694968924
Energy: 0.4681544239789273
Energy: 0.34188380191763024
Energy: 0.43465760692466715
Energy: 0.34188380191763024
Energy: 0.4688275746677886
Energy: 0.38592452278728806
Energy: 0.4229355954979968
Energy: 0.3859245227892123
Energy: 0.5139314062642718
Energy: 0.3298097038571648
Energy: 0.47277637647182674
Energy: 0.3298097038552405
Energy: 0.43699479121936313
Energy: 0.32967365057632314
Energy: 0.3751241644815696
Energy: 0.3296736505753611
Energy: 0.3834664265991888
Energy: 0.3319723634533138
Energy: 0.5079908592545275
Energy: 0.3319723634513895
Energy: 0.4202907481653161
Energy: 0.32702041504111073
Energy: 0.3778688395016645
Energy: 0.3270204150401486
Energy: 0.3749239273731288
Energy: 0.33037571659804976
Energy: 0.3777075509389872
Energy: 0.3303757165990119
Energy: 0.37424813918699584
Energy: 0.32647903002354334
Energy: 0.3261124262836357
Energy: 0.3264790300216191
Energy: 0.3944876816321931
Energy: 0.39437652052527816
Energy: 0.5469790547973116
Energy: 0.3943765205262184
Energy: 0.464591621852461
Energy: 0.326293382441735
Energy: 0.3262026082649902
Energy: 0.3262933824398108
Energy: 0.46364833484327184
Energy: 0.3260454462043663
Energy: 0.46858115162862735
Energy: 0.3260454462043663
Energy: 0.5138378475350588
Energy: 0.36793815411798747
Energy: 0.46868409668080424
Energy: 0.36793815411702535
Energy: 0.4727763764708646
Energy: 0.3770160686432458
Energy: 0.507934393459463
Energy: 0.3770160686413435
Energy: 0.3751241644931151
Energy: 0.367585852534116
Energy: 0.3348943252190905
Energy: 0.3675858525321918
Energy: 0.5141069251277793
Energy: 0.3672332433443621
Energy: 0.38340864973558725
Energy: 0.3672332433443621
Energy: 0.3778734257502191
Energy: 0.3458445059971076
Energy: 0.3286142865665766
Energy: 0.3458445059961454
Energy: 0.3777075512544112
Energy: 0.3424282206367012
Energy: 0.34093429298366495
Energy: 0.34242822063477696
Energy: 0.4215343066830485
Energy: 0.34209991167941894
Energy: 0.34693601948413477
Energy: 0.3420999116813432

minimum gb energy = 0.3260454462043663 eV
minimum distance =  2.52916558860571 Angstroms
sigma value = 25


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

Energy: 0.6668712218779477
Energy: 0.3104288870352192
Energy: 0.4144509550917551
Energy: 0.3104288870374731
Energy: 0.4528252509943223
Energy: 0.3042607618690962
Energy: 0.37935483477303733
Energy: 0.30426076186834483
Energy: 0.5792589394566485
Energy: 0.30390553920646773
Energy: 0.3810585223743684
Energy: 0.30390553920646773
Energy: 0.463579931853959
Energy: 0.3038992138628201
Energy: 0.4648856637527377
Energy: 0.3038992138643227
Energy: 0.46573143442376924
Energy: 0.33820409100064064
Energy: 0.517958338929686
Energy: 0.338204090999138
Energy: 0.45275725377775256
Energy: 0.33735400189054243
Energy: 0.5178539570127748
Energy: 0.33735400188979114
Energy: 0.4545067111090429
Energy: 0.3374766064686314
Energy: 0.46599031191496876
Energy: 0.33747660646788014
Energy: 0.46529204594301726
Energy: 0.30446423911342874
Energy: 0.5157869451469259
Energy: 0.3044642391149313
Energy: 0.38061730088207796
Energy: 0.3037354534057466
Energy: 0.5174648619466988
Energy: 0.3037354534049953
Energy: 0.38194738162735403
Energy: 0.30409866037732286
Energy: 0.5178899280280331
Energy: 0.30409866037807415
Energy: 0.3046300794068036
Energy: 0.30458137141739877
Energy: 0.565760608405185
Energy: 0.30458137143167335
Energy: 0.3070700011674978
Energy: 0.30434630997558526
Energy: 0.5179015681650382
Energy: 0.3043463099748339
Energy: 0.30568095314831867
Energy: 0.30420227450823834
Energy: 0.45620735217146036
Energy: 0.30420227450823834
Energy: 0.37931995461206264
Energy: 0.3040145707200819
Energy: 0.5745450845622609
Energy: 0.3040145707208332
Energy: 0.3809396261269165
Energy: 0.30373207457757784
Energy: 0.467232558514349
Energy: 0.30373207457607526
Energy: 0.3829116978009533
Energy: 0.3039986273456842
Energy: 0.5756430369823254
Energy: 0.3039986273449329
Energy: 0.467218455476363
Energy: 0.30622261926067534
Energy: 0.5758669418018122
Energy: 0.30622261925917277
Energy: 0.3839533924646139
Energy: 0.340701973448431
Energy: 0.4656219975351984
Energy: 0.3407019734499336
Energy: 0.516741494378712
Energy: 0.3379107902467944
Energy: 0.4539629567969165
Energy: 0.3379107902467944
Energy: 0.5179366601425447
Energy: 0.33741053485243855
Energy: 0.4527804635485988
Energy: 0.3374105348531898
Energy: 0.5665162190139591
Energy: 0.3044883970854292
Energy: 0.37946260404451376
Energy: 0.3044883970846779
Energy: 0.5180946785596117
Energy: 0.30348987055386134
Energy: 0.3041946229276086
Energy: 0.30348987055085613
Energy: 0.5156427552836972
Energy: 0.3047806937171214
Energy: 0.3788340581430711
Energy: 0.304780693718624
Energy: 0.5151474530746218
Energy: 0.3040721137787941
Energy: 0.3048908893389078
Energy: 0.3040721137802967
Energy: 0.4671049545409271
Energy: 0.30381556511593605
Energy: 0.3043617007079641
Energy: 0.30381556511593605
Energy: 0.5743987265798631
Energy: 0.3046090867943455
Energy: 0.30815360709231593
Energy: 0.3046090867928429

minimum gb energy = 0.30348987055085613 eV
minimum distance =  2.56123700189215 Angstroms
sigma value = 41


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

Energy: 0.7453276493897063
Energy: 0.293636636146728
Energy: 0.40288325589631535
Energy: 0.2936366361461121
Energy: 0.5230365367083829
Energy: 0.2843602423728551
Energy: 0.35382815981598886
Energy: 0.2843602423716232
Energy: 0.6293264259920253
Energy: 0.28403910963480317
Energy: 0.35039729027899524
Energy: 0.28403910963233936
Energy: 0.5201656989138702
Energy: 0.2848619248153827
Energy: 0.4257809816807382
Energy: 0.2848619248166146
Energy: 0.5278370879473783
Energy: 0.2869352750872526
Energy: 0.4691154509769499
Energy: 0.2869352750872526
Energy: 0.5223371267372747
Energy: 0.35370712426312284
Energy: 0.46724454506156726
Energy: 0.35370712426312284
Energy: 0.5249188296721505
Energy: 0.31290893417830656
Energy: 0.5292515758363103
Energy: 0.3129089341776906
Energy: 0.4677004169674946
Energy: 0.31476661724582145
Energy: 0.47216987732282034
Energy: 0.31476661724520555
Energy: 0.4105558877189414
Energy: 0.2844903622210852
Energy: 0.5758158991505344
Energy: 0.28449036222170115
Energy: 0.41067955904120684
Energy: 0.28399627867349886
Energy: 0.5301854911864743
Energy: 0.2839962786747307
Energy: 0.34819715783395444
Energy: 0.28570604064107796
Energy: 0.5269858707863008
Energy: 0.28570604064230987
Energy: 0.34879769792999993
Energy: 0.2837618082586138
Energy: 0.5298877639893603
Energy: 0.2837618082586138
Energy: 0.3484888620170199
Energy: 0.2851962244805004
Energy: 0.5729114096963486
Energy: 0.2851962244798845
Energy: 0.28495465915328594
Energy: 0.285686557747859
Energy: 0.5264302038181462
Energy: 0.285686557747243
Energy: 0.2857227522664761
Energy: 0.2846438183505117
Energy: 0.528184176603138
Energy: 0.2846438183511277
Energy: 0.28879313171969717
Energy: 0.2850447997168876
Energy: 0.5227373753404437
Energy: 0.2850447997162717
Energy: 0.34770200377151084
Energy: 0.28596336085599317
Energy: 0.5202948943277236
Energy: 0.28596336085476126
Energy: 0.3497565113004389
Energy: 0.2840681045670959
Energy: 0.5272392676108443
Energy: 0.28406810456586407
Energy: 0.34931407554474386
Energy: 0.28495192123106405
Energy: 0.5235896798481879
Energy: 0.28495192123106405
Energy: 0.4691484210115472
Energy: 0.28431258285540056
Energy: 0.5226022994640083
Energy: 0.2843125828560165
Energy: 0.4744106380656881
Energy: 0.28705297563699655
Energy: 0.5290751929863889
Energy: 0.28705297563699655
Energy: 0.4695363891378025
Energy: 0.3145422079087896
Energy: 0.5265085474660927
Energy: 0.3145422079087896
Energy: 0.5764162474462871
Energy: 0.31211518542096706
Energy: 0.5212634418736012
Energy: 0.312115185422199
Energy: 0.47147687827356966
Energy: 0.3146626704150586
Energy: 0.46989221883773746
Energy: 0.3146626704162904
Energy: 0.5291971602323158
Energy: 0.2870760332076563
Energy: 0.4132089178170141
Energy: 0.2870760332058085
Energy: 0.5762312652942587
Energy: 0.2842919214204175
Energy: 0.46789755668587496
Energy: 0.28429192142103343
Energy: 0.5266051370455253
Energy: 0.28486936655836603
Energy: 0.3492215957765172
Energy: 0.28486936655836603
Energy: 0.5273201346411454
Energy: 0.2840148010082477
Energy: 0.34980763190222763
Energy: 0.28401480100701587
Energy: 0.5262076717720543
Energy: 0.2860635714122761
Energy: 0.3533786208007787
Energy: 0.286063571412892
Energy: 0.5769142972408157
Energy: 0.2855775673692046
Energy: 0.28958555046592643
Energy: 0.28557756736858864
Energy: 0.5275144212089953
Energy: 0.2847607512244207
Energy: 0.2852804267712735
Energy: 0.2847607512268845
Energy: 0.5209227964252975
Energy: 0.2857852693597004
Energy: 0.2906045618399452
Energy: 0.28578526936093224

minimum gb energy = 0.2837618082586138 eV
minimum distance =  2.56534558103283 Angstroms
sigma value = 15


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

Energy: 0.6447812031278967
Energy: 0.2793640158641651
Energy: 0.3931842889699812
Energy: 0.2793640158615562
Energy: 0.5701236850165791
Energy: 0.269694288827651
Energy: 0.3287408755291665
Energy: 0.2696942888255639
Energy: 0.6648721558275817
Energy: 0.2699434677612276
Energy: 0.32636909558253596
Energy: 0.26994346776383654
Energy: 0.5689224247874745
Energy: 0.26919626340218655
Energy: 0.435168748065111
Energy: 0.2691962634047955
Energy: 0.5760765580649022
Energy: 0.2683119958278955
Energy: 0.4278656935975473
Energy: 0.2683119958305044
Energy: 0.5726586752698998
Energy: 0.26822356287870636
Energy: 0.4277659767651026
Energy: 0.26822356287974997
Energy: 0.47663316072003475
Energy: 0.27032999568508426
Energy: 0.5262710271417825
Energy: 0.27032999568508426
Energy: 0.5293512874168018
Energy: 0.29541628116225804
Energy: 0.42757325168100857
Energy: 0.29541628116330165
Energy: 0.47564047015159533
Energy: 0.3862851556313601
Energy: 0.5233164846647652
Energy: 0.38628515563031657
Energy: 0.47469608920581324
Energy: 0.27078732612893597
Energy: 0.6157526398356095
Energy: 0.2707873261398934
Energy: 0.43375253716778456
Energy: 0.26910732710174584
Energy: 0.5227472373676701
Energy: 0.2691073271022676
Energy: 0.37774165983930236
Energy: 0.2682392535302173
Energy: 0.6153348629733235
Energy: 0.26823925353126093
Energy: 0.42807484380964406
Energy: 0.26837799563819764
Energy: 0.6177582475690214
Energy: 0.26837799563819764
Energy: 0.33167571123761275
Energy: 0.2691737668887795
Energy: 0.5274876848954558
Energy: 0.2691737668872141
Energy: 0.32311816249151215
Energy: 0.26894734384731006
Energy: 0.5753681293161635
Energy: 0.2689473438493972
Energy: 0.3273658872138389
Energy: 0.2697977446608269
Energy: 0.5768384788265005
Energy: 0.26979774465873974
Energy: 0.2743123835960002
Energy: 0.2695789334547607
Energy: 0.5727318185408792
Energy: 0.2695789334542389
Energy: 0.2687951257432281
Energy: 0.2683479284551447
Energy: 0.5748006623919457
Energy: 0.2683479284546229
Energy: 0.2764102364323529
Energy: 0.26997761770024686
Energy: 0.575196455385221
Energy: 0.2699776176997251
Energy: 0.32883739889271485
Energy: 0.26990365422718743
Energy: 0.5764691955145124
Energy: 0.26990365422562207
Energy: 0.3222397063169938
Energy: 0.26868443230425343
Energy: 0.5748161197252464
Energy: 0.26868443230686234
Energy: 0.3307919999246822
Energy: 0.2692710213855018
Energy: 0.5768770462356937
Energy: 0.26927102138445824
Energy: 0.4283054505909138
Energy: 0.26827162093958207
Energy: 0.5710781214040855
Energy: 0.2682716209411474
Energy: 0.4299971571424053
Energy: 0.26838649289186733
Energy: 0.5750002128734011
Energy: 0.26838649274738013
Energy: 0.4336048346787223
Energy: 0.2698826411474069
Energy: 0.4806459260947917
Energy: 0.2698826411468851
Energy: 0.5244810905674736
Energy: 0.3854955497837512
Energy: 0.6169164264364131
Energy: 0.38549554978427303
Energy: 0.4271297345748941
Energy: 0.2931121252389861
Energy: 0.5236562486435915
Energy: 0.29311212523637714
Energy: 0.5280379092625495
Energy: 0.29587406117311926
Energy: 0.48094607644064263
Energy: 0.2958740611741628
Energy: 0.5256562374630097
Energy: 0.33538743131053234
Energy: 0.5252260258568306
Energy: 0.3353874313074016
Energy: 0.5246693285367174
Energy: 0.27187770104363373
Energy: 0.42798700941671713
Energy: 0.2718777010451991
Energy: 0.5748958731141709
Energy: 0.2681210711631144
Energy: 0.3777210853066555
Energy: 0.26812107116154904
Energy: 0.5277624227306209
Energy: 0.269553720931756
Energy: 0.4340616640134827
Energy: 0.269553720931756
Energy: 0.6181905996357733
Energy: 0.26914093261767735
Energy: 0.3264266080591676
Energy: 0.26914093261559024
Energy: 0.6146389947353756
Energy: 0.26928280364962126
Energy: 0.3256506144531523
Energy: 0.2692828036511866
Energy: 0.571647961799897
Energy: 0.26943569590029415
Energy: 0.28162657242406475
Energy: 0.26943569590133776
Energy: 0.6149215515945043
Energy: 0.26949225573872115
Energy: 0.2726964387829973
Energy: 0.26949225573767754
Energy: 0.5691056629308255
Energy: 0.26990830757364964
Energy: 0.27063056214043185
Energy: 0.2699083075746932

minimum gb energy = 0.26812107116154904 eV
minimum distance =  2.56926840089049 Angstroms
sigma value = 85


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

Energy: 0.6901642655189603
Energy: 0.26170487909679896
Energy: 0.2449160749370839
Energy: 0.26170487909679896
Energy: 0.5949182317038428
Energy: 0.2435109476067251
Energy: 0.29242127286738256
Energy: 0.24351094760627257
Energy: 0.5954104441942473
Energy: 0.24334046675714752
Energy: 0.2945031086731107
Energy: 0.24334046675760007
Energy: 0.5093321394761146
Energy: 0.243916739223726
Energy: 0.38307272083555427
Energy: 0.24391673922327348
Energy: 0.5990032414142147
Energy: 0.24292751795393536
Energy: 0.38288915507518506
Energy: 0.24292751795303025
Energy: 0.51040824786656
Energy: 0.24302565636461762
Energy: 0.384398795278713
Energy: 0.24302565636371254
Energy: 0.5095861860560075
Energy: 0.24298935979026698
Energy: 0.468717209152739
Energy: 0.24298935978800423
Energy: 0.5542311586868413
Energy: 0.24304492403465106
Energy: 0.3824173758288915
Energy: 0.24304492403374597
Energy: 0.5104045463463867
Energy: 0.31493941906453515
Energy: 0.46985570635712315
Energy: 0.31493941906498774
Energy: 0.5126246858646006
Energy: 0.36022657288797577
Energy: 0.5535462109751029
Energy: 0.36022657288797577
Energy: 0.4690123521563057
Energy: 0.2842711477528423
Energy: 0.4678213898452304
Energy: 0.2842711477528423
Energy: 0.4268148510640778
Energy: 0.24298749805751207
Energy: 0.5540960916952795
Energy: 0.24298749799010336
Energy: 0.4687738979595408
Energy: 0.2430254607730386
Energy: 0.553295424612735
Energy: 0.24302546077213347
Energy: 0.38282940452480324
Energy: 0.24312986022481992
Energy: 0.4670962647872483
Energy: 0.2431298602234623
Energy: 0.33591109973523375
Energy: 0.24299640672062645
Energy: 0.5984938603731066
Energy: 0.24299640671972136
Energy: 0.38277226726482366
Energy: 0.24338122328795073
Energy: 0.5534179739479331
Energy: 0.24338122328795073
Energy: 0.29189281042050486
Energy: 0.2435281724192799
Energy: 0.5521346125621812
Energy: 0.24352817242018499
Energy: 0.2897612138006211
Energy: 0.24299413992083985
Energy: 0.5982137703720062
Energy: 0.24299413992219748
Energy: 0.29137708342006435
Energy: 0.24518977280033474
Energy: 0.5956741155016247
Energy: 0.24518977280078727
Energy: 0.24326712916802515
Energy: 0.24497396293821563
Energy: 0.5959487110863894
Energy: 0.24497396293731052
Energy: 0.24388707773342558
Energy: 0.24339326876124806
Energy: 0.5986081462559928
Energy: 0.24339326876034298
Energy: 0.24348510952933158
Energy: 0.24366401555790554
Energy: 0.5929552876306566
Energy: 0.24366401555835807
Energy: 0.2915009258498899
Energy: 0.24382962891196833
Energy: 0.5965405428338024
Energy: 0.24382962891242088
Energy: 0.2912774504507174
Energy: 0.24307739315484178
Energy: 0.5991065188045924
Energy: 0.2430773931557469
Energy: 0.29120200975904104
Energy: 0.24457739962829225
Energy: 0.5093717486942907
Energy: 0.24457739962738714
Energy: 0.3832278193440643
Energy: 0.24308403005234522
Energy: 0.5977792474309427
Energy: 0.24308403005370285
Energy: 0.3825519687300307
Energy: 0.24302994825150617
Energy: 0.5955462969147655
Energy: 0.24302994825150617
Energy: 0.44257717546443726
Energy: 0.24326908164339903
Energy: 0.5097058158909248
Energy: 0.2432690816438516
Energy: 0.4705151850228877
Energy: 0.24291967593412445
Energy: 0.5996745516046161
Energy: 0.24291967588529065
Energy: 0.468798951869322
Energy: 0.24401120875871685
Energy: 0.5106107003438661
Energy: 0.24401120875962193
Energy: 0.5560466310695075
Energy: 0.28440883098768704
Energy: 0.4263180575741007
Energy: 0.2844088309795412
Energy: 0.4678156334832856
Energy: 0.2844678320494807
Energy: 0.5205097539227792
Energy: 0.2844678320503858
Energy: 0.554569435326609
Energy: 0.24361013958975317
Energy: 0.42434075442877034
Energy: 0.24361013965716188
Energy: 0.5992883773572035
Energy: 0.24298545984921985
Energy: 0.42456843780896325
Energy: 0.24298545984921985
Energy: 0.4675546183377063
Energy: 0.24462701320740593
Energy: 0.3830847425385839
Energy: 0.24462701320695338
Energy: 0.5992800039255451
Energy: 0.2429967785769183
Energy: 0.38304522163485205
Energy: 0.24299677857872848
Energy: 0.5975436146292102
Energy: 0.24307719734657568
Energy: 0.3836099932181505
Energy: 0.24307719734612315
Energy: 0.5521099874353734
Energy: 0.2441387817762564
Energy: 0.29116595800222894
Energy: 0.24413878177399367
Energy: 0.5989766283029578
Energy: 0.2430499007691681
Energy: 0.2909997391196501
Energy: 0.2430499007678105
Energy: 0.5962947997252017
Energy: 0.24395384917989557
Energy: 0.2915034191296135
Energy: 0.24395384917899046
Energy: 0.5519933243893691
Energy: 0.24447126967343158
Energy: 0.24352995182711415
Energy: 0.24447126967524174
Energy: 0.5983535062385951
Energy: 0.24350227312924794
Energy: 0.24361963167938405
Energy: 0.243502273130153
Energy: 0.592987625041638
Energy: 0.24499359821927202
Energy: 0.24313846764128808
Energy: 0.24499359821972455

minimum gb energy = 0.24291967588529065 eV
minimum distance =  2.57493615387809 Angstroms
sigma value = 113


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

Energy: 0.012253695841463018
Energy: 0.012558193884278765
Energy: 0.5186461985409231
Energy: 0.012558193882577952
Energy: 0.013159072562769044
Energy: 0.06644935608957317
Energy: 0.38240293803097025
Energy: 0.06644935608992106
Energy: 0.012538426328656512
Energy: 0.06603053157919295
Energy: 0.3809455190138859
Energy: 0.06603053157954084
Energy: 0.01352516303030182
Energy: 0.06533976726808638
Energy: 0.37926577517782173
Energy: 0.06533976726740993
Energy: 0.3815357177034269
Energy: 0.06557711414049701
Energy: 0.38137055183391955
Energy: 0.06557711413982055
Energy: 0.01259040932394167
Energy: 0.0660048624941457
Energy: 0.38097857147271236
Energy: 0.06600486249381714

minimum gb energy = 0.012253695841463018 eV
minimum distance =  2.84751953154025 Angstroms
sigma value = 1