Model name: model_name=MEAM_LAMMPS_PascuetFernandez_2015_AlU__MO_596300673917_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049998879432679
cohesive_energy=3.36025423720221
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[3.48204252220488e-19, 3.913508689741079e-19, 4.1544760554946797e-19, 4.3201411194502795e-19, 4.44839535900198e-19, 4.555420758153179e-19, 4.64905196064414e-19, 4.733390538657899e-19, 4.81072760478108e-19, 4.8823128567882e-19, 4.94885125239822e-19, 5.010679248704279e-19, 5.06798910690246e-19, 5.120796848759099e-19, 5.1691024742742e-19, 5.212809852849719e-19, 5.25180683212128e-19, 5.28599728149084e-19, 5.31525302682768e-19, 5.33946191576742e-19, 5.358479752413e-19, 5.37219438440004e-19, 5.3805096811305e-19, 5.383297468473659e-19, 5.38022128933638e-19, 5.37020768537388e-19, 5.351942871746279e-19, 5.32384069358592e-19, 5.28396251716566e-19, 5.2299851863662e-19, 5.15905682677902e-19, 5.06762060627664e-19, 4.9513666697136e-19, 4.80483159476796e-19, 4.62119010897888e-19, 4.3918225020554395e-19, 4.1056417116903593e-19, 3.74838836584104e-19, 3.3013971067213794e-19, 2.74001043593412e-19, 2.0311594277534998e-19, 1.1298084991744139e-19, -2.6342667780901197e-21, -1.525244918565222e-19, -3.49389862929648e-19, -6.12090754723458e-19, -9.6954917918193e-19, -1.4673871159582137e-18, -2.17974528879066e-18, -3.23069305186296e-18, -4.83330227355414e-18, -7.35812436577572e-18, -1.1429431432199458e-17, -1.7908329326535e-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: 0.010325842353246932
Energy: 0.01072938161531542
Energy: 0.011123228331631367
Energy: 0.01248999751783521
Energy: 0.29778405223085935
Energy: 0.010926985439675296
Energy: 0.010729416925074974
Energy: 0.06632474135460735
Energy: 0.06639984067183743
Energy: 0.06622846619353101
Energy: 0.06616794981854658
Energy: 0.06637223827340852
Energy: 0.010885195185657707
Energy: 0.0663998406720873
Energy: 0.0666983054811435
Energy: 0.010901322401953665
Energy: 0.06617073969554386
Energy: 0.06645230535627401
Energy: 0.01248999751783521
Energy: 0.06622846619378087
Energy: 0.010902443034318804
Energy: 0.010775885573415215
Energy: 0.06587978135498804
Energy: 0.010757428632997596
Energy: 0.2977368806211916
Energy: 0.06616682860179006
Energy: 0.06616507525302304
Energy: 0.06587854832039775
Energy: 0.06626451311796705
Energy: 0.06594969419512733
Energy: 0.010926985417937605
Energy: 0.06637223827340852
Energy: 0.06645230535602417
Energy: 0.010757428978302104
Energy: 0.06594969419487748
Energy: 0.011040213279160788

minimum gb energy = 0.010325842353246932 eV
minimum distance =  2.85673453400474 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 0.9008577309350424
Energy: 0.6233344000591217
Energy: 0.5973612135821559
Energy: 0.6065619529881745
Energy: 0.569446632659017
Energy: 0.5977769531323702
Energy: 0.7987996471118853
Energy: 0.5674591230325826
Energy: 0.5898368620756254
Energy: 0.578986969332195
Energy: 0.5737598829399039
Energy: 0.594377191397832
Energy: 0.8263962806208528
Energy: 0.566493021814752
Energy: 0.5713930562103746
Energy: 0.5685476741961374
Energy: 0.5664544165712013
Energy: 0.5789486967081043
Energy: 0.8284383820036588
Energy: 0.5678034734712254
Energy: 0.5882078325447183
Energy: 0.5738530690484291
Energy: 0.5671992565179912
Energy: 0.5891504441153597
Energy: 0.7637443879143215
Energy: 0.5989033143174263
Energy: 0.5894625127976918
Energy: 0.588428203304599
Energy: 0.5990135068973703
Energy: 0.5858224928904291
Energy: 0.7495951734735166
Energy: 0.5792408745073377
Energy: 0.579878083955513
Energy: 0.5737358502680949
Energy: 0.5723172505462266
Energy: 0.5829544391176898
Energy: 0.750589191523296
Energy: 0.6127332627774408
Energy: 0.6176268281189157
Energy: 0.5837391489525624
Energy: 0.613840177929799
Energy: 0.6269319025326865
Energy: 0.7419579683518904
Energy: 0.5886179959550537
Energy: 0.6092638496674042
Energy: 0.6147812496448373
Energy: 0.5728108788604536
Energy: 0.6162940953901749
Energy: 0.6351331863569643
Energy: 0.5732670636487266
Energy: 0.5891508005850643
Energy: 0.5689578187737695
Energy: 0.5743856675653205
Energy: 0.5766458787970526
Energy: 0.6614071877538724
Energy: 0.6048296290495105
Energy: 0.5917523182822149
Energy: 0.6079569359899836
Energy: 0.5924413692117841
Energy: 0.5768572417115687
Energy: 0.7303081333434366
Energy: 0.5964851930848807
Energy: 0.5945932768545089
Energy: 0.6787819451054062
Energy: 0.5821073264073041
Energy: 0.5660463732952196
Energy: 0.5717817495763926
Energy: 0.6155351647588087
Energy: 0.5756106758152337
Energy: 0.5727863491467738
Energy: 0.5752541105087338
Energy: 0.5702420971601897
Energy: 0.5783188906278476
Energy: 0.601735558975442
Energy: 0.5933511066476469
Energy: 0.5784163594405076
Energy: 0.5808075568803904
Energy: 0.5766014948540582
Energy: 0.621626656921008
Energy: 0.5882399224540695
Energy: 0.5883608254641468
Energy: 0.5681812714164861
Energy: 0.5746930378649039
Energy: 0.5690972566370043
Energy: 0.6158943499076897
Energy: 0.6079425604882168
Energy: 0.5805793085308625
Energy: 0.5876344950470695
Energy: 0.5899637075140148
Energy: 0.5773209237052405
Energy: 0.591425464695557
Energy: 0.569930414605832
Energy: 0.5874399850668347
Energy: 0.5756111126793299
Energy: 0.5686298362615887
Energy: 0.570214505486508
Energy: 0.7486936571380489
Energy: 0.5901343586853837
Energy: 0.6015295500881482
Energy: 0.5924718918573865
Energy: 0.5791798664336305
Energy: 0.5892012327844895
Energy: 0.6847750218399749
Energy: 0.594703378450642
Energy: 0.5987126659599484
Energy: 0.5730237517747573
Energy: 0.5922778625000078
Energy: 0.5992428790298896
Energy: 0.6961910347154093
Energy: 0.5857313882037711
Energy: 0.5836312100413318
Energy: 0.5813819129917349
Energy: 0.580706727350113
Energy: 0.5831253875017387
Energy: 0.7379989148989559
Energy: 0.6013747620814763
Energy: 0.599884982805576
Energy: 0.5961968982321628
Energy: 0.5900337701882488
Energy: 0.5994056897924207
Energy: 0.7827247508040887
Energy: 0.588969454272088
Energy: 0.5977966574582299
Energy: 0.5829634722319595
Energy: 0.5892236492553627
Energy: 0.5944821348346027
Energy: 0.7826150305388165
Energy: 0.5753392692245972
Energy: 0.5699815517005415
Energy: 0.5770159167137878
Energy: 0.5739504599916525
Energy: 0.5738751208939057
Energy: 0.798772990779398
Energy: 0.5746117449969418
Energy: 0.606082413711808
Energy: 0.596365033978947
Energy: 0.5734227206979073
Energy: 0.6104920451744101

minimum gb energy = 0.5660463732952196 eV
minimum distance =  2.55191955752588 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.0561042751558587
Energy: 0.6228175169747808
Energy: 0.6039164012825696
Energy: 0.7854803825120975
Energy: 0.8253726905369266
Energy: 0.6185811340646503
Energy: 0.8318006830578295
Energy: 0.5887929489822892
Energy: 0.5893940310162585
Energy: 0.6168906428755138
Energy: 0.5876745639727453
Energy: 0.6222395291061065
Energy: 0.7852843700766562
Energy: 0.6113589925024175
Energy: 0.585034195343602
Energy: 0.5950454378772764
Energy: 0.5873991298390995
Energy: 0.6122501944432271
Energy: 0.8187387485354223
Energy: 0.6088501464115719
Energy: 0.6178275752877885
Energy: 0.5978524015406337
Energy: 0.6286535290511768
Energy: 0.6170483078971862
Energy: 0.7365578312928108
Energy: 0.6241566315736102
Energy: 0.6278796351281597
Energy: 0.6108420171858672
Energy: 0.625356012634318
Energy: 0.6312332227801537
Energy: 0.7870437586910315
Energy: 0.618004677072666
Energy: 0.6204400159445739
Energy: 0.6200129854194254
Energy: 0.6284312475248071
Energy: 0.6216063219479415
Energy: 0.7935538345788878
Energy: 0.6329036344415979
Energy: 0.6454664480829528
Energy: 0.6202001762621668
Energy: 0.6242243103269196
Energy: 0.6302981581518436
Energy: 0.7424987035697492
Energy: 0.5688184458034629
Energy: 0.6042755223295989
Energy: 0.6270400691992426
Energy: 0.5673360675252558
Energy: 0.6015926876762175
Energy: 0.6782025004295675
Energy: 0.5733088507230617
Energy: 0.5903403219302071
Energy: 0.5812711224140882
Energy: 0.5805226520012255
Energy: 0.5907849900715717
Energy: 0.6706641258485118
Energy: 0.5906628817795003
Energy: 0.6084753826455261
Energy: 0.6029126917565125
Energy: 0.5808544094078334
Energy: 0.6278113452666211
Energy: 0.6540840653330336
Energy: 0.5567943487248844
Energy: 0.5569515058629282
Energy: 0.6538625670880583
Energy: 0.557134851228004
Energy: 0.5572534507804399
Energy: 0.6089655179134144
Energy: 0.5710916060739748
Energy: 0.6030515710612939
Energy: 0.6012464030506048
Energy: 0.571494244620803
Energy: 0.6069000836866165
Energy: 0.6060432617091494
Energy: 0.5944106366960092
Energy: 0.5941728124740977
Energy: 0.5987026443252161
Energy: 0.5872335191133992
Energy: 0.5943367165769575
Energy: 0.7321611389396707
Energy: 0.6009215786444327
Energy: 0.6105097147215347
Energy: 0.6109663850222877
Energy: 0.5951629077380548
Energy: 0.6088325602413969
Energy: 0.6560713042577961
Energy: 0.6208014885459288
Energy: 0.6143856046083376
Energy: 0.6205435941073971
Energy: 0.602915327427475
Energy: 0.6143318120695727
Energy: 0.660230907575467
Energy: 0.6267579933019247
Energy: 0.6193117702414755
Energy: 0.6172804564878277
Energy: 0.6237348858822572
Energy: 0.6177127553362677
Energy: 0.8050113771435742
Energy: 0.6249527082471596
Energy: 0.6252903064927029
Energy: 0.6499988777920869
Energy: 0.6388492361178406
Energy: 0.6407426504142135
Energy: 0.7337884121735089
Energy: 0.630253330455512
Energy: 0.6312183987728969
Energy: 0.5666565724183799
Energy: 0.6298408295669681
Energy: 0.5984971346069008
Energy: 0.7273161612353694
Energy: 0.6008024344803979
Energy: 0.6012571781296925
Energy: 0.5979218310457429
Energy: 0.5811122804152701
Energy: 0.6029897371760764
Energy: 0.8022135217645178
Energy: 0.6111862191895973
Energy: 0.620190709378251
Energy: 0.6255086142778241
Energy: 0.6118692647804344
Energy: 0.6110891980355695
Energy: 0.8772042770108257
Energy: 0.6152191245178933
Energy: 0.588098479015317
Energy: 0.5884222581852178
Energy: 0.6089436216062136
Energy: 0.5887239560692533
Energy: 0.8863842964878337
Energy: 0.6110951019668035
Energy: 0.6176867378626045
Energy: 0.6055374367438349
Energy: 0.6085167170006616
Energy: 0.6137017438753677
Energy: 0.7930506065066267
Energy: 0.6095878352213392
Energy: 0.6069942161217049
Energy: 0.6277655409661115
Energy: 0.603186413432014
Energy: 0.6058644206258178
Energy: 0.8880999136556199
Energy: 0.7012143048680246
Energy: 0.6969621195758584
Energy: 0.6006399592247277
Energy: 0.7129899362290754
Energy: 0.6075460701956155
Energy: 0.7623563614693305
Energy: 0.6190904724772284
Energy: 0.6235092036688368
Energy: 0.6211833162246949
Energy: 0.6095079696835186
Energy: 0.6278675872243364
Energy: 0.7917309189916473
Energy: 0.6165463083519852
Energy: 0.6164957563546773
Energy: 0.6251021558527297
Energy: 0.6289848225753576
Energy: 0.6185653270123995
Energy: 0.7987116674058997
Energy: 0.6408730023645869
Energy: 0.6317561708276587
Energy: 0.6177474230570298
Energy: 0.6275071442751479
Energy: 0.6302712995964174
Energy: 0.7469330281666856
Energy: 0.5686376475503541
Energy: 0.6010705891438822
Energy: 0.6206349646355804
Energy: 0.5797861429052245
Energy: 0.6249064665974849
Energy: 0.6758157921605139
Energy: 0.5609749607225535
Energy: 0.5841977667389427
Energy: 0.5690062821168966
Energy: 0.5665555093454085
Energy: 0.5981045457802636
Energy: 0.6710567567741048
Energy: 0.5975777253098531
Energy: 0.5938851396548169
Energy: 0.574306282506211
Energy: 0.5925627857745007
Energy: 0.6063299991029668
Energy: 0.7360832583990664
Energy: 0.5569803747725544
Energy: 0.5571479324750026
Energy: 0.5968547269798196
Energy: 0.5567351118968333
Energy: 0.5574405244696964
Energy: 0.6231181390567682
Energy: 0.5794766849795221
Energy: 0.5797489878518642
Energy: 0.5967486457451677
Energy: 0.5572001099354653
Energy: 0.5962762091224829
Energy: 0.613147527719407
Energy: 0.5913531972824329
Energy: 0.5973716362192438
Energy: 0.6040925919666051
Energy: 0.5846659389762828
Energy: 0.5961185764762184
Energy: 0.6147504470812977
Energy: 0.6100294940804741
Energy: 0.6071600943712794
Energy: 0.6040855985581816
Energy: 0.5990637450708836
Energy: 0.6097471192865294
Energy: 0.6636061997345517
Energy: 0.6268257431500526
Energy: 0.6213255169375663
Energy: 0.6176393700422905
Energy: 0.6143404285372975
Energy: 0.6170226022808685
Energy: 0.6639185976075676
Energy: 0.6188660599036826
Energy: 0.6184740791402381
Energy: 0.61790722077264
Energy: 0.625751378252066
Energy: 0.6193436066798313
Energy: 0.7771724812723592
Energy: 0.6340672614488475
Energy: 0.6275481460825064
Energy: 0.7350619338207033
Energy: 0.6235787699096547
Energy: 0.635703059249252
Energy: 0.7190158251698217
Energy: 0.6221739231144175
Energy: 0.6214516375252191
Energy: 0.581559759059695
Energy: 0.62492768950255
Energy: 0.6488391284634414
Energy: 0.7453231301331332
Energy: 0.6089711129772617
Energy: 0.6052103116148789
Energy: 0.5679103242484131
Energy: 0.6044219965992492
Energy: 0.6003572730640045
Energy: 0.7668069111321423
Energy: 0.5861753098301521
Energy: 0.5973268862993829
Energy: 0.5998773963318871
Energy: 0.5634136753598692
Energy: 0.6170539982648136
Energy: 0.8451633474803172
Energy: 0.5851207664622967
Energy: 0.5812919934716624
Energy: 0.571524343275728
Energy: 0.5856432470786781
Energy: 0.5855206316904855

minimum gb energy = 0.5567351118968333 eV
minimum distance =  2.62115949433183 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 0.96054999651166
Energy: 0.6314870870601641
Energy: 0.6320390387307577
Energy: 0.7435698796781868
Energy: 0.7299754424437122
Energy: 0.5944968778176919
Energy: 0.7811851799126226
Energy: 0.5760778575960291
Energy: 0.5757133908713509
Energy: 0.6058257700763382
Energy: 0.5714108677264563
Energy: 0.5854197865723372
Energy: 0.7876036624127348
Energy: 0.56420986800429
Energy: 0.5632170392910263
Energy: 0.6042660605735014
Energy: 0.5634154371421902
Energy: 0.5631004422993514
Energy: 0.7776014845278391
Energy: 0.5755368297443502
Energy: 0.5768547384842628
Energy: 0.5855985775426419
Energy: 0.5742093879570713
Energy: 0.5968951799843039
Energy: 0.743134525021714
Energy: 0.5802487992196755
Energy: 0.6064312841459002
Energy: 0.6167587447247272
Energy: 0.5798958980748778
Energy: 0.605344556324773
Energy: 0.6886923759391674
Energy: 0.5663033892715883
Energy: 0.5643022882547114
Energy: 0.5887670295677222
Energy: 0.574317010169332
Energy: 0.564069629357893
Energy: 0.6852511981982765
Energy: 0.6276537626915358
Energy: 0.5917230671896326
Energy: 0.5812581270399949
Energy: 0.5880162215302681
Energy: 0.6165160029559771
Energy: 0.7276869373382395
Energy: 0.5670453590909132
Energy: 0.5835455891852871
Energy: 0.6288008565741569
Energy: 0.5661163765411431
Energy: 0.5758618264099409
Energy: 0.5822386681875176
Energy: 0.5925090767980868
Energy: 0.5721296379011666
Energy: 0.5823162004977965
Energy: 0.5933003601668392
Energy: 0.5778617716638289
Energy: 0.5716878457804595
Energy: 0.612719209982054
Energy: 0.5839500137936255
Energy: 0.5717422313808541
Energy: 0.617544902597992
Energy: 0.5828688824676638
Energy: 0.5702573229186444
Energy: 0.580881322591099
Energy: 0.5755848218505893
Energy: 0.5707621656373152
Energy: 0.579964411997069
Energy: 0.569538549214066
Energy: 0.6165322459880519
Energy: 0.6049436937977336
Energy: 0.6059931225391582
Energy: 0.5915017797478064
Energy: 0.6043205890065713
Energy: 0.6165617555174175
Energy: 0.6203930134243753
Energy: 0.5775870436926543
Energy: 0.5564026808957827
Energy: 0.5822058669695018
Energy: 0.5780419620786985
Energy: 0.5556937520607989
Energy: 0.6276705275457944
Energy: 0.587719134123826
Energy: 0.6023640915799361
Energy: 0.6876729750648383
Energy: 0.5871083161749281
Energy: 0.6327436951434527
Energy: 0.7209799736630815
Energy: 0.58271995381014
Energy: 0.6128001696877727
Energy: 0.559768412887438
Energy: 0.627613862577456
Energy: 0.5993283626171179
Energy: 0.7544786211446648
Energy: 0.5912250323096043
Energy: 0.5891280234849551
Energy: 0.5878814020747374
Energy: 0.5903453259234833
Energy: 0.6036935299408901
Energy: 0.7511682665785652
Energy: 0.5751952706949579
Energy: 0.6006680021919167
Energy: 0.6068228885750915
Energy: 0.5829285638090812
Energy: 0.5667357470010083
Energy: 0.8199992554771978
Energy: 0.5799455537035257
Energy: 0.5679567400861213
Energy: 0.5662065490254603
Energy: 0.5794715673989167
Energy: 0.5683590453203604

minimum gb energy = 0.5556937520607989 eV
minimum distance =  2.65062041411903 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.862926564063439
Energy: 0.5774912859920351
Energy: 0.5498278136452469
Energy: 0.6424207434269833
Energy: 0.5677703713483203
Energy: 0.5748370183072854
Energy: 0.7122595385516248
Energy: 0.5684888920720967
Energy: 0.5686744074756069
Energy: 0.6670937922855162
Energy: 0.5709224029750188
Energy: 0.5534625708457743
Energy: 0.6767789353269285
Energy: 0.598517691225026
Energy: 0.5690135434801645
Energy: 0.6012252941022309
Energy: 0.5700933323686718
Energy: 0.6069214403087071
Energy: 0.7090054759557108
Energy: 0.6341773264076677
Energy: 0.5911917566424455
Energy: 0.5806239894118386
Energy: 0.6549150973936894
Energy: 0.5910239875144361
Energy: 0.6454050251386558
Energy: 0.5926021240818952
Energy: 0.6197468688083289
Energy: 0.6099829051335475
Energy: 0.6379943969033236
Energy: 0.6041235157478333
Energy: 0.6909671849815663
Energy: 0.5528470231320625
Energy: 0.5838212230218756
Energy: 0.6073918840452035
Energy: 0.5685178229575619
Energy: 0.5863394575609133
Energy: 0.6815342600619088
Energy: 0.5928763325062918
Energy: 0.5991833405641476
Energy: 0.6692944488218435
Energy: 0.6168905935672151
Energy: 0.6014113129479883
Energy: 0.6494739518733494
Energy: 0.501905642687064
Energy: 0.5013599090186308
Energy: 0.645816418478219
Energy: 0.540069183185968
Energy: 0.5060604374555309
Energy: 0.6168909259501565
Energy: 0.5026567310093667
Energy: 0.5004664742805491
Energy: 0.6121622037350574
Energy: 0.5025349037001936
Energy: 0.5070694951320085
Energy: 0.591883528787907
Energy: 0.6004138654208359
Energy: 0.6043328791431369
Energy: 0.6016220205147443
Energy: 0.6199993776582048
Energy: 0.6043672106834376
Energy: 0.5929458073050832
Energy: 0.5594680282118825
Energy: 0.5760411060813935
Energy: 0.5928691504420456
Energy: 0.6336183182482198
Energy: 0.5870042441749042
Energy: 0.6543085401039276
Energy: 0.6148634877595777
Energy: 0.6149443367668301
Energy: 0.6239701991143892
Energy: 0.6229525838386083
Energy: 0.6327477329034532
Energy: 0.5754787392879005
Energy: 0.6005890432097425
Energy: 0.5990533839002898
Energy: 0.5770059426754839
Energy: 0.6739945398598168
Energy: 0.6026417629595452
Energy: 0.675617765723763
Energy: 0.6174092052573327
Energy: 0.615658999093609
Energy: 0.6211269692602579
Energy: 0.6203298268036783
Energy: 0.6340050718873532
Energy: 0.7301422587987423
Energy: 0.5840680229346472
Energy: 0.5833678659998139
Energy: 0.5014381020462224
Energy: 0.585665356061005
Energy: 0.5061157332702811
Energy: 0.7385064559444136
Energy: 0.6088552704278322
Energy: 0.5500821262179504
Energy: 0.5402703889689512
Energy: 0.6106516154546516
Energy: 0.521189275206803
Energy: 0.6947933621099405
Energy: 0.5982628897049933
Energy: 0.6070809150109701
Energy: 0.6279270528423275
Energy: 0.6001715759815545
Energy: 0.603887003918345
Energy: 0.6630275437105007
Energy: 0.5918474809709087
Energy: 0.5855064568653798
Energy: 0.5753635592795228
Energy: 0.5932482911000113
Energy: 0.5897828959843763
Energy: 0.7135583911575747
Energy: 0.5923760286889456
Energy: 0.5862182668708611
Energy: 0.5760310942919223
Energy: 0.6009467674394966
Energy: 0.591540348376258
Energy: 0.6941730947645951
Energy: 0.5532903478537937
Energy: 0.6352324311436217
Energy: 0.6934874469465659
Energy: 0.5674471182823977
Energy: 0.589740347140866
Energy: 0.6977083432654811
Energy: 0.6269685793140294
Energy: 0.6175577016752938
Energy: 0.6218522403221797
Energy: 0.6343066136807558
Energy: 0.6245575243774715
Energy: 0.7351050747051849
Energy: 0.6255885701078664
Energy: 0.6248847165597515
Energy: 0.5920281920959252
Energy: 0.625815808580231
Energy: 0.6049572349128138
Energy: 0.6442942047884794
Energy: 0.6423374035769771
Energy: 0.5197962103168638
Energy: 0.6955149464079885
Energy: 0.5596806937982581
Energy: 0.5523399961679955
Energy: 0.6025738270026978
Energy: 0.5856196936466508
Energy: 0.583140984741105
Energy: 0.5984012414644411
Energy: 0.6118879952291933
Energy: 0.581790766084962
Energy: 0.5885783262198774
Energy: 0.6270126468551624
Energy: 0.5919683076982023
Energy: 0.5916137717223229
Energy: 0.6312494118219755
Energy: 0.5912286377449592
Energy: 0.6467170013067443
Energy: 0.5742423919353098
Energy: 0.570807187634418
Energy: 0.6352733879092268
Energy: 0.5789825399913469
Energy: 0.5931641303121746
Energy: 0.6757234853259816
Energy: 0.6182361416034456
Energy: 0.6271501272802874
Energy: 0.6110772891516192
Energy: 0.6124354052735705
Energy: 0.6109366515214043
Energy: 0.5684437096741783
Energy: 0.6034884053420008
Energy: 0.6037656889186047
Energy: 0.5703214399319769
Energy: 0.6092624353898389
Energy: 0.5972218615974942
Energy: 0.7212087203678783
Energy: 0.6076902458922043
Energy: 0.5770816468320541
Energy: 0.5529687777614598
Energy: 0.6490312053572305
Energy: 0.6061826125861915
Energy: 0.8127115489723257
Energy: 0.6166660809906855
Energy: 0.5423014868612749
Energy: 0.5400225474868398
Energy: 0.6150032656427876
Energy: 0.523342391342991

minimum gb energy = 0.5004664742805491 eV
minimum distance =  2.66409352032736 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.7227478944539389
Energy: 0.635616180676832
Energy: 0.6344200988836765
Energy: 0.6202907790956532
Energy: 0.7203209556476665
Energy: 0.633439527291927
Energy: 0.6827105586302252
Energy: 0.5899571172208121
Energy: 0.5707564855779875
Energy: 0.5984153397236498
Energy: 0.5990345950444087
Energy: 0.5703439040955096
Energy: 0.6568607721312557
Energy: 0.572645511119185
Energy: 0.5795659876557656
Energy: 0.6639343853560045
Energy: 0.5711705848415299
Energy: 0.580540553997192
Energy: 0.9005208895422396
Energy: 0.6915256939491848
Energy: 0.6503576233499629
Energy: 0.5722338341298342
Energy: 0.674727326650714
Energy: 0.6002051307880119
Energy: 0.7040271579743027
Energy: 0.6567475429549362
Energy: 0.5804019917972135
Energy: 0.6027973558388412
Energy: 0.607666805103543
Energy: 0.5801322749363349
Energy: 0.5798368569014837
Energy: 0.6235242094898578
Energy: 0.6121189055806856
Energy: 0.5800201262013556
Energy: 0.6232571082114767
Energy: 0.5707022699758225
Energy: 0.5774239119477201
Energy: 0.5839593509715515
Energy: 0.5718862680954511
Energy: 0.5780938597669384
Energy: 0.6340291733620389
Energy: 0.576587317207676
Energy: 0.5977920979030021
Energy: 0.6241477599736792
Energy: 0.5921748035025982
Energy: 0.597781488172739
Energy: 0.6230758459738172
Energy: 0.6257117617870972
Energy: 0.7042049105503415
Energy: 0.5783824460265135
Energy: 0.5978415490953846
Energy: 0.5991870454680918
Energy: 0.6289742332159572
Energy: 0.5981527209000765
Energy: 0.5740945298288407
Energy: 0.623361588762541
Energy: 0.5864897340210141
Energy: 0.6305195689679899
Energy: 0.6119252330390146
Energy: 0.5924543671089679
Energy: 0.6570589400925829
Energy: 0.5926013871330913
Energy: 0.5898497675818525
Energy: 0.6178198340380164
Energy: 0.5928679355190805
Energy: 0.5863143699395299
Energy: 0.682710560441017
Energy: 0.5900556711463625
Energy: 0.5793719533769085
Energy: 0.639359437673077
Energy: 0.5903603700528177
Energy: 0.5936601372402539

minimum gb energy = 0.5703439040955096 eV
minimum distance =  2.65052135071756 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.0808206583621627
Energy: 0.7786791270552066
Energy: 0.6263469469209836
Energy: 0.7919238721653894
Energy: 0.9459774064013492
Energy: 0.7959498417393032
Energy: 0.528586330490094
Energy: 0.5645149009834078
Energy: 0.5382374240636937
Energy: 0.631038754981153
Energy: 0.566057700440635
Energy: 0.5374611247296156
Energy: 0.5724639570506915
Energy: 0.5453437896566373
Energy: 0.5471971207214811
Energy: 0.5909151165603552
Energy: 0.5389286544208468
Energy: 0.5761586735021564
Energy: 0.7210231986260489
Energy: 0.5818656951393969
Energy: 0.5727818848494343
Energy: 0.5816212085251111
Energy: 0.562547674091063
Energy: 0.570623366940476
Energy: 0.7180643304763091
Energy: 0.5602621834889164
Energy: 0.569468221959037
Energy: 0.6400572703336195
Energy: 0.6128987748413819
Energy: 0.5843570894665618
Energy: 0.6082337721927603
Energy: 0.6349002051635316
Energy: 0.6280439787741455
Energy: 0.6050632613607215
Energy: 0.612442204871971
Energy: 0.6118122406526006
Energy: 0.57741865409509
Energy: 0.6354635891559022
Energy: 0.5787748436275306
Energy: 0.5789166940075413
Energy: 0.5818572265425034
Energy: 0.5793101981211282
Energy: 0.5825019925350708
Energy: 0.595883380553052
Energy: 0.6116552231017165
Energy: 0.5823520959566107
Energy: 0.5917683695429065
Energy: 0.5767329953211082
Energy: 0.7040883448296869
Energy: 0.5749089565438499
Energy: 0.5788553920976731
Energy: 0.6327505918595467
Energy: 0.5923028026490373
Energy: 0.5700890702279633
Energy: 0.820726964711979
Energy: 0.6274159438479231
Energy: 0.5937367661022905
Energy: 0.5859882319103329
Energy: 0.6238450189630489
Energy: 0.5863513706914442
Energy: 0.5232348975904071
Energy: 0.5641642560198944
Energy: 0.5636079668147573
Energy: 0.5841902984027283
Energy: 0.5619280590275785
Energy: 0.5639399392726286
Energy: 0.7155718339480243
Energy: 0.5789376709322231
Energy: 0.5739093472197025
Energy: 0.6283389267036904
Energy: 0.5818691705122516
Energy: 0.568673486096975
Energy: 0.9629034229533132
Energy: 0.6298762184897492
Energy: 0.6913641223399345
Energy: 0.6404186502925208
Energy: 0.7112978977225471
Energy: 0.6661365613815072
Energy: 0.6428644007199172
Energy: 0.5724263990723908
Energy: 0.6071909772239308
Energy: 0.5788196350199635
Energy: 0.5931123255156451
Energy: 0.5916167736490432
Energy: 0.5903420074658938
Energy: 0.5639038389218619
Energy: 0.5630315136006336
Energy: 0.5909676021104131
Energy: 0.5670807370925173
Energy: 0.5978454761052338
Energy: 0.5401560180104247
Energy: 0.5752803479234931
Energy: 0.5468243523411843
Energy: 0.5413305268806348
Energy: 0.5831828472640928
Energy: 0.5459215930661051
Energy: 0.5651202365401162
Energy: 0.637398064429261
Energy: 0.6137510425785324
Energy: 0.5653927843369186
Energy: 0.6241066690710738
Energy: 0.5652840770162924
Energy: 0.6361745455522336
Energy: 0.6026104405466465
Energy: 0.6345671129888625
Energy: 0.5649663254622695
Energy: 0.6244705901102158
Energy: 0.6365070935963832
Energy: 0.6189862976494418
Energy: 0.5540766717318465
Energy: 0.5489946445929088
Energy: 0.551907963093693
Energy: 0.5869623410849955
Energy: 0.5532334899485135
Energy: 0.5749300408929554
Energy: 0.5522043451095874
Energy: 0.5513662414303705
Energy: 0.5481929085555837
Energy: 0.5480905551889163
Energy: 0.5555054571712049
Energy: 0.5753147457131762
Energy: 0.5509075536753937
Energy: 0.5510036641496342
Energy: 0.5638207310209061
Energy: 0.5521086138784098
Energy: 0.5513226642503011
Energy: 0.6678579988106121
Energy: 0.6030539090542483
Energy: 0.6285317197041258
Energy: 0.6834972960126822
Energy: 0.5649792352274882
Energy: 0.642489366659999
Energy: 0.8256890689150447
Energy: 0.574304778235185
Energy: 0.5681992382921569
Energy: 0.6499697429803728
Energy: 0.5705700303270357
Energy: 0.6288389598104797
Energy: 0.5721970307301146
Energy: 0.5458027697278253
Energy: 0.546202558789451
Energy: 0.5786880900333407
Energy: 0.5401884540308883
Energy: 0.563854982715084
Energy: 0.731361921741573
Energy: 0.552105168205154
Energy: 0.5975797910786473
Energy: 0.594628545598108
Energy: 0.5520125630446782
Energy: 0.6064808720979626
Energy: 0.6288199831290613
Energy: 0.5596222837502799
Energy: 0.5679742366049373
Energy: 0.590324597610214
Energy: 0.5778329204355989
Energy: 0.5909942336162185
Energy: 0.7721962324344421
Energy: 0.6543816561261581
Energy: 0.650441776328584
Energy: 0.7729866428133905
Energy: 0.6467683961664689
Energy: 0.6106986851935248
Energy: 0.5856867467628533
Energy: 0.5718882026620924
Energy: 0.5720075013161555
Energy: 0.5868426434795369
Energy: 0.6244790172959441
Energy: 0.5664238820315046
Energy: 0.5840495095243676
Energy: 0.5635180714571544
Energy: 0.5633377501667307
Energy: 0.5851631792313503
Energy: 0.598955590256978
Energy: 0.5645503186509471
Energy: 0.7058352432260675
Energy: 0.6064348031159714
Energy: 0.6242742411113101
Energy: 0.6187984270296265
Energy: 0.6056098514934286
Energy: 0.6229041537928067
Energy: 0.5237393526203362
Energy: 0.5757929277305364
Energy: 0.5688296726123118
Energy: 0.5523449818426666
Energy: 0.5609010354218195
Energy: 0.5716513011932332
Energy: 0.847249996261553
Energy: 0.5856133901615934
Energy: 0.5865632474107064
Energy: 0.617511680739897
Energy: 0.5823289566432925
Energy: 0.5867277311662116
Energy: 0.6628184057809445
Energy: 0.5628652843255834
Energy: 0.5673669886833521
Energy: 0.5954253291894384
Energy: 0.564355495748363
Energy: 0.5668754207663333
Energy: 0.8753978883828304
Energy: 0.5827576422277185
Energy: 0.5848572663021091
Energy: 0.6361671047913671
Energy: 0.5827062729826876
Energy: 0.6003308710768126
Energy: 0.6715188184786262
Energy: 0.5880632456107989
Energy: 0.5748338884530024
Energy: 0.5940924286423002
Energy: 0.5862462949582041
Energy: 0.6170797790246119
Energy: 0.6176295487759512
Energy: 0.5730919063635492
Energy: 0.5731760555962045
Energy: 0.5628424519243597
Energy: 0.5723603802124171
Energy: 0.5721832411502725
Energy: 0.5374902504099149
Energy: 0.5818724625889482
Energy: 0.5809569770479651
Energy: 0.5377515374070544
Energy: 0.5924188865605069
Energy: 0.5452046592419161
Energy: 0.572234197813445
Energy: 0.572773072611972
Energy: 0.5453489235904442
Energy: 0.5664855964390682
Energy: 0.581277290709255
Energy: 0.5396713836061685
Energy: 0.5653081467638389
Energy: 0.7112032362515128
Energy: 0.7119279725223278
Energy: 0.5654113615464301
Energy: 0.6699777695414898
Energy: 0.7542266613023662
Energy: 0.6356526795287302
Energy: 0.5645748112164594
Energy: 0.5492422599256096
Energy: 0.5577179376777971
Energy: 0.554804310047347
Energy: 0.543505552225497
Energy: 0.5724732295157537
Energy: 0.5629682984470733
Energy: 0.5615021599636277
Energy: 0.5464798614089347
Energy: 0.5514403888793941
Energy: 0.548660956684162
Energy: 0.5717917400943117
Energy: 0.5531468539770237
Energy: 0.5540941843902416
Energy: 0.5509061759039456
Energy: 0.549614373065875
Energy: 0.5672863395695551
Energy: 0.7710118916220942
Energy: 0.5659826025078377
Energy: 0.6072949933718288
Energy: 0.6488189285393394
Energy: 0.5649742053128354
Energy: 0.6286552531193419

minimum gb energy = 0.5232348975904071 eV
minimum distance =  2.59007349894841 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.4360784026740135
Energy: 0.5165528654343596
Energy: 0.42033091915873083
Energy: 0.43492147408312143
Energy: 0.6007161781325178
Energy: 0.42797732212488554
Energy: 0.43660582249366664
Energy: 0.5479380206679251
Energy: 0.5388754479127931
Energy: 0.5842346902415964
Energy: 0.5430991426515317
Energy: 0.5271903853791617
Energy: 0.6004941391348021
Energy: 0.4965440603166663
Energy: 0.5325760811289871
Energy: 0.5496199548021375
Energy: 0.4983835674017996
Energy: 0.5015185208381636
Energy: 0.5772857405006985
Energy: 0.5184956031975118
Energy: 0.532579578329125
Energy: 0.522485028021792
Energy: 0.5552901521266234
Energy: 0.5153046449198871
Energy: 0.5761646587224093
Energy: 0.34148991486083685
Energy: 0.34147322739135105
Energy: 0.5136583006396698
Energy: 0.34192335286666664
Energy: 0.527491741043611
Energy: 0.5832192059847174
Energy: 0.34561294889770466
Energy: 0.34166569582704076
Energy: 0.5866133597767819
Energy: 0.3460183296224157
Energy: 0.35990488432471973
Energy: 0.5756288125161071
Energy: 0.5065613545362081
Energy: 0.5072898841399198
Energy: 0.5084136789968897
Energy: 0.5548013685398171
Energy: 0.5109149198290536
Energy: 0.5253708539180211
Energy: 0.5301340282116591
Energy: 0.5176443097748088
Energy: 0.5099102945708366
Energy: 0.530202885826061
Energy: 0.5147814799657188
Energy: 0.5521463030413425
Energy: 0.5177627498504603
Energy: 0.5314880886970283
Energy: 0.5298363670802321
Energy: 0.516999522735381
Energy: 0.5278395677191725
Energy: 0.3459972840427833
Energy: 0.5421788071687476
Energy: 0.3603985770092571
Energy: 0.34744536659898967
Energy: 0.5448932037759977
Energy: 0.341786362875832
Energy: 0.34049860315967323
Energy: 0.5652232592278134
Energy: 0.579039553236658
Energy: 0.3427299692804987
Energy: 0.5433260334486435
Energy: 0.3416093802453163
Energy: 0.553062052692489
Energy: 0.5193010432634714
Energy: 0.5217162617858138
Energy: 0.5299207075193806
Energy: 0.5205565507450909
Energy: 0.5217750494745412
Energy: 1.0937015532479382
Energy: 0.5430204212311346
Energy: 0.530559340327359
Energy: 0.5210102442091006
Energy: 0.5440506982124942
Energy: 0.5306139724936711
Energy: 0.5878106098595692
Energy: 0.5104558353152179
Energy: 0.5040592389489686
Energy: 0.531606615776348
Energy: 0.556467724477717
Energy: 0.5345538640706671
Energy: 0.599587611805457
Energy: 0.34174122096271653
Energy: 0.3449093210753865
Energy: 0.5736558203461958
Energy: 0.34197511989404294
Energy: 0.3568666695875338
Energy: 0.5641990294576092
Energy: 0.527266205640929
Energy: 0.529587778136015
Energy: 0.49601008221664666
Energy: 0.34155833397192537
Energy: 0.49727293790716004
Energy: 0.5625630328962726
Energy: 0.5600093375156421
Energy: 0.5232291072179167
Energy: 0.5434111444344178
Energy: 0.5536136433030386
Energy: 0.52243730095125
Energy: 0.5976620664478471
Energy: 0.5169698326959028
Energy: 0.5141322992330258
Energy: 0.5265536003472114
Energy: 0.5135098135094218
Energy: 0.5139547227094949
Energy: 0.43656874572584503
Energy: 0.5602427874626558
Energy: 0.5326114880547878
Energy: 0.42955562538818537
Energy: 0.5773791919811999
Energy: 0.5723680308510761

minimum gb energy = 0.34049860315967323 eV
minimum distance =  2.59390499836151 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.8709456132185524
Energy: 0.856858910923011
Energy: 0.7241688096315051
Energy: 0.6846226473259487
Energy: 0.8506325157404769
Energy: 0.7073808709238409
Energy: 0.5961246486481617
Energy: 0.5410441722164419
Energy: 0.5397766990175924
Energy: 0.5148942500048318
Energy: 0.5361690346318361
Energy: 0.5390046683768507
Energy: 0.5248989169042206
Energy: 0.5219362136803554
Energy: 0.5224727156168857
Energy: 0.5248334862465094
Energy: 0.5250764285315843
Energy: 0.5312091239307883
Energy: 0.5261852435319329
Energy: 0.5340082693819117
Energy: 0.513302637016509
Energy: 0.5293452460000176
Energy: 0.5310165343200066
Energy: 0.5249799935187593
Energy: 0.5653367152450064
Energy: 0.5215923080996756
Energy: 0.517747539273899
Energy: 0.5431653722828105
Energy: 0.545493878182701
Energy: 0.5288745768047886
Energy: 0.5880104322258489
Energy: 0.6804843508422491
Energy: 0.6824066819023014
Energy: 0.5514237035322919
Energy: 0.6703240860363352
Energy: 0.5898275477640343
Energy: 0.6239952671583887
Energy: 0.5601127845085301
Energy: 0.534167655358285
Energy: 0.536796259513481
Energy: 0.5539563893549679
Energy: 0.5391267506782168
Energy: 0.5380199776091716
Energy: 0.5274572816802666
Energy: 0.5396008055345324
Energy: 0.5422762398742653
Energy: 0.525639537143765
Energy: 0.5558161820042767
Energy: 0.631134004766321
Energy: 0.5345476089423488
Energy: 0.5330675091422621
Energy: 0.5362302490438379
Energy: 0.5428401648256633
Energy: 0.5350710491957866
Energy: 0.7533132134110916
Energy: 0.5369146958358193
Energy: 0.5239966637667646
Energy: 0.6388817524134782
Energy: 0.5486525719384014
Energy: 0.6622012046786331
Energy: 0.7549030795544096
Energy: 0.5240021739903953
Energy: 0.525356144446946
Energy: 0.5475665471923048
Energy: 0.5192794663390047
Energy: 0.5233517013141935
Energy: 0.6512197461571014
Energy: 0.5594715130557939
Energy: 0.5507138490567771
Energy: 0.5358371865756687
Energy: 0.5606398002044847
Energy: 0.535933909990009
Energy: 0.5728420163591669
Energy: 0.5872172149892958
Energy: 0.5867103107327677
Energy: 0.5747257337559124
Energy: 0.6104034054128237
Energy: 0.5390130542648196
Energy: 0.5665801217727215
Energy: 0.5045270094090035
Energy: 0.5588780100391798
Energy: 0.5621542191562439
Energy: 0.5180935755801792
Energy: 0.5319285051339222
Energy: 0.6997675658730476
Energy: 0.6420870841199343
Energy: 0.6326658407441512
Energy: 0.7009059924414536
Energy: 0.6455747430641917
Energy: 0.69953733034488
Energy: 0.7434126429206785
Energy: 0.5274131189525506
Energy: 0.5528071212866604
Energy: 0.5437671185428148
Energy: 0.5610062456191744
Energy: 0.5247615603770026
Energy: 0.6644339831615864
Energy: 0.5899176225975142
Energy: 0.6431782204717086
Energy: 0.6110679182347747
Energy: 0.6730079823350892
Energy: 0.6692127400386144
Energy: 0.7569918112290155
Energy: 0.5277962292608666
Energy: 0.5218015309604948
Energy: 0.5464473487077808
Energy: 0.576013499159351
Energy: 0.5095846338994486
Energy: 0.7217870159156464
Energy: 0.5271114599712335
Energy: 0.5289426211444336
Energy: 0.5331048524551576
Energy: 0.5733009225355921
Energy: 0.5290061569487731
Energy: 0.6025485249104124
Energy: 0.5890794542896501
Energy: 0.5933796619528188
Energy: 0.5790583357998664
Energy: 0.5899321759609237
Energy: 0.6291612991632083
Energy: 0.7287715628498965
Energy: 0.5470851731691692
Energy: 0.5324569233167039
Energy: 0.5726133514694753
Energy: 0.5374426607862692
Energy: 0.5127924054287856
Energy: 0.7864560257882182
Energy: 0.6324609063068628
Energy: 0.6830649980921071
Energy: 0.8075559580286121
Energy: 0.6201950994613662
Energy: 0.6554748327461023
Energy: 0.5459846627810767
Energy: 0.5339900034954289
Energy: 0.5293584030128735
Energy: 0.5440094787194437
Energy: 0.5190710214477775
Energy: 0.531519363089516
Energy: 0.5284422509388117
Energy: 0.5586242174715256
Energy: 0.5615689787228152
Energy: 0.5318586967864449
Energy: 0.5749932049356549
Energy: 0.534963391281059
Energy: 0.5275169119173975
Energy: 0.5756390997893688
Energy: 0.5743090844393445
Energy: 0.5425556470379244
Energy: 0.5772368808000229
Energy: 0.5683691183308904
Energy: 0.7453073116899023
Energy: 0.537231481662793
Energy: 0.5490845623884474
Energy: 0.5451572725743898
Energy: 0.5857338799968362
Energy: 0.522712414694441

minimum gb energy = 0.5045270094090035 eV
minimum distance =  2.54036536757689 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 0.8445276035741266
Energy: 0.7081544426013004
Energy: 0.7090384416719588
Energy: 0.6330947338004879
Energy: 0.8138503551880494
Energy: 0.618577051700821
Energy: 0.6615299983497536
Energy: 0.556609867051283
Energy: 0.5568306042856104
Energy: 0.5461861717559479
Energy: 0.5612641728503265
Energy: 0.5401009945169013
Energy: 0.5579473980012555
Energy: 0.5445543256907408
Energy: 0.542134421214754
Energy: 0.5447830820789762
Energy: 0.5567785777009014
Energy: 0.5632496810839108
Energy: 0.5625721625745547
Energy: 0.5445384978004331
Energy: 0.5404806863180072
Energy: 0.5543776798157625
Energy: 0.5456452922014823
Energy: 0.5496586981444471
Energy: 0.5941435178121681
Energy: 0.5503201391095502
Energy: 0.5496666953797648
Energy: 0.5913822830222731
Energy: 0.5434604562849463
Energy: 0.5171650161592171
Energy: 0.7337463758230897
Energy: 0.6934202785258647
Energy: 0.6927587318251986
Energy: 0.5644402581362595
Energy: 0.68541409697854
Energy: 0.6723701504511851
Energy: 0.7002019487045459
Energy: 0.5609588416897732
Energy: 0.5229692617267244
Energy: 0.5618617385430511
Energy: 0.5565645866310045
Energy: 0.5561508339667505
Energy: 0.5834490195490597
Energy: 0.5617693391387651
Energy: 0.5788898554447672
Energy: 0.5879395219986658
Energy: 0.5583211493058763
Energy: 0.5624886230989511
Energy: 0.7017152751797374
Energy: 0.5624820869459807
Energy: 0.5428211210596281
Energy: 0.5356637039688988
Energy: 0.5617339721650119
Energy: 0.5431318268388987
Energy: 0.6819445625248628
Energy: 0.5660548774612725
Energy: 0.5679684683029737
Energy: 0.6196504477810502
Energy: 0.66566334799335
Energy: 0.5496538400195135
Energy: 0.6761150787514894
Energy: 0.5713543791673049
Energy: 0.5361386318530303
Energy: 0.6133433129345802
Energy: 0.5713374165126659
Energy: 0.5275539104703582
Energy: 0.7257202144361868
Energy: 0.591276788399262
Energy: 0.5776630440284624
Energy: 0.5670682987565534
Energy: 0.6227827347540854
Energy: 0.5525839766193426
Energy: 0.5827653291889423
Energy: 0.6289114656829043
Energy: 0.623078356210776
Energy: 0.5810020995130956
Energy: 0.6516662252531814
Energy: 0.6232700918475962
Energy: 0.555566485243018
Energy: 0.5358153545196594
Energy: 0.5430444972004564
Energy: 0.551806244625434
Energy: 0.5349222984342534
Energy: 0.5425442868186897
Energy: 0.5627939242384921
Energy: 0.6556885025971496
Energy: 0.5904906095073689
Energy: 0.5650960967871124
Energy: 0.6617773624877051
Energy: 0.574253082224596
Energy: 0.6325073699469933
Energy: 0.56377362608922
Energy: 0.5274968181526423
Energy: 0.5418069300304051
Energy: 0.5671705965186546
Energy: 0.5402287443196756
Energy: 0.7792225360236827
Energy: 0.7364462874133553
Energy: 0.7325118436167143
Energy: 0.6473083555262322
Energy: 0.6633695049084252
Energy: 0.6372955227115759
Energy: 0.5992153507935568
Energy: 0.5567180496255972
Energy: 0.5594518546435566
Energy: 0.5655223634831051
Energy: 0.5602709423494566
Energy: 0.5089018062806098
Energy: 0.5611950716816995
Energy: 0.5533308915741348
Energy: 0.5481818495625878
Energy: 0.5521202696513889
Energy: 0.5588031516848327
Energy: 0.5500776729803458
Energy: 0.56056795127076
Energy: 0.5570036304294899
Energy: 0.5554250762366246
Energy: 0.5606799741914278
Energy: 0.5552249352654021
Energy: 0.5615616465634277
Energy: 0.5808842786850854
Energy: 0.5256832970152311
Energy: 0.523356002316809
Energy: 0.5739973081764743
Energy: 0.5376302546296061
Energy: 0.5187885812111791
Energy: 0.7629328505449688
Energy: 0.7358410017302649
Energy: 0.697086988457179
Energy: 0.761243283468639
Energy: 0.6778683848321233
Energy: 0.6831392118363336
Energy: 0.7212505198408571
Energy: 0.5424813003180113
Energy: 0.5570587721934402
Energy: 0.5627671442666896
Energy: 0.5530910095761231
Energy: 0.5356705575323649
Energy: 0.5837968352435422
Energy: 0.5790377765335731
Energy: 0.5790098105065085
Energy: 0.5882464040782566
Energy: 0.5774465577859128
Energy: 0.5635266070333039
Energy: 0.6968894285651875
Energy: 0.5493194362699532
Energy: 0.5504665924185844
Energy: 0.5340827020362081
Energy: 0.5519324165378585
Energy: 0.5492928546055884
Energy: 0.6842878037916392
Energy: 0.5683654147610273
Energy: 0.5551215083752564
Energy: 0.6138591359941072
Energy: 0.5668590850148956
Energy: 0.520620985680153
Energy: 0.6823001903679984
Energy: 0.5935876913185577
Energy: 0.5692315125776577
Energy: 0.6194059861016185
Energy: 0.6727788231757
Energy: 0.5515592519724599
Energy: 0.7716525033921878
Energy: 0.522904393089024
Energy: 0.5518606809835791
Energy: 0.5408384983722623
Energy: 0.5096149937697718
Energy: 0.5267296361837492
Energy: 0.5847890072137657
Energy: 0.6394125198921776
Energy: 0.6389356945952286
Energy: 0.5839344465825059
Energy: 0.6400477248899679
Energy: 0.6169865903350658
Energy: 0.5696438542917364
Energy: 0.5252301627012789
Energy: 0.5441386823475908
Energy: 0.5676967086450526
Energy: 0.5421607007221877
Energy: 0.5438786420620715
Energy: 0.5584661348119611
Energy: 0.5970124199608376
Energy: 0.5964496306389923
Energy: 0.5587786447202515
Energy: 0.6219288281708919
Energy: 0.5866181694587745
Energy: 0.5684527929600296
Energy: 0.5483850645801258
Energy: 0.5490130559525381
Energy: 0.5655535062802951
Energy: 0.5512831950567927
Energy: 0.5525883577603861
Energy: 0.7759015898682655
Energy: 0.5404852387041654
Energy: 0.5359273961351417
Energy: 0.6453394765744737
Energy: 0.5914938156132257
Energy: 0.5214405133732749

minimum gb energy = 0.5089018062806098 eV
minimum distance =  2.56880387960031 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.6925563773147412
Energy: 0.6783273556170049
Energy: 0.6715279938989817
Energy: 0.6818965186841305
Energy: 0.7707229794167981
Energy: 0.6724810977238302
Energy: 0.8281353135762478
Energy: 0.5297828851614651
Energy: 0.5287018772025748
Energy: 0.521624422040403
Energy: 0.5401341967620213
Energy: 0.5292143880197849
Energy: 0.5985420631412776
Energy: 0.558027339683043
Energy: 0.5717067934654066
Energy: 0.5861414366535941
Energy: 0.5818115651503875
Energy: 0.5819161717773964
Energy: 0.5905841553692377
Energy: 0.528255552901064
Energy: 0.5266172462207007
Energy: 0.571027890372645
Energy: 0.5297834074588159
Energy: 0.5682083777108464
Energy: 0.7429052893535396
Energy: 0.6816369843242499
Energy: 0.5228912305140762
Energy: 0.7436534598286686
Energy: 0.5966660198734954
Energy: 0.5318572422791661
Energy: 0.7185660245285672
Energy: 0.6838883681543335
Energy: 0.6409523137889427
Energy: 0.620775293722464
Energy: 0.6977547636965603
Energy: 0.6151474957401353
Energy: 0.7625023934935123
Energy: 0.537617348573457
Energy: 0.5437355414961577
Energy: 0.5690206497752005
Energy: 0.5239933306977496
Energy: 0.5600374900810017
Energy: 0.6339924798057552
Energy: 0.6106297296184219
Energy: 0.5509793756735694
Energy: 0.638139675808415
Energy: 0.6091003028603196
Energy: 0.5395226764651568
Energy: 0.6600846300820224
Energy: 0.5210783838235403
Energy: 0.5223714735662138
Energy: 0.5204584656253258
Energy: 0.5211714479194931
Energy: 0.5235773196433223
Energy: 0.7649409569429096
Energy: 0.6164747077797388
Energy: 0.6092471217712359
Energy: 0.7017553642225788
Energy: 0.6169758132739814
Energy: 0.6079065044707955
Energy: 0.7643273868338045
Energy: 0.5409322522599098
Energy: 0.5278163617191435
Energy: 0.570942257701116
Energy: 0.5266296527992418
Energy: 0.567491338219128
Energy: 0.6489084772967559
Energy: 0.5180761729893364
Energy: 0.5202898994920764
Energy: 0.6607909970896368
Energy: 0.6095435604100948
Energy: 0.5200240534095809
Energy: 0.6547664344712584
Energy: 0.7641984229756651
Energy: 0.5994067569858977
Energy: 0.6559040403713639
Energy: 0.6659273706601019
Energy: 0.6694319661790405
Energy: 0.5949453445726378
Energy: 0.5444426855949922
Energy: 0.5263770246526592
Energy: 0.5708930252985318
Energy: 0.5385783425395141
Energy: 0.5616083516484504
Energy: 0.5392650739636443
Energy: 0.5667588552747007
Energy: 0.5548170995050087
Energy: 0.5893209609359272
Energy: 0.5907921073738314
Energy: 0.5545479723794016
Energy: 0.5968490086071047
Energy: 0.5669177651150561
Energy: 0.5627234794160016
Energy: 0.5462868070613004
Energy: 0.5668155899180479
Energy: 0.5597086676958499
Energy: 0.7630620916540243
Energy: 0.6207216678630458
Energy: 0.5953788851681546
Energy: 0.6979874079899374
Energy: 0.6195514376643422
Energy: 0.6041019246887808
Energy: 0.7639381392776138
Energy: 0.5219765052916931
Energy: 0.5214576006383734
Energy: 0.6943529673636372
Energy: 0.5395712153761665
Energy: 0.5235127274813938
Energy: 0.672572934056588
Energy: 0.6118308110289843
Energy: 0.6078927113864091
Energy: 0.5636303187499573
Energy: 0.6137952702919007
Energy: 0.5269205424089077
Energy: 0.5744706859357601
Energy: 0.6119198666702128
Energy: 0.6075697745617455
Energy: 0.5704272203172717
Energy: 0.6059119850634669
Energy: 0.52848240210611
Energy: 0.5362592894392716
Energy: 0.520863045108392
Energy: 0.522226001983872
Energy: 0.5321604456953618
Energy: 0.5379921304581294
Energy: 0.5224462582474017
Energy: 0.6107475139278807
Energy: 0.6124578486096081
Energy: 0.6071531284130155
Energy: 0.612244049539582
Energy: 0.670084044770049
Energy: 0.606611315224715
Energy: 0.6702747531242027
Energy: 0.5284532604331471
Energy: 0.5273678108226366
Energy: 0.5299893928729548
Energy: 0.5717163156057861
Energy: 0.5235592923153269
Energy: 0.694394380752328
Energy: 0.6608373408162286
Energy: 0.6699524656181218
Energy: 0.6715659677307534
Energy: 0.659571091549286
Energy: 0.6705514700015259
Energy: 0.8183551477474222
Energy: 0.5308527348703388
Energy: 0.530466878989319
Energy: 0.5182534301708444
Energy: 0.5785272768989128
Energy: 0.5316918588965903
Energy: 0.5973800369201834
Energy: 0.5695164279291419
Energy: 0.5695499742983814
Energy: 0.5774138395486967
Energy: 0.5712807656953938
Energy: 0.5595052048849418
Energy: 0.5935904554120874
Energy: 0.5629475930917126
Energy: 0.5281129528443682
Energy: 0.5843493348630407
Energy: 0.5650760725667653
Energy: 0.5695095862705261
Energy: 0.7440016391111159
Energy: 0.5219150144254983
Energy: 0.5298642003128713
Energy: 0.5686271379810778
Energy: 0.5932946428063309
Energy: 0.5300853587579043
Energy: 0.7865535409545604
Energy: 0.6994379975027363
Energy: 0.6071821801595825
Energy: 0.7814438393122761
Energy: 0.6973020111009819
Energy: 0.6069206082798971
Energy: 0.7159133258844153
Energy: 0.5228577189506719
Energy: 0.5587205579359703
Energy: 0.5665850447220536
Energy: 0.5354403537077417
Energy: 0.5608511334460212
Energy: 0.6337990317225852
Energy: 0.609785718366589
Energy: 0.5503894428359001
Energy: 0.637691367666442
Energy: 0.6150963365839258
Energy: 0.5757578663792018
Energy: 0.7166414706066652
Energy: 0.5220494051918371
Energy: 0.5242386326191273
Energy: 0.5923478971765637
Energy: 0.5220815128718888
Energy: 0.5221792398348213
Energy: 0.7670744763603262
Energy: 0.6011690853431212
Energy: 0.5350789783641957
Energy: 0.5937814883239179
Energy: 0.6010896738991223
Energy: 0.5223733465770585
Energy: 0.766678547814886
Energy: 0.5964057936304
Energy: 0.5751013493560058
Energy: 0.6940421993259518
Energy: 0.5942379417855035
Energy: 0.5781931040483109
Energy: 0.6469426904341528
Energy: 0.520393296870043
Energy: 0.5302165190993647
Energy: 0.5983613834918754
Energy: 0.5182998961180637
Energy: 0.5301413160866149
Energy: 0.6552767035529518
Energy: 0.6647659049271126
Energy: 0.665914378595396
Energy: 0.6553941110364639
Energy: 0.663949896582043
Energy: 0.6699773749691175
Energy: 0.602482603209825
Energy: 0.5280144248354627
Energy: 0.5259079170583709
Energy: 0.5840707335045519
Energy: 0.545824265673877
Energy: 0.5257896756666706
Energy: 0.5433924922538714
Energy: 0.5647255334406751
Energy: 0.5547759978349563
Energy: 0.5362858663212273
Energy: 0.5887831123471187
Energy: 0.5543489495410986
Energy: 0.5946647414073577
Energy: 0.5658093278979417
Energy: 0.561273319765946
Energy: 0.5450307628648782
Energy: 0.573074974570997
Energy: 0.5594302122601293
Energy: 0.769288269211375
Energy: 0.6202716174772809
Energy: 0.575879379628217
Energy: 0.69818565546767
Energy: 0.6193632854776028
Energy: 0.675452171718421
Energy: 0.7629241406576657
Energy: 0.5259312554489315
Energy: 0.5208372079590291
Energy: 0.6243789789697276
Energy: 0.7629773914174457
Energy: 0.5248587158168737
Energy: 0.6731973514272042
Energy: 0.6123449268806767
Energy: 0.607942184928357
Energy: 0.5617189264955833
Energy: 0.6140838645821086
Energy: 0.5662165779163439
Energy: 0.5786920038491785
Energy: 0.6125314693278932
Energy: 0.6092634005114325
Energy: 0.5749087396826185
Energy: 0.6176921551116441
Energy: 0.5271130898201684
Energy: 0.5461708350634706
Energy: 0.5205828100159039
Energy: 0.5220005897105291
Energy: 0.5330610388481181
Energy: 0.5298722856310583
Energy: 0.522989995197164
Energy: 0.6058970475956691
Energy: 0.6105855115819293
Energy: 0.6076212492236297
Energy: 0.6074650198432768
Energy: 0.6696305576634297
Energy: 0.60610244338333
Energy: 0.6692547506136893
Energy: 0.5627659877770356
Energy: 0.5260772936220881
Energy: 0.56906762900022
Energy: 0.5717724760707333
Energy: 0.5220678208268992
Energy: 0.8900443215963233
Energy: 0.754483306436268
Energy: 0.6700326020747607
Energy: 0.6686586407990832
Energy: 0.6507624451920383
Energy: 0.6730663544537984

minimum gb energy = 0.5180761729893364 eV
minimum distance =  2.61726950886604 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.7028832060734378
Energy: 0.52765878985607
Energy: 0.4131439248635384
Energy: 0.7080561563386413
Energy: 0.6603455487669575
Energy: 0.41203260049203966
Energy: 0.7429885978880775
Energy: 0.39292748797626276
Energy: 0.39169947118133114
Energy: 0.3912410591048218
Energy: 0.3909467145350673
Energy: 0.39153508128066394
Energy: 0.5443937951497053
Energy: 0.3700180588750715
Energy: 0.39234852759187444
Energy: 0.3929977879230234
Energy: 0.36948745342338735
Energy: 0.39188489987940023
Energy: 0.543052900346768
Energy: 0.3929639414175336
Energy: 0.39446028505738845
Energy: 0.3944080334459891
Energy: 0.3921631953568232
Energy: 0.3959125319107868
Energy: 0.563118350774322
Energy: 0.3922509070090635
Energy: 0.3963220869767092
Energy: 0.5506809706732154
Energy: 0.39180867505633005
Energy: 0.39236413513927015
Energy: 0.5870232173459633
Energy: 0.38809224192781383
Energy: 0.39182176786607115
Energy: 0.5868585654403913
Energy: 0.38764658709706024
Energy: 0.5892444188240569
Energy: 0.7433531867661758
Energy: 0.3931777915393331
Energy: 0.3929546543409291
Energy: 0.3697302290950696
Energy: 0.390734179946071
Energy: 0.3937827117454813

minimum gb energy = 0.36948745342338735 eV
minimum distance =  2.70588920615453 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 0.8458438903398595
Energy: 0.8404694887680381
Energy: 0.669906140462382
Energy: 0.4909364646404572
Energy: 0.8642427269762486
Energy: 0.7279120417420935
Energy: 0.49777982115240793
Energy: 0.5628916350558811
Energy: 0.5488811668912487
Energy: 0.5350524000094414
Energy: 0.5505490124578016
Energy: 0.5081789358364495
Energy: 0.6677846000711588
Energy: 0.5246717977307188
Energy: 0.6400186475377214
Energy: 0.6690928021687069
Energy: 0.5246839240878127
Energy: 0.5838586372747987
Energy: 0.47208150539501165
Energy: 0.49783847713197615
Energy: 0.4985953198150502
Energy: 0.47323176044302356
Energy: 0.5245935140340994
Energy: 0.46916576189850123
Energy: 0.4826060790722069
Energy: 0.5446714139811347
Energy: 0.5597806016968617
Energy: 0.48147742074206173
Energy: 0.5336183407623268
Energy: 0.47648675691429315
Energy: 0.631043642767239
Energy: 0.5370425213133441
Energy: 0.5543659791391111
Energy: 0.640333125202158
Energy: 0.5641945366667178
Energy: 0.5837371683933793
Energy: 0.4970030007668202
Energy: 0.5600311041596995
Energy: 0.5358541284248306
Energy: 0.51358753469086
Energy: 0.5593801578563142
Energy: 0.5371560829872414
Energy: 0.7892651275861351
Energy: 0.7815773792509396
Energy: 0.7063840523904481
Energy: 0.4968699942023406
Energy: 0.7849479542290025
Energy: 0.7012346013947476
Energy: 0.5045628455869887
Energy: 0.5654209208453187
Energy: 0.5329638446674037
Energy: 0.5370115253890378
Energy: 0.5064746702115972
Energy: 0.5354412925745747
Energy: 0.7891206514807084
Energy: 0.46609533211656207
Energy: 0.6005015071756735
Energy: 0.7827519036452046
Energy: 0.4663030721001762
Energy: 0.6930177457808708
Energy: 0.5659464321894498
Energy: 0.5242233209464985
Energy: 0.5361991466915984
Energy: 0.5664160310670583
Energy: 0.47796767488743835
Energy: 0.5376047926332085
Energy: 0.5725368190719295
Energy: 0.5576333266787246
Energy: 0.5605203728103517
Energy: 0.5575364852971372
Energy: 0.6218345074945953
Energy: 0.5493130653878997
Energy: 0.5813496391450359
Energy: 0.47643487873237284
Energy: 0.5277046117150243
Energy: 0.6042536591311212
Energy: 0.48549764843705284
Energy: 0.5392535123226948
Energy: 0.5756894683825328
Energy: 0.4717526703775854
Energy: 0.46705019062675507
Energy: 0.5546226083729625
Energy: 0.4681515368181484
Energy: 0.46929226302743265
Energy: 0.6903644376028296
Energy: 0.5638207552349362
Energy: 0.6190619282854499
Energy: 0.6398267854119992
Energy: 0.564417780332802
Energy: 0.5928790043573139
Energy: 0.5712274391276332
Energy: 0.501449300467274
Energy: 0.5006354788877028
Energy: 0.5719746633690782
Energy: 0.5548240851040165
Energy: 0.5012319933663566
Energy: 0.799434074503989
Energy: 0.5579960333193573
Energy: 0.6197483202013802
Energy: 0.7999255850153982
Energy: 0.5572921976929733
Energy: 0.7353719462323138
Energy: 0.6075887217074888
Energy: 0.538918589079544
Energy: 0.5149430111367165
Energy: 0.608085807301309
Energy: 0.6146115852786863
Energy: 0.5435373922339799
Energy: 0.5687378941233461
Energy: 0.5387443924745013
Energy: 0.5337385646564908
Energy: 0.5417961463334741
Energy: 0.6441718343895132
Energy: 0.5213546743457232
Energy: 0.5698490527406194
Energy: 0.5163548120533724
Energy: 0.5109119234879599
Energy: 0.5420464074714552
Energy: 0.517492399989399
Energy: 0.4666687196630797
Energy: 0.5327917870798115
Energy: 0.512425579797077
Energy: 0.5130055241988217
Energy: 0.5147542677073845
Energy: 0.5223457851989937
Energy: 0.5204144298037816
Energy: 0.6075970542067279
Energy: 0.6501543902499706
Energy: 0.6366159783479571
Energy: 0.5853056869133447
Energy: 0.6418898920643521
Energy: 0.6294207902337349
Energy: 0.5104194056714733
Energy: 0.5539827967668597
Energy: 0.5021836972608898
Energy: 0.5114726229918729
Energy: 0.5714163184310037
Energy: 0.5066388966996903
Energy: 0.5492448259675289
Energy: 0.5735638895863239
Energy: 0.6770881680285679
Energy: 0.5492885662635862
Energy: 0.57391529281181
Energy: 0.5482095369690502
Energy: 0.5681956667605844
Energy: 0.5010842197514035
Energy: 0.4982676369558539
Energy: 0.5792733105896049
Energy: 0.5569277042146166
Energy: 0.5009554487017491
Energy: 0.6975343816249671
Energy: 0.661653457280203
Energy: 0.6714600784964734
Energy: 0.5239440007163253
Energy: 0.6691133702809632
Energy: 0.6253688530931103
Energy: 0.4719354374305118
Energy: 0.6691655169038946
Energy: 0.6711773862524848
Energy: 0.5233938500195171
Energy: 0.6601908324287699
Energy: 0.6000919573259538
Energy: 0.6549785615829542
Energy: 0.4977643806104874
Energy: 0.4973928306987988
Energy: 0.5610464133395294
Energy: 0.5515737689081188
Energy: 0.5019132385195575
Energy: 0.482840979225745
Energy: 0.5248381251758347
Energy: 0.4990765134474572
Energy: 0.4689861737421547
Energy: 0.5254857713026602
Energy: 0.46996880493382237
Energy: 0.4655155301462299
Energy: 0.5355453157121235
Energy: 0.46488631192930063
Energy: 0.46674221994202947
Energy: 0.5524449052722977
Energy: 0.46553608395527496
Energy: 0.534441083883259
Energy: 0.6588683118428463
Energy: 0.6676107419566544
Energy: 0.477969847413671
Energy: 0.6627094001400705
Energy: 0.656046807708994
Energy: 0.5117671559156284
Energy: 0.5365680453242461
Energy: 0.5342335166100632
Energy: 0.6022290942969796
Energy: 0.549986678251318
Energy: 0.5367776792154363
Energy: 0.7720643933771536
Energy: 0.5684664282745037
Energy: 0.616701835694943
Energy: 0.5035012185807278
Energy: 0.613277906673474
Energy: 0.587949694711515
Energy: 0.5257076921383496
Energy: 0.5643154538364366
Energy: 0.5592129979896302
Energy: 0.5345513078491534
Energy: 0.5489059436667171
Energy: 0.5503691304350854
Energy: 0.5501657437825583
Energy: 0.5243505050205863
Energy: 0.5361863785688987
Energy: 0.5554247962229117
Energy: 0.5589556208185285
Energy: 0.5474240172944965
Energy: 0.6932667673831275
Energy: 0.4662108939484503
Energy: 0.4994662194665267
Energy: 0.6935358658859595
Energy: 0.4662932351995599
Energy: 0.6655407352550261
Energy: 0.575348520342044
Energy: 0.5649613307009704
Energy: 0.5361771302345748
Energy: 0.5662689714892887
Energy: 0.5656621141080446
Energy: 0.534971943220342
Energy: 0.6601559506606123
Energy: 0.6272732737019098
Energy: 0.6659066037576853
Energy: 0.6353132112230561
Energy: 0.5382699350110633
Energy: 0.6629839778782435
Energy: 0.5775219806815662
Energy: 0.4718872263253338
Energy: 0.4656239489459618
Energy: 0.5558674674043648
Energy: 0.46922556534547355
Energy: 0.4710686351393847
Energy: 0.679593732529423
Energy: 0.46895828838417497
Energy: 0.469308078398084
Energy: 0.5576470267484739
Energy: 0.46849903245964686
Energy: 0.49762462476298197
Energy: 0.5670556140501503
Energy: 0.5280597608312005
Energy: 0.5317305082827347
Energy: 0.5566864220985897
Energy: 0.5347464504571038
Energy: 0.4976103943081742
Energy: 0.634852904891186
Energy: 0.540005210309376
Energy: 0.5501162969140386
Energy: 0.6350014327320762
Energy: 0.5056852341864143
Energy: 0.5509925495771566
Energy: 0.7936385560168128
Energy: 0.5720755809063286
Energy: 0.6498220544124914
Energy: 0.794432748300671
Energy: 0.5335431695074659
Energy: 0.7389557767482764
Energy: 0.5277849745645663
Energy: 0.5270231885786371
Energy: 0.5199272569036184
Energy: 0.5538451329089109
Energy: 0.5387192527751672
Energy: 0.49875266760000525
Energy: 0.735934912022168
Energy: 0.5502642979494733
Energy: 0.6127988301195308
Energy: 0.5948893530729759
Energy: 0.5498906977741855
Energy: 0.6920343365151874
Energy: 0.5256016218518826
Energy: 0.5137760751091996
Energy: 0.5042275153164966
Energy: 0.5728794033233696
Energy: 0.5125358072492445
Energy: 0.49994076537668114
Energy: 0.6345354181872405
Energy: 0.5109526321972239
Energy: 0.5955843936191936
Energy: 0.6388406559636669
Energy: 0.5942685001633782
Energy: 0.5972364231958409
Energy: 0.5327100226618344
Energy: 0.5877883432957636
Energy: 0.5686351417237088
Energy: 0.5334356191419013
Energy: 0.575228666621123
Energy: 0.520904749982129
Energy: 0.5148023482365122
Energy: 0.4979326260316272
Energy: 0.5097230427650142
Energy: 0.5158975702144563
Energy: 0.5034932820271038
Energy: 0.5100081409613539
Energy: 0.6727369593298063
Energy: 0.49754780763483747
Energy: 0.5245203529286591
Energy: 0.6772386978653714
Energy: 0.503023949823359
Energy: 0.5026768540943656
Energy: 0.5261398224496859
Energy: 0.5772817423234112
Energy: 0.5558036272538137
Energy: 0.5724474864408313
Energy: 0.5181032504526465
Energy: 0.50900496618927

minimum gb energy = 0.46488631192930063 eV
minimum distance =  2.61217273926752 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 0.9278552847350583
Energy: 0.5734833140343113
Energy: 0.5673943564741675
Energy: 0.5259514052565405
Energy: 0.681536150337789
Energy: 0.7356474357274932
Energy: 0.5019340109601497
Energy: 0.5877116358665743
Energy: 0.5692923954718995
Energy: 0.5280467366138328
Energy: 0.5493402481214521
Energy: 0.549283200134741
Energy: 0.6665308760616914
Energy: 0.6030257747742432
Energy: 0.6332046158284398
Energy: 0.6036332408020796
Energy: 0.6058663697819767
Energy: 0.5826140911155993
Energy: 0.5289235826972839
Energy: 0.5330886063493293
Energy: 0.5760966788412606
Energy: 0.5266659894086901
Energy: 0.5341955391821314
Energy: 0.5298891224689425
Energy: 0.5302744115863679
Energy: 0.559021421248436
Energy: 0.5590611661062994
Energy: 0.5329184861625847
Energy: 0.5642572282968885
Energy: 0.5576822443687418
Energy: 0.6940381158108729
Energy: 0.5645576439537279
Energy: 0.6385182728492228
Energy: 0.6771756508498094
Energy: 0.5622737535552474
Energy: 0.6819572972586653
Energy: 0.5545547265540225
Energy: 0.5726637695722703
Energy: 0.5928943221193851
Energy: 0.5257312148463685
Energy: 0.540310084049837
Energy: 0.5396961843600334
Energy: 0.7747643842296333
Energy: 0.851709063771411
Energy: 0.8731455546143265
Energy: 0.5649492637540342
Energy: 0.8402604711420516
Energy: 0.5563046340916645
Energy: 0.5481016349961502
Energy: 0.5872627438014617
Energy: 0.5910781523273049
Energy: 0.535530934803146
Energy: 0.5578433995507998
Energy: 0.550790248090818
Energy: 0.5782610606278162
Energy: 0.475498695530162
Energy: 0.5944573791785291
Energy: 0.5723180222713004
Energy: 0.4765014436872074
Energy: 0.6215865948433219
Energy: 0.5559511390326661
Energy: 0.47547047100208223
Energy: 0.4754253670543494
Energy: 0.5659681865441267
Energy: 0.4752685969262853
Energy: 0.5469268789421389
Energy: 0.5885385928815003
Energy: 0.6079161085332359
Energy: 0.598839787520355
Energy: 0.5288237135555374
Energy: 0.595541122259461
Energy: 0.5923661406287087
Energy: 0.6187368655736071
Energy: 0.515033787335192
Energy: 0.5087882361825076
Energy: 0.6065480109792438
Energy: 0.5994896801944305
Energy: 0.5996506052341783
Energy: 0.5678541349166757
Energy: 0.5358257605284366
Energy: 0.5367696212912197
Energy: 0.5570560227639839
Energy: 0.5314447336376226
Energy: 0.535900912569187
Energy: 0.7342663434085461
Energy: 0.5925120516809891
Energy: 0.6861216370089905
Energy: 0.5348150919496196
Energy: 0.7314479660728327
Energy: 0.7204189825346778
Energy: 0.5518618090868348
Energy: 0.5448923975933287
Energy: 0.545346191976184
Energy: 0.5505873727523509
Energy: 0.5405620332043407
Energy: 0.5485690121703952
Energy: 0.7911669656346869
Energy: 0.5314025362052994
Energy: 0.6583020813185435
Energy: 0.7918324189731107
Energy: 0.5312703955346658
Energy: 0.6635921187718127
Energy: 0.5021702666383434
Energy: 0.5361030968215917
Energy: 0.565985748481393
Energy: 0.5482588489573847
Energy: 0.5426919310577074
Energy: 0.6238858251090166
Energy: 0.4517286615560105
Energy: 0.5561614862216767
Energy: 0.4735401934193443
Energy: 0.4508343946770941
Energy: 0.5585889193678126
Energy: 0.5696464605013543
Energy: 0.4524299496885077
Energy: 0.5561767674300097
Energy: 0.5031044305858832
Energy: 0.4507057802598144
Energy: 0.5567067998141283
Energy: 0.5031909398577303
Energy: 0.5578406563300793
Energy: 0.5483914445906724
Energy: 0.5571329839490318
Energy: 0.5492559031639708
Energy: 0.5452525089051236
Energy: 0.5991532907631262
Energy: 0.645420753247004
Energy: 0.6543292800006474
Energy: 0.6434164120408804
Energy: 0.6478283721178599
Energy: 0.6175028880266699
Energy: 0.647737449964923
Energy: 0.5526809786797569
Energy: 0.610354721296713
Energy: 0.5418128753930699
Energy: 0.5535792769653329
Energy: 0.5401700905116021
Energy: 0.5397178987697437
Energy: 0.5471264022078703
Energy: 0.6918265116286632
Energy: 0.6839057896429831
Energy: 0.5499346143967243
Energy: 0.539473989122452
Energy: 0.5403488472309568
Energy: 0.5602001350554986
Energy: 0.540472206837259
Energy: 0.5435579353733136
Energy: 0.5549037525895457
Energy: 0.5345565871448299
Energy: 0.5436161320308084
Energy: 0.740481259276354
Energy: 0.5324453480292781
Energy: 0.5318338031520901
Energy: 0.5320243690949847
Energy: 0.5972429622353064
Energy: 0.5936977967597655
Energy: 0.5621307280281571
Energy: 0.5810923116444449
Energy: 0.5990089752371696
Energy: 0.5315340112845842
Energy: 0.5973693538166794
Energy: 0.6053782247144367
Energy: 0.5593367114327267
Energy: 0.4754559259984199
Energy: 0.5580267371883603
Energy: 0.5687058744737243
Energy: 0.4921819990247966
Energy: 0.5470235757601676
Energy: 0.5533549561350132
Energy: 0.5504193536635908
Energy: 0.4799058775741979
Energy: 0.5510142408303629
Energy: 0.47619487813778555
Energy: 0.5116983917467003
Energy: 0.55261309844853
Energy: 0.6154893433814409
Energy: 0.5588342523137533
Energy: 0.5339406810716568
Energy: 0.5591683738393147
Energy: 0.547873337977565
Energy: 0.6173144538978471
Energy: 0.634650791445908
Energy: 0.6682235792702362
Energy: 0.6077319047449359
Energy: 0.6300501353558041
Energy: 0.6352809888616261
Energy: 0.554527607449775
Energy: 0.5304750101124232
Energy: 0.5221248795991069
Energy: 0.5211137849758004
Energy: 0.534006880045328
Energy: 0.5317120104634114
Energy: 0.540072392977962
Energy: 0.5601956650091338
Energy: 0.5589741790274323
Energy: 0.5643463633164697
Energy: 0.5512365735017577
Energy: 0.5664614769235975
Energy: 0.533786277579845
Energy: 0.5653222674242938
Energy: 0.5668346806412442
Energy: 0.5500854806844614
Energy: 0.5705435525491807
Energy: 0.5660112944515263
Energy: 0.5828501866209138
Energy: 0.5238505329263858
Energy: 0.545942399108719
Energy: 0.5814587499195497
Energy: 0.5307010804713482
Energy: 0.5982497927281856
Energy: 0.8310221158119644
Energy: 0.529444313643875
Energy: 0.5616275562568173
Energy: 0.8075264781172691
Energy: 0.5302442950440118
Energy: 0.7430578387389019
Energy: 0.6137500706262123
Energy: 0.5413383799440834
Energy: 0.5380056547597184
Energy: 0.5368004035001823
Energy: 0.5496811080520227
Energy: 0.5492752428813559
Energy: 0.9161458461537826
Energy: 0.5972088683029649
Energy: 0.6311612337229858
Energy: 0.5077652056560242
Energy: 0.6006978204878904
Energy: 0.7287737793160622

minimum gb energy = 0.4507057802598144 eV
minimum distance =  2.60872199673025 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 0.9012466110702809
Energy: 0.8235197615561586
Energy: 0.728105672218195
Energy: 0.5303361572941394
Energy: 0.8871531781751774
Energy: 0.7314427770596967
Energy: 0.49414620948907306
Energy: 0.5741461965485144
Energy: 0.588384846042415
Energy: 0.5296957429223719
Energy: 0.5277601504631915
Energy: 0.49967457506387875
Energy: 0.6758335451692594
Energy: 0.46693596087337486
Energy: 0.573290116648288
Energy: 0.6423961012391841
Energy: 0.46780432736872957
Energy: 0.5797842660321012
Energy: 0.4886652159175111
Energy: 0.4804989577816597
Energy: 0.4877170836087852
Energy: 0.4880595530619404
Energy: 0.5864561350109714
Energy: 0.4865796615507896
Energy: 0.4878859529871461
Energy: 0.6004221363304793
Energy: 0.5974529847591143
Energy: 0.4877482794167749
Energy: 0.574530169426673
Energy: 0.5713074184342666
Energy: 0.5913781896768252
Energy: 0.5668487676430344
Energy: 0.565923502034685
Energy: 0.6025064754891707
Energy: 0.4992133590220919
Energy: 0.5790050408652876
Energy: 0.5211245340899116
Energy: 0.4867403221483157
Energy: 0.48660967849532316
Energy: 0.5180752864957007
Energy: 0.4878836543119215
Energy: 0.4868015038101803
Energy: 0.7184589352540877
Energy: 0.5102108134971054
Energy: 0.7315897800584857
Energy: 0.6201634901066355
Energy: 0.5082651324232464
Energy: 0.7299221608090742
Energy: 0.531743372725847
Energy: 0.5336452787995852
Energy: 0.5363270898465093
Energy: 0.5310891353139578
Energy: 0.5352057922336277
Energy: 0.5372017984735556
Energy: 0.6002314371206815
Energy: 0.5874210460385545
Energy: 0.6360495712027466
Energy: 0.5898587481827864
Energy: 0.5275272030733862
Energy: 0.6240093122178437
Energy: 0.5426554455854158
Energy: 0.5692510589555425
Energy: 0.5825239081631067
Energy: 0.6452996708446729
Energy: 0.5823679174031561
Energy: 0.5834311306854109
Energy: 0.561706538692965
Energy: 0.5675052239723014
Energy: 0.567427559902998
Energy: 0.5188296637422731
Energy: 0.5743876368903438
Energy: 0.5557496113518249
Energy: 0.7558021876912102
Energy: 0.4867904863994332
Energy: 0.539699344767748
Energy: 0.48016618101430725
Energy: 0.5523871120032641
Energy: 0.5399225330443376
Energy: 0.5667564100908057
Energy: 0.529200528208496
Energy: 0.577828321493611
Energy: 0.513224573080538
Energy: 0.5266926984079051
Energy: 0.5747299999937612
Energy: 0.565520833389406
Energy: 0.6626683951439816
Energy: 0.661846176866282
Energy: 0.5805769199073009
Energy: 0.6254060964146078
Energy: 0.6482969656255477
Energy: 0.46717504850465696
Energy: 0.4684246743627045
Energy: 0.46668187836918873
Energy: 0.467957234152526
Energy: 0.5566117839085666
Energy: 0.4665443657229215
Energy: 0.49485131121153947
Energy: 0.6566925696995071
Energy: 0.6593223165100592
Energy: 0.4949186412077496
Energy: 0.6018409678807365
Energy: 0.4962092878406544
Energy: 0.6173962163680581
Energy: 0.5795307733016052
Energy: 0.5638846363271883
Energy: 0.6347505958911918
Energy: 0.5663040077563328
Energy: 0.5421778168901789
Energy: 0.5054268258969197
Energy: 0.5582675540966007
Energy: 0.5591787691549934
Energy: 0.49885337825602216
Energy: 0.5547052316182067
Energy: 0.555335515307052
Energy: 0.531615123304552
Energy: 0.6379070338048168
Energy: 0.6018198750212488
Energy: 0.4985470284967197
Energy: 0.6181846267771542
Energy: 0.6234537074364693
Energy: 0.5585752049270484
Energy: 0.5654195238075564
Energy: 0.5870899101095143
Energy: 0.6114703247925684
Energy: 0.5814305741976356
Energy: 0.5630490573943819
Energy: 0.691543606799694
Energy: 0.731694783700075
Energy: 0.7449652933954174
Energy: 0.6909403378312481
Energy: 0.7259519312595137
Energy: 0.7282750340913886
Energy: 0.5600736535499847
Energy: 0.5607553733824009
Energy: 0.5678675019481275
Energy: 0.5651142861648112
Energy: 0.5607173152846902
Energy: 0.5677659814416266
Energy: 0.680685718709078
Energy: 0.6017024405985831
Energy: 0.6443733627685425
Energy: 0.5748531950177524
Energy: 0.6012001341556074
Energy: 0.6234280462194486
Energy: 0.5390029758044602
Energy: 0.4665012439852704
Energy: 0.4668433588368326
Energy: 0.5629826516588418
Energy: 0.46657562063054575
Energy: 0.467072917895891
Energy: 0.5685353432787789
Energy: 0.481278851733391
Energy: 0.4809147873461323
Energy: 0.5597676851003622
Energy: 0.46659670573572587
Energy: 0.4824404959566157
Energy: 0.5332316984698214
Energy: 0.5952562412967465
Energy: 0.5905672172680986
Energy: 0.5575526528727082
Energy: 0.574181583440651
Energy: 0.5789543568170629
Energy: 0.5358699737567374
Energy: 0.5445169149920407
Energy: 0.544658316490005
Energy: 0.5359750818224728
Energy: 0.5751946670472374
Energy: 0.5252281569580544
Energy: 0.7610297577788395
Energy: 0.726522318751342
Energy: 0.7263957733926718
Energy: 0.7621310610999226
Energy: 0.5236117844444912
Energy: 0.7181455169781237
Energy: 0.5477169403985073
Energy: 0.5765131833792654
Energy: 0.564656534827755
Energy: 0.5725495744312569
Energy: 0.5413349135827985
Energy: 0.5440435456245613
Energy: 0.8727478736240096
Energy: 0.68046622037119
Energy: 0.6423331954710344
Energy: 0.5046106983129095
Energy: 0.7277108313982537
Energy: 0.7092806346258731

minimum gb energy = 0.4665012439852704 eV
minimum distance =  2.59211232241214 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.6334655187734756
Energy: 0.5680368823696231
Energy: 0.7541878063911337
Energy: 0.6347862556184234
Energy: 0.7401999385635816
Energy: 0.7546965522288857
Energy: 0.5073787847386598
Energy: 0.5609385897247049
Energy: 0.560362467175866
Energy: 0.5357338734342233
Energy: 0.5595646188852335
Energy: 0.5894755356874148
Energy: 0.6452331759493463
Energy: 0.5055159213792413
Energy: 0.507698279224821
Energy: 0.6470156619411676
Energy: 0.5881432370532795
Energy: 0.5053791971280236
Energy: 0.5136532969973782
Energy: 0.5569809739957511
Energy: 0.504867229406441
Energy: 0.5144352210804878
Energy: 0.609669579940074
Energy: 0.5020608270138952
Energy: 0.5071574075751543
Energy: 0.5554230887722673
Energy: 0.55595367986756
Energy: 0.5071758597951302
Energy: 0.5241018204087381
Energy: 0.5853846358216462
Energy: 0.6093340766826134
Energy: 0.520497983067123
Energy: 0.5249036731944482
Energy: 0.6406221024461737
Energy: 0.5210740943030944
Energy: 0.497080340552933
Energy: 0.5512808014781768
Energy: 0.5030864938351958
Energy: 0.5010104029273225
Energy: 0.5517214333972918
Energy: 0.5021818106749647
Energy: 0.5195373052227761
Energy: 0.6027894717848608
Energy: 0.6658155190572126
Energy: 0.6995097358742557
Energy: 0.6025341889917837
Energy: 0.6633113934603702
Energy: 0.6985373217921192
Energy: 0.5349805110723788
Energy: 0.5602709522173183
Energy: 0.5833387758079822
Energy: 0.5352898694745772
Energy: 0.5601739172038619
Energy: 0.5924544263675204
Energy: 0.50919050211652
Energy: 0.7080700057634625
Energy: 0.6837144299371505
Energy: 0.5087106443316697
Energy: 0.5770115405551146
Energy: 0.6819956679035446
Energy: 0.6080780951678321
Energy: 0.5866404768503453
Energy: 0.5813044353881942
Energy: 0.5580054925529199
Energy: 0.5487732270459224
Energy: 0.5631626024452399
Energy: 0.5043753676415259
Energy: 0.5807760197647417
Energy: 0.5802618892013796
Energy: 0.505879492165578
Energy: 0.5633700603843889
Energy: 0.5681476689817837
Energy: 0.5077563253199603
Energy: 0.5626957721992588
Energy: 0.6376063729836801
Energy: 0.5814670355436385
Energy: 0.5620707547844596
Energy: 0.6369760823107373
Energy: 0.6276143457437626
Energy: 0.5393204731839608
Energy: 0.5896997548047357
Energy: 0.5595577919905114
Energy: 0.5352985446015593
Energy: 0.5805626758566824
Energy: 0.6653277646557854
Energy: 0.6270201448467001
Energy: 0.6176890722853493
Energy: 0.6662706650456658
Energy: 0.6404443700097701
Energy: 0.617509467837727
Energy: 0.5014697676993813
Energy: 0.5265187672450264
Energy: 0.5276791182976031
Energy: 0.5019245007556014
Energy: 0.5720843341579717
Energy: 0.5008750760160045
Energy: 0.5849263916933111
Energy: 0.5695865055528198
Energy: 0.6183432204536596
Energy: 0.5856977277168464
Energy: 0.622776101401093
Energy: 0.6071157906491736
Energy: 0.5833887396240816
Energy: 0.537546857677574
Energy: 0.526858442941244
Energy: 0.5517824939172271
Energy: 0.5070175405147441
Energy: 0.5264769054203698
Energy: 0.5212487100878123
Energy: 0.5029274635467818
Energy: 0.5018427222404298
Energy: 0.5248112087755105
Energy: 0.5031484527277975
Energy: 0.5027203112443182
Energy: 0.5250809634543568
Energy: 0.5290051968619188
Energy: 0.5305940413303023
Energy: 0.5237317715825706
Energy: 0.6748635168491236
Energy: 0.528612118006861
Energy: 0.5567228479498999
Energy: 0.5958695758622454
Energy: 0.5948421686485518
Energy: 0.5365692408649916
Energy: 0.5169164568870334
Energy: 0.5605796524807327
Energy: 0.5913572370211193
Energy: 0.7301526089007807
Energy: 0.6819800670130305
Energy: 0.8561966791269437
Energy: 0.6082982436381804
Energy: 0.7092812284425591
Energy: 0.6054722980271774
Energy: 0.5359775711483403
Energy: 0.5887433088685745
Energy: 0.5355711236078177
Energy: 0.5354582627912937
Energy: 0.58154361906564
Energy: 0.5077575479323924
Energy: 0.6668652496472636
Energy: 0.6374318436591829
Energy: 0.5813452604477239
Energy: 0.6475751874235185
Energy: 0.637229021761176

minimum gb energy = 0.497080340552933 eV
minimum distance =  2.65662468539472 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.7405871399379789
Energy: 0.6351907385347303
Energy: 0.7196114110038015
Energy: 0.7388511189121857
Energy: 0.826002023969999
Energy: 0.6030728286632951
Energy: 0.5185734608246897
Energy: 0.6061140098819938
Energy: 0.6070550920395973
Energy: 0.5593744383884866
Energy: 0.6054419367951478
Energy: 0.6159201204912343
Energy: 0.6658725853960461
Energy: 0.5854236691931808
Energy: 0.5594912088700404
Energy: 0.6730883354616047
Energy: 0.5680639151762483
Energy: 0.5594205674171432
Energy: 0.5626038102903769
Energy: 0.5185980422384336
Energy: 0.5183510804973432
Energy: 0.5577734936189018
Energy: 0.5231791565925791
Energy: 0.557199882845866
Energy: 0.5310264931779713
Energy: 0.5481692920991473
Energy: 0.5495469374175203
Energy: 0.5313618478527313
Energy: 0.5851407578580315
Energy: 0.5514667487841999
Energy: 0.6147380192012618
Energy: 0.5476402849912111
Energy: 0.5490398022317452
Energy: 0.5822852985631959
Energy: 0.5474106907498342
Energy: 0.5679368807166639
Energy: 0.561297387573235
Energy: 0.5086064036154806
Energy: 0.5087373151183724
Energy: 0.577774743853132
Energy: 0.5094733422639085
Energy: 0.5460577488621384
Energy: 0.5955151339685112
Energy: 0.5814831407281535
Energy: 0.5729048670469766
Energy: 0.6209324607827978
Energy: 0.5819761518206645
Energy: 0.57593507859211
Energy: 0.50873126551374
Energy: 0.5772159721084287
Energy: 0.5560957111798368
Energy: 0.5094894741291459
Energy: 0.5857754348247745
Energy: 0.5762126396596212
Energy: 0.514470476948708
Energy: 0.5290788390079907
Energy: 0.5291984489630527
Energy: 0.5134104742405079
Energy: 0.5300194547052349
Energy: 0.5285518863149976
Energy: 0.5974762155829471
Energy: 0.6232125371616828
Energy: 0.5799635684927447
Energy: 0.5932248023731478
Energy: 0.536859552413831
Energy: 0.5777695589523926
Energy: 0.6284664346228606
Energy: 0.5579602307191618
Energy: 0.5582351163172118
Energy: 0.6299047886209278
Energy: 0.5586351411868552
Energy: 0.5579900541682178
Energy: 0.6326158836862121
Energy: 0.6175545835712402
Energy: 0.6010209511093604
Energy: 0.5787726623301743
Energy: 0.6760444492258574
Energy: 0.6017414329798014
Energy: 0.6091057389446888
Energy: 0.6030675721312211
Energy: 0.5586927509596029
Energy: 0.6071102213902073
Energy: 0.6022575265908593
Energy: 0.6037819385808162
Energy: 0.7442406426506992
Energy: 0.6179154843687649
Energy: 0.6201807968814095
Energy: 0.7444196803088332
Energy: 0.6201763837237153
Energy: 0.6208406499339836
Energy: 0.671524460926381
Energy: 0.6020803395542191
Energy: 0.626894553354189
Energy: 0.6046801741953461
Energy: 0.5836297648243635
Energy: 0.6035498183640841
Energy: 0.6755847920143021
Energy: 0.602790963735619
Energy: 0.5971646953377441
Energy: 0.5784860251763887
Energy: 0.6755298450192644
Energy: 0.598696877878806

minimum gb energy = 0.5086064036154806 eV
minimum distance =  2.59723072920608 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.7524476364761291
Energy: 0.6918780402013205
Energy: 0.5408943695607344
Energy: 0.6162404772126987
Energy: 0.7505250674555903
Energy: 0.5832601592101473
Energy: 0.5834365158981213
Energy: 0.5789703579947002
Energy: 0.5829833482181292
Energy: 0.5573348914295305
Energy: 0.5828825000257477
Energy: 0.574633359628434
Energy: 0.6332890055209173
Energy: 0.5346712276668403
Energy: 0.572546507254677
Energy: 0.6349349042116677
Energy: 0.5713469625960208
Energy: 0.6031611882349283
Energy: 0.556090951883545
Energy: 0.55615708511895
Energy: 0.6021216410928512
Energy: 0.5568981407818958
Energy: 0.5850511634527732
Energy: 0.5402302471795382
Energy: 0.6149783901308629
Energy: 0.5287096877814957
Energy: 0.5547860498786635
Energy: 0.600828541923192
Energy: 0.5636532500728191
Energy: 0.5590661794602287
Energy: 0.6621613740929918
Energy: 0.5419079428945079
Energy: 0.5316379199145147
Energy: 0.5445845642995095
Energy: 0.5282451106469336
Energy: 0.5508473671782638
Energy: 0.6246215913067588
Energy: 0.502250622731505
Energy: 0.49882554243423083
Energy: 0.5402323003252848
Energy: 0.5014299401785378
Energy: 0.5556457781364644
Energy: 0.59247159713995
Energy: 0.5356242688769466
Energy: 0.5438229447376784
Energy: 0.5776306547324047
Energy: 0.5321210211320033
Energy: 0.5415635669405109
Energy: 0.4780050196484589
Energy: 0.5409656869576526
Energy: 0.475648872698067
Energy: 0.4790195615037836
Energy: 0.557972667299495
Energy: 0.47632237745696093
Energy: 0.4792812374733195
Energy: 0.5342454576959333
Energy: 0.5369399137624319
Energy: 0.47921724690536277
Energy: 0.5264634167046148
Energy: 0.5311492155550467
Energy: 0.5867973484405132
Energy: 0.5291509569952765
Energy: 0.527789783061163
Energy: 0.5311857196695422
Energy: 0.4782156876245814
Energy: 0.5299723240580562
Energy: 0.5790017461619802
Energy: 0.47599831014555816
Energy: 0.4761857144381938
Energy: 0.5797950724459741
Energy: 0.48249412168193995
Energy: 0.506064510184177
Energy: 0.5233878137326741
Energy: 0.5467727244993991
Energy: 0.5371527383420533
Energy: 0.5569340042441534
Energy: 0.5488907073584454
Energy: 0.5468462053469512
Energy: 0.4992872207935278
Energy: 0.5525718394559848
Energy: 0.5429408840708978
Energy: 0.4998239249263924
Energy: 0.5471079879833834
Energy: 0.49851872160731203
Energy: 0.5019901316379501
Energy: 0.5422365591707015
Energy: 0.5461025032504141
Energy: 0.5190895698754802
Energy: 0.5420768107431149
Energy: 0.5234234640128151
Energy: 0.5848540022654586
Energy: 0.5636328015788857
Energy: 0.5649667846033967
Energy: 0.5754938716068396
Energy: 0.5684496755026917
Energy: 0.5627389882668465
Energy: 0.5775562551258894
Energy: 0.5547506669917844
Energy: 0.5541034352470188
Energy: 0.5275093312642879
Energy: 0.564128889265281
Energy: 0.5577229062910938
Energy: 0.5794820801132687
Energy: 0.5889541795935909
Energy: 0.6319748902432202
Energy: 0.5930209234212807
Energy: 0.6351358733019252
Energy: 0.5802815119149423
Energy: 0.5988457192012426
Energy: 0.5523415693644732
Energy: 0.5611855334273884
Energy: 0.5991850073919798
Energy: 0.5670823618266683
Energy: 0.5911848823407213
Energy: 0.744793146077132
Energy: 0.5741062991455043
Energy: 0.5816705421042426
Energy: 0.7453312360339868
Energy: 0.569374543919056
Energy: 0.5812022042831907
Energy: 0.6292251424062693
Energy: 0.5556803458711022
Energy: 0.5524508960554384
Energy: 0.6301545317329343
Energy: 0.5545843264591942
Energy: 0.5793431036977428
Energy: 0.5421967186423429
Energy: 0.5914914380546676
Energy: 0.594781619309342
Energy: 0.5808443977834267
Energy: 0.6314900758875344
Energy: 0.5890162418951553
Energy: 0.6041008563307358
Energy: 0.5838359999433393
Energy: 0.5840712769717508
Energy: 0.5911511463869207
Energy: 0.5877536098951196
Energy: 0.6335814606326106
Energy: 0.6332268971734472
Energy: 0.6130002284201599
Energy: 0.5779586826781736
Energy: 0.6337675469155654
Energy: 0.6003403146013371
Energy: 0.583544943707459
Energy: 0.5509983318366042
Energy: 0.5504456032879177
Energy: 0.5704337977942615
Energy: 0.551181804182779
Energy: 0.5441751560327476
Energy: 0.577564036811687
Energy: 0.5623546115917859
Energy: 0.5433570346418076
Energy: 0.537763891969751
Energy: 0.5638186117100189
Energy: 0.5417026264700407
Energy: 0.5615814377245
Energy: 0.641301201703863
Energy: 0.573334950914605
Energy: 0.5659353701050327
Energy: 0.5446026165052229
Energy: 0.573381513879307
Energy: 0.5447830133617638
Energy: 0.5809860843251228
Energy: 0.501804838847883
Energy: 0.4984684278870871
Energy: 0.5818185941738198
Energy: 0.5008922174680662
Energy: 0.4984286883733365
Energy: 0.5764367809802042
Energy: 0.5452145304759605
Energy: 0.538216174647244
Energy: 0.5885885840825383
Energy: 0.5301517401069581
Energy: 0.536616449650595
Energy: 0.48537230320796443
Energy: 0.5356146875591243
Energy: 0.5409808699492908
Energy: 0.4787230458231465
Energy: 0.5510620703534721
Energy: 0.5251521342327269
Energy: 0.4785917198937357
Energy: 0.5421137478792948
Energy: 0.5379009697516768
Energy: 0.4792189538317529
Energy: 0.5459069439776455
Energy: 0.5065509862508593
Energy: 0.6051230138748654
Energy: 0.5366870299465416
Energy: 0.5352881246011517
Energy: 0.5324437299629755
Energy: 0.5433010377961043
Energy: 0.5310040071606542
Energy: 0.5810515502240918
Energy: 0.47882490670992023
Energy: 0.4760028365530293
Energy: 0.5638910082893553
Energy: 0.47809671132886455
Energy: 0.47606996923534856
Energy: 0.6438672214250734
Energy: 0.5294441791456741
Energy: 0.5284235375555711
Energy: 0.5417472798088316
Energy: 0.5172603069975605
Energy: 0.5429808309919237
Energy: 0.5026084305419023
Energy: 0.5369134725794243
Energy: 0.5373278718775993
Energy: 0.5034133598212921
Energy: 0.534696291753676
Energy: 0.5416179288925589
Energy: 0.5076144486321019
Energy: 0.5419980812562027
Energy: 0.5685768587112507
Energy: 0.5081463478910245
Energy: 0.5355589989245289
Energy: 0.5277846007936006
Energy: 0.586595678587213
Energy: 0.5550745670153885
Energy: 0.568070654126798
Energy: 0.5862646831384299
Energy: 0.5251099238951304
Energy: 0.5659693088292798
Energy: 0.6040973329484819
Energy: 0.5548124835800325
Energy: 0.5506289959833695
Energy: 0.5581635695115676
Energy: 0.5570299543371824
Energy: 0.5505324092963798
Energy: 0.6787210713196526
Energy: 0.6422360882290438
Energy: 0.5362694312825411
Energy: 0.5550291683984719
Energy: 0.6378082979783215
Energy: 0.5638301341912619
Energy: 0.6016288058927476
Energy: 0.5556758196230733
Energy: 0.5543234084774236
Energy: 0.5967766083276428
Energy: 0.5537621136566395
Energy: 0.5558814053080428
Energy: 0.5941551978962101
Energy: 0.5699891198172633
Energy: 0.6177240095915913
Energy: 0.5893126213828599
Energy: 0.5652299237890661
Energy: 0.5965038940721121
Energy: 0.6332146395037164
Energy: 0.5652828818243653
Energy: 0.5776909534750875
Energy: 0.6338527013667989
Energy: 0.5209243619556029
Energy: 0.5837069554594514
Energy: 0.6139851761077684
Energy: 0.5872681146687592
Energy: 0.6380570229394764
Energy: 0.5995176559469058
Energy: 0.5864577635638163
Energy: 0.5851415720475092

minimum gb energy = 0.475648872698067 eV
minimum distance =  2.57972818231046 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.676086738248075
Energy: 0.6323575512438263
Energy: 0.5731057378917721
Energy: 0.5352730652862008
Energy: 0.7362580265751997
Energy: 0.5740524132140138
Energy: 0.5746093726736481
Energy: 0.5631709436495461
Energy: 0.5702510728040453
Energy: 0.541838538436884
Energy: 0.5796171674619055
Energy: 0.554085234830666
Energy: 0.6165827373440185
Energy: 0.5462098727975825
Energy: 0.544385118357659
Energy: 0.6176083014339313
Energy: 0.5433338976280636
Energy: 0.5864309856484143
Energy: 0.5427286310360881
Energy: 0.5495746307042515
Energy: 0.5765442796484356
Energy: 0.5492145249000077
Energy: 0.5295811050534467
Energy: 0.525752612403273
Energy: 0.5660096097436456
Energy: 0.5316781409638678
Energy: 0.5357777501909029
Energy: 0.5672876365182389
Energy: 0.5424727382963844
Energy: 0.5391238267811188
Energy: 0.6256963019405459
Energy: 0.5302354845405503
Energy: 0.5144376544763032
Energy: 0.5164055075767746
Energy: 0.529185640941767
Energy: 0.5502572038092294
Energy: 0.5715262487224801
Energy: 0.49320338239763073
Energy: 0.494946082735014
Energy: 0.5267871586447771
Energy: 0.4910924840848416
Energy: 0.5466883973037765
Energy: 0.5600217963036288
Energy: 0.513022345850891
Energy: 0.509587568065436
Energy: 0.5416424691524008
Energy: 0.5115745727093203
Energy: 0.5199920988281761
Energy: 0.4632123278899887
Energy: 0.5413317623195869
Energy: 0.4610409957828237
Energy: 0.4643574160834655
Energy: 0.5060841748805522
Energy: 0.46920402803107014
Energy: 0.4623748458782042
Energy: 0.503447472132324
Energy: 0.5000194276954855
Energy: 0.46939890383768523
Energy: 0.5324356505903926
Energy: 0.5019174750530937
Energy: 0.5894579111549998
Energy: 0.5046322566633158
Energy: 0.49940558540898766
Energy: 0.5071788068456955
Energy: 0.4613410598934608
Energy: 0.4974863024512726
Energy: 0.5785609432554478
Energy: 0.45222864556455294
Energy: 0.4543605008157485
Energy: 0.5086515301643418
Energy: 0.45112197973331397
Energy: 0.47763484482761637
Energy: 0.5799716442654266
Energy: 0.5015100693973966
Energy: 0.4930296914367553
Energy: 0.5076574511206569
Energy: 0.5030559319691617
Energy: 0.49971508115326174
Energy: 0.44557907535524
Energy: 0.5049820064402466
Energy: 0.49290427475756865
Energy: 0.44655048893715255
Energy: 0.5645282399314724
Energy: 0.45402947682501194
Energy: 0.4501727845186799
Energy: 0.5092008991769563
Energy: 0.5066511332295657
Energy: 0.5047853324375041
Energy: 0.5134885434248986
Energy: 0.5048856131919234
Energy: 0.5602275772495643
Energy: 0.4673302768475825
Energy: 0.5036077109205824
Energy: 0.5181949378321479
Energy: 0.4669359590989755
Energy: 0.5003880625408632
Energy: 0.5414846653267847
Energy: 0.47012270312486554
Energy: 0.47203863650125655
Energy: 0.5186624282437895
Energy: 0.4687847133269359
Energy: 0.5262619096186169
Energy: 0.5305770015194056
Energy: 0.5128342890727337
Energy: 0.5212691405608953
Energy: 0.5312696306903688
Energy: 0.5159076680357332
Energy: 0.5317088614113306
Energy: 0.4887978224602082
Energy: 0.527358968243235
Energy: 0.48836501999980847
Energy: 0.4898431504403573
Energy: 0.5357008327588089
Energy: 0.49555135272936784
Energy: 0.5902213049226419
Energy: 0.5296995811522407
Energy: 0.5322809741860676
Energy: 0.5901687088270271
Energy: 0.5255766137377497
Energy: 0.570384158346947
Energy: 0.5609842336016193
Energy: 0.5521941896454416
Energy: 0.5549696716266941
Energy: 0.5543017479329568
Energy: 0.5414667152119697
Energy: 0.5450613755278371
Energy: 0.6063571667665945
Energy: 0.5484625099312
Energy: 0.5104126982984227
Energy: 0.5216696016072125
Energy: 0.5485377363783687
Energy: 0.5692570793315678
Energy: 0.5630807583561928
Energy: 0.6059157479543693
Energy: 0.6111978695842117
Energy: 0.5633368141610336
Energy: 0.6027817983674305
Energy: 0.5996823749663238
Energy: 0.5730083682688669
Energy: 0.5334960211288953
Energy: 0.5549325593053847
Energy: 0.5685696345354772
Energy: 0.5358134585385684
Energy: 0.5510466812756079
Energy: 0.6081861286171293
Energy: 0.5798779517444236
Energy: 0.5765103797206532
Energy: 0.6081213732620674
Energy: 0.5553306957391501
Energy: 0.5819181215241257
Energy: 0.5990855691854692
Energy: 0.5645100905649248
Energy: 0.5649175054665287
Energy: 0.6006359613852873
Energy: 0.5622359831866471
Energy: 0.5723630013373483
Energy: 0.6703336261513675
Energy: 0.6030206690728431
Energy: 0.587434029292844
Energy: 0.5382484387491608
Energy: 0.6084723119624316
Energy: 0.5912078614832917

minimum gb energy = 0.44557907535524 eV
minimum distance =  2.60470607829588 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.620290364173511
Energy: 0.5636761823114255
Energy: 0.5248999157778663
Energy: 0.4835596693978246
Energy: 0.6066936415376096
Energy: 0.49927286823050404
Energy: 0.503405657817335
Energy: 0.5098141912776657
Energy: 0.47963523410747344
Energy: 0.5063395593384944
Energy: 0.5176547504494955
Energy: 0.4793703712551545
Energy: 0.5456036459764959
Energy: 0.46872121655579674
Energy: 0.4893764644009191
Energy: 0.5466826025546733
Energy: 0.46772676228853105
Energy: 0.4876637060218526
Energy: 0.500248659382793
Energy: 0.4836246582095598
Energy: 0.48386953144652284
Energy: 0.5013180663824113
Energy: 0.49630792282742386
Energy: 0.4772895055916333
Energy: 0.5124693923458239
Energy: 0.4684345852492946
Energy: 0.4769599221757072
Energy: 0.5126595130978847
Energy: 0.50481242728924
Energy: 0.4687466904899456
Energy: 0.581519200478722
Energy: 0.46340409786482395
Energy: 0.4362212581450251
Energy: 0.4522406885275626
Energy: 0.46350288944326806
Energy: 0.47245598819894924
Energy: 0.4852205445639069
Energy: 0.44831309811235154
Energy: 0.44811702818100946
Energy: 0.4702985705831916
Energy: 0.45107674390131164
Energy: 0.4483620081161985
Energy: 0.5116804105791608
Energy: 0.4434254626823473
Energy: 0.4591850452528547
Energy: 0.5113970046600071
Energy: 0.45128805409767514
Energy: 0.45709720402625936
Energy: 0.42292914240355545
Energy: 0.46263816346424663
Energy: 0.4215386694036265
Energy: 0.42404682823698714
Energy: 0.5110495858786231
Energy: 0.4221055068721086
Energy: 0.40950160531888213
Energy: 0.4502818828961557
Energy: 0.46711591356701615
Energy: 0.4210136269976547
Energy: 0.4513458925187593
Energy: 0.45268165977239944
Energy: 0.5563941736931004
Energy: 0.40665387982220796
Energy: 0.4065620923895113
Energy: 0.4293478114080992
Energy: 0.4056036810347744
Energy: 0.44159278947242675
Energy: 0.504293508877528
Energy: 0.40348336747728053
Energy: 0.4026281854904152
Energy: 0.4431317180465676
Energy: 0.40805148803000646
Energy: 0.44230005326742416
Energy: 0.5048748625548918
Energy: 0.4293842492839165
Energy: 0.44600975766141526
Energy: 0.44270883814172374
Energy: 0.4298609248227577
Energy: 0.43961311147147164
Energy: 0.3920139209151997
Energy: 0.44463188740143983
Energy: 0.3916532713650962
Energy: 0.39341904949787543
Energy: 0.4980856383078605
Energy: 0.3944506874058014
Energy: 0.3934072083050782
Energy: 0.4362717437052148
Energy: 0.4379563203621919
Energy: 0.39351629765279544
Energy: 0.4273426307742824
Energy: 0.43736052102705036
Energy: 0.443185436787004
Energy: 0.38960610422517433
Energy: 0.39018833722862745
Energy: 0.4363360233955291
Energy: 0.38792943184415246
Energy: 0.4379689439841936
Energy: 0.4497046888345792
Energy: 0.38812270948243066
Energy: 0.38790568841805095
Energy: 0.4356733667796298
Energy: 0.38823771247698485
Energy: 0.4333403735153642
Energy: 0.49989854568694186
Energy: 0.4340036752763607
Energy: 0.43722347059602584
Energy: 0.4305285504121399
Energy: 0.4273022793842935
Energy: 0.4364655635853267
Energy: 0.3865262479877799
Energy: 0.48666751844529393
Energy: 0.38634259353663963
Energy: 0.387628792932167
Energy: 0.48487011201201674
Energy: 0.3866601309657692
Energy: 0.4940745426539897
Energy: 0.426954915423979
Energy: 0.4330800519082935
Energy: 0.46859045500919616
Energy: 0.4289663709690756
Energy: 0.4396696035158157
Energy: 0.47552665295806595
Energy: 0.39182942980487134
Energy: 0.3915585014744088
Energy: 0.4350586824251137
Energy: 0.3921862660910375
Energy: 0.4339506630263025
Energy: 0.4416599824788533
Energy: 0.39447177990306936
Energy: 0.39551130873853524
Energy: 0.4406341804941983
Energy: 0.3947712186349182
Energy: 0.44290823259139955
Energy: 0.40261951838636734
Energy: 0.4426509097765272
Energy: 0.4522420650508044
Energy: 0.4025146009449565
Energy: 0.4598103765685822
Energy: 0.45459037734476737
Energy: 0.4037829403586348
Energy: 0.4430059331490871
Energy: 0.4029883232656302
Energy: 0.4046366381867125
Energy: 0.4949694677377607
Energy: 0.4047901709667626
Energy: 0.5038759349991179
Energy: 0.4440371518595135
Energy: 0.4535999295703668
Energy: 0.46902096930468085
Energy: 0.4439099008104108
Energy: 0.44804910353427635
Energy: 0.4981035259110175
Energy: 0.4216160069886997
Energy: 0.42091184908141777
Energy: 0.4568657006674852
Energy: 0.42483420660993937
Energy: 0.45560829929570507
Energy: 0.5710043292499849
Energy: 0.42216311948826274
Energy: 0.4386439881466749
Energy: 0.44328943232176465
Energy: 0.42264783766739805
Energy: 0.45785019243089725
Energy: 0.4588015738383921
Energy: 0.46332881027572037
Energy: 0.4766385223078256
Energy: 0.4704924771593921
Energy: 0.4631793866914083
Energy: 0.4731639496330069
Energy: 0.4489302559568691
Energy: 0.4763497215657126
Energy: 0.4479287082277527
Energy: 0.4500256289679518
Energy: 0.5170961397491796
Energy: 0.4483410607075225
Energy: 0.523227690355067
Energy: 0.45841835882252324
Energy: 0.47388541070050905
Energy: 0.5247055429824861
Energy: 0.46370388467644685
Energy: 0.470860768796783
Energy: 0.4973793108030707
Energy: 0.4675036255855029
Energy: 0.47468594719650276
Energy: 0.4848357971570255
Energy: 0.49392563072563006
Energy: 0.47496607798013596
Energy: 0.5999686684173092
Energy: 0.48883073450196113
Energy: 0.48133807122912436
Energy: 0.4609090113273339
Energy: 0.4888522695768194
Energy: 0.4846664264152481
Energy: 0.477571370734778
Energy: 0.4897669863211574
Energy: 0.48679914577703004
Energy: 0.5018305333685233
Energy: 0.527570107652277
Energy: 0.48687364106879116
Energy: 0.5189902463185911
Energy: 0.4958586484641691
Energy: 0.49606707267435585
Energy: 0.5159801246040583
Energy: 0.5041228349104508
Energy: 0.5099687287047816
Energy: 0.5353654020414579
Energy: 0.4766676194887478
Energy: 0.5017469936704272
Energy: 0.5360350088248832
Energy: 0.4761299955690109
Energy: 0.47477826025644637
Energy: 0.5034056579658307
Energy: 0.5139107403525915
Energy: 0.5008368696495971
Energy: 0.5084283000783164
Energy: 0.5149752410357255
Energy: 0.5060211224402855

minimum gb energy = 0.38634259353663963 eV
minimum distance =  2.60330774149483 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.10427328410206758
Energy: 0.7094514532007633
Energy: 0.10438653701626624
Energy: 0.1063772506219694
Energy: 0.13110990353065669
Energy: 0.10517431798207928
Energy: 0.26024722644794535
Energy: 0.1067427396616891
Energy: 0.1050462965330995
Energy: 0.13200462146716044
Energy: 0.10785659397237289
Energy: 0.10542743912729306
Energy: 0.26260674719805627
Energy: 0.10501601381653568
Energy: 0.10511110886720784
Energy: 0.2640075401585272
Energy: 0.10483683237559105
Energy: 0.1305919672372908
Energy: 0.10764366212879992
Energy: 0.10495134104002252
Energy: 0.10543957225172314
Energy: 0.1086279350361913
Energy: 0.10491390016474944
Energy: 0.1314114252825714
Energy: 0.13067956695042354
Energy: 0.26375766289250785
Energy: 0.13153111124607766
Energy: 0.13220813554643038
Energy: 0.26187072442443576
Energy: 0.13137217122695252
Energy: 0.10547718009590465
Energy: 0.10482543256003579
Energy: 0.10461266101502667
Energy: 0.10685345029140597
Energy: 0.10515920570629922
Energy: 0.10486017834776759
Energy: 0.26510532565374784
Energy: 0.1052238874651463
Energy: 0.10494523787014863
Energy: 0.26624403905021343
Energy: 0.10672105227089312
Energy: 0.1051919597905205
Energy: 0.2642812365503769
Energy: 0.10502133393059997
Energy: 0.10483353639990196
Energy: 0.26531537912445524
Energy: 0.10463664202476117
Energy: 0.13177566744121544
Energy: 0.10563869254139667
Energy: 0.10536671486739638
Energy: 0.13184544829463324
Energy: 0.10676699052208342
Energy: 0.10477247537911645
Energy: 0.20450201648570443
Energy: 0.10583766319018013
Energy: 0.2646812328974568
Energy: 0.1314850696822757
Energy: 0.10561179689459496
Energy: 0.2639660029754608
Energy: 0.2037639596577346

minimum gb energy = 0.10427328410206758 eV
minimum distance =  2.78395842856527 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.6292092633626719
Energy: 0.5539583510215279
Energy: 0.5100471460664336
Energy: 0.632579980451666
Energy: 0.5351453931373216
Energy: 0.5013961258496916
Energy: 0.5146854996766024
Energy: 0.5218418962177982
Energy: 0.505920353952399
Energy: 0.5384493746297698
Energy: 0.5417746233046423
Energy: 0.5057565887775309
Energy: 0.5263009352324378
Energy: 0.4933253149734403
Energy: 0.500549190824455
Energy: 0.5453331058296378
Energy: 0.4841934775340139
Energy: 0.5053140922908552
Energy: 0.5029443206404156
Energy: 0.4931744742708219
Energy: 0.49772300315590995
Energy: 0.49753548794662616
Energy: 0.45650212475030677
Energy: 0.5051389173669136
Energy: 0.4618627278870725
Energy: 0.5311496293828383
Energy: 0.5238700368495272
Energy: 0.4620893590898623
Energy: 0.5422189516135709
Energy: 0.5064931484708645
Energy: 0.6096290520733806
Energy: 0.49684547612490765
Energy: 0.4977159637830344
Energy: 0.4695426571665839
Energy: 0.505283414684165
Energy: 0.4807919886952233
Energy: 0.49411195961452975
Energy: 0.46302702141488206
Energy: 0.485169309067428
Energy: 0.4941055562370758
Energy: 0.4664266992733659
Energy: 0.48911776219353525
Energy: 0.48442631070603664
Energy: 0.48045571956535743
Energy: 0.4832880797662071
Energy: 0.4852372561052171
Energy: 0.46796421926924586
Energy: 0.4567481963533904
Energy: 0.47769321207207616
Energy: 0.47682245777540216
Energy: 0.4954969388030223
Energy: 0.4786674704154927
Energy: 0.4209945474799627
Energy: 0.49960845765853856
Energy: 0.42201740539517274
Energy: 0.44409789112191095
Energy: 0.4438928654196535
Energy: 0.4217518993127759
Energy: 0.45856832640819506
Energy: 0.44383233220002855
Energy: 0.4295798382742007
Energy: 0.47649370099135574
Energy: 0.4774303327953545
Energy: 0.42903635370159837
Energy: 0.47391681649427153
Energy: 0.46901207655043187
Energy: 0.4251711429765619
Energy: 0.46688633719266376
Energy: 0.48735633624475505
Energy: 0.42598573904181003
Energy: 0.43456303078745756
Energy: 0.42144395963818404
Energy: 0.42125019157909416
Energy: 0.46095839483278667
Energy: 0.4766477648692845
Energy: 0.4178621405580301
Energy: 0.4571854296067336
Energy: 0.47705141447176386
Energy: 0.4726623384020586
Energy: 0.433391372279953
Energy: 0.46957364598187595
Energy: 0.473404803209767
Energy: 0.43326908425925775
Energy: 0.4649573328556356
Energy: 0.44289564347960814
Energy: 0.4015288550512047
Energy: 0.40119774509463324
Energy: 0.4426172184524138
Energy: 0.4033939075560566
Energy: 0.4011705758364316
Energy: 0.4476239080662327
Energy: 0.4602100755427
Energy: 0.45555236060092746
Energy: 0.4468332325647146
Energy: 0.45135043071110187
Energy: 0.4561114144150655
Energy: 0.3968755227948718
Energy: 0.45033744741143716
Energy: 0.46784382871298086
Energy: 0.39719015666563917
Energy: 0.43976671389162997
Energy: 0.39472923761925616
Energy: 0.3943152014867966
Energy: 0.4514716104912222
Energy: 0.45155146605335905
Energy: 0.39436113401422485
Energy: 0.5071462729205529
Energy: 0.4650058899509166
Energy: 0.5017964643860808
Energy: 0.4428134685364544
Energy: 0.45144395076639393
Energy: 0.4776258187957346
Energy: 0.4446101950373808
Energy: 0.4515485129476858
Energy: 0.4378085346311247
Energy: 0.3997129668957042
Energy: 0.3996869404307603
Energy: 0.438374889413666
Energy: 0.40222597977611957
Energy: 0.3999375697614833
Energy: 0.4473527511212925
Energy: 0.46318361856791873
Energy: 0.45576680592294266
Energy: 0.4478831549367326
Energy: 0.44089432364527636
Energy: 0.4537745255760755
Energy: 0.40158987294252907
Energy: 0.46374080696913705
Energy: 0.4692732144162694
Energy: 0.4029542432161439
Energy: 0.4437142080799049
Energy: 0.401176221870227
Energy: 0.40397828890778387
Energy: 0.4698952695633664
Energy: 0.4698593056364764
Energy: 0.4044317320588571
Energy: 0.4710767483234495
Energy: 0.47380739181497966
Energy: 0.5432166978516779
Energy: 0.4170556077736894
Energy: 0.48039641701925606
Energy: 0.5478468223714718
Energy: 0.41684031065434185
Energy: 0.4666350925555508
Energy: 0.45000814702471714
Energy: 0.4257430162961324
Energy: 0.4254247758218382
Energy: 0.4510618654038032
Energy: 0.4293642479776087
Energy: 0.4173534640120554
Energy: 0.46127689094820545
Energy: 0.4716285874237254
Energy: 0.47699951018244496
Energy: 0.4763892579289779
Energy: 0.4450333240784971
Energy: 0.48032756392108955
Energy: 0.44381531623737924
Energy: 0.471357742049949
Energy: 0.4752631925049846
Energy: 0.4449989568295404
Energy: 0.4096509863840069
Energy: 0.4435282066838526
Energy: 0.4323580613382616
Energy: 0.4950620358530814
Energy: 0.4973347608846365
Energy: 0.43242313376576413
Energy: 0.4769218170115682
Energy: 0.49487394093207465
Energy: 0.5853502919909419
Energy: 0.48196596428379734
Energy: 0.4898832345095906
Energy: 0.452748891680132
Energy: 0.4821132097584143
Energy: 0.4736399793162824
Energy: 0.4575654072314528
Energy: 0.5014965856191385
Energy: 0.48549510749593494
Energy: 0.4576150870337331
Energy: 0.501608512612572
Energy: 0.494456149769657
Energy: 0.5052509356986018
Energy: 0.48305687441913236
Energy: 0.48913918124627775
Energy: 0.4947620575366262
Energy: 0.46898664348179725
Energy: 0.48859960054776796
Energy: 0.5252043485658802
Energy: 0.4842477406967345
Energy: 0.506457513355851
Energy: 0.5261204463633141
Energy: 0.43191397259538405
Energy: 0.5068172386383701
Energy: 0.4797442354270311
Energy: 0.5120522782122396
Energy: 0.511686109658813
Energy: 0.47971430935435644
Energy: 0.493381468364261
Energy: 0.5032524479906383

minimum gb energy = 0.3943152014867966 eV
minimum distance =  2.63177319056186 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.6264393038833167
Energy: 0.5871028616266929
Energy: 0.5703810265401396
Energy: 0.6283035382243713
Energy: 0.675933464510271
Energy: 0.5837460377876925
Energy: 0.576314154598898
Energy: 0.601116433249239
Energy: 0.5939398254167857
Energy: 0.6099595224028601
Energy: 0.6054928758816115
Energy: 0.5761655567360634
Energy: 0.5961349847670383
Energy: 0.5567187715576707
Energy: 0.5718292465320048
Energy: 0.5924418479728278
Energy: 0.49987149627627625
Energy: 0.6015947498575749
Energy: 0.5771193581056642
Energy: 0.5650941681276863
Energy: 0.6076707933290613
Energy: 0.5778306014398633
Energy: 0.5439898119229377
Energy: 0.5704315033239928
Energy: 0.5481640755479941
Energy: 0.5902398881242364
Energy: 0.5690291739894063
Energy: 0.5483878850637421
Energy: 0.5846530126523805
Energy: 0.5709085126001193
Energy: 0.6003573731259562
Energy: 0.5664805013275582
Energy: 0.5789280537039599
Energy: 0.5502487378014057
Energy: 0.5682755957103065
Energy: 0.5745091876430622
Energy: 0.5548359985026231
Energy: 0.5470626164105904
Energy: 0.5732985739544166
Energy: 0.5544463563261866
Energy: 0.5461425340897024
Energy: 0.5414281252821894
Energy: 0.5295364426890931
Energy: 0.5416690094034456
Energy: 0.5432211115619837
Energy: 0.5305496180976997
Energy: 0.4934075723569938
Energy: 0.5926290953931024
Energy: 0.5359561934323892
Energy: 0.5624244868704601
Energy: 0.560903274477722
Energy: 0.5409945909500108
Energy: 0.5118555779278341
Energy: 0.5537649841583075
Energy: 0.513639468464032
Energy: 0.4978193252589922
Energy: 0.500023693571128
Energy: 0.5140113988973734
Energy: 0.49545090208124226
Energy: 0.48412108722466085
Energy: 0.5035115192938592
Energy: 0.5315337183310039
Energy: 0.5337239034945263
Energy: 0.4938660514180775
Energy: 0.5186598737119321
Energy: 0.5336410152119183
Energy: 0.46777470901187285
Energy: 0.5376138422450466
Energy: 0.5485938029689745
Energy: 0.4688248227595051
Energy: 0.538556819462986
Energy: 0.46485764291618153
Energy: 0.4658400037765659
Energy: 0.5444644116671709
Energy: 0.5450783205869566
Energy: 0.46692172432658136
Energy: 0.5569978528152841
Energy: 0.5058418041646253
Energy: 0.531562012663624
Energy: 0.5048319402957914
Energy: 0.5245355470399604
Energy: 0.5276074085739364
Energy: 0.5033305597137148
Energy: 0.5261436502578895
Energy: 0.5033311911234322
Energy: 0.4780186240454104
Energy: 0.47167023939657243
Energy: 0.5041045845390862
Energy: 0.47423868619198595
Energy: 0.4625760655080756
Energy: 0.5379205266474721
Energy: 0.5396396353858477
Energy: 0.5354554675974171
Energy: 0.5433598606941021
Energy: 0.49456852671483914
Energy: 0.5306521501609128
Energy: 0.4846238379308743
Energy: 0.5305116053045712
Energy: 0.5339140792563778
Energy: 0.48567697210619765
Energy: 0.5716081235478766
Energy: 0.4844127332917228
Energy: 0.49732738272827676
Energy: 0.5490954731819703
Energy: 0.5496763556189143
Energy: 0.49804878534015495
Energy: 0.5423258801593391
Energy: 0.6051406985768402
Energy: 0.5708196821030112
Energy: 0.5501398946920969
Energy: 0.5650630142956923
Energy: 0.5270853297845132
Energy: 0.5489327299113271
Energy: 0.5521470721752764
Energy: 0.5273864199312734
Energy: 0.5335956214893174
Energy: 0.528366517677956
Energy: 0.5277354397072078
Energy: 0.5322043518226065
Energy: 0.5432712701193585
Energy: 0.5660970949777532
Energy: 0.5665024935924081
Energy: 0.5752438915941114
Energy: 0.5676470439146117
Energy: 0.487082117717664
Energy: 0.5729545059237867
Energy: 0.5872970752625358
Energy: 0.5518059018010765
Energy: 0.5715153840876207
Energy: 0.5839765958954468
Energy: 0.47872613756570814
Energy: 0.5670714602195026
Energy: 0.5761671154532113
Energy: 0.5852695368038251
Energy: 0.57346724172518
Energy: 0.5761499698474236
Energy: 0.5837132720812769
Energy: 0.56374193994091

minimum gb energy = 0.4625760655080756 eV
minimum distance =  2.54524872990432 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.7345898922753057
Energy: 0.6435914735718175
Energy: 0.6214749761139323
Energy: 0.7151560350804803
Energy: 0.67979546071368
Energy: 0.6252832989646973
Energy: 0.6059815619407274
Energy: 0.6419029568197895
Energy: 0.5857362077262406
Energy: 0.6096458059758803
Energy: 0.6329514191740064
Energy: 0.6031713916108516
Energy: 0.6455972299527589
Energy: 0.6499922816242146
Energy: 0.613404963473045
Energy: 0.6044102730333673
Energy: 0.6542759980878016
Energy: 0.6003150137587557
Energy: 0.6255830683824761
Energy: 0.6004355426429309
Energy: 0.6443891688985993
Energy: 0.618317433516727
Energy: 0.5784017136764432
Energy: 0.6022970885205733
Energy: 0.5772107568686294
Energy: 0.6325441224961363
Energy: 0.604172922135396
Energy: 0.6035051560183889
Energy: 0.6329872160373231
Energy: 0.6518065450303091
Energy: 0.6877058225041948
Energy: 0.6076987624252053
Energy: 0.6107628231843122
Energy: 0.6140442863894965
Energy: 0.6187211073997199
Energy: 0.6070085167151529
Energy: 0.5919150899773299
Energy: 0.6142617372924237
Energy: 0.6224246616052667
Energy: 0.5888389056873177
Energy: 0.5862003042740453
Energy: 0.576054081120452
Energy: 0.568311758899469
Energy: 0.626127368432396
Energy: 0.636005441543218
Energy: 0.5685243084462853
Energy: 0.6103325731572482
Energy: 0.6015771629103142
Energy: 0.5881367162687362
Energy: 0.6166386402476967
Energy: 0.6164381974220479
Energy: 0.5885711550073085
Energy: 0.5432648333381869
Energy: 0.6067510645256368
Energy: 0.5740223707735714
Energy: 0.5310045993910981
Energy: 0.5336639293725594
Energy: 0.5752922018606931
Energy: 0.5336143926697794
Energy: 0.532022278699811
Energy: 0.5904105811672132
Energy: 0.57631511180063
Energy: 0.5983620467498968
Energy: 0.5757372252300137
Energy: 0.5636902686786914
Energy: 0.595677770752307
Energy: 0.5311909618972859
Energy: 0.6011062396164314
Energy: 0.598819615262199
Energy: 0.531972060010028
Energy: 0.57982255714559
Energy: 0.5904877714807718
Energy: 0.5337341454635872
Energy: 0.5998689051292104
Energy: 0.60348485686058
Energy: 0.5349639266520521
Energy: 0.5908531239921279
Energy: 0.5732535666054566
Energy: 0.5960495753176973
Energy: 0.5908191096719566
Energy: 0.6060859029777275
Energy: 0.5355041360884347
Energy: 0.5929239892868128
Energy: 0.5855241841958418
Energy: 0.551058292533878
Energy: 0.5719584092210225
Energy: 0.5697598898479411
Energy: 0.5511529054651859
Energy: 0.5673593056757936
Energy: 0.5655568939313063
Energy: 0.5898649832721254
Energy: 0.6064451110986131
Energy: 0.6170521419800827
Energy: 0.5886464272134283
Energy: 0.5506944587942184
Energy: 0.5977333963610822
Energy: 0.6280139187009948
Energy: 0.6029055745732523
Energy: 0.6299452366509406
Energy: 0.6233957658782565
Energy: 0.6057184283944818
Energy: 0.6430468360276745
Energy: 0.655622092300758
Energy: 0.6149736635723944
Energy: 0.6126731350429419
Energy: 0.6526866501534915
Energy: 0.6123024519105665
Energy: 0.6715535985835005
Energy: 0.7140072807171175
Energy: 0.6080131261561601
Energy: 0.6090489900574593
Energy: 0.7064252564849485
Energy: 0.6192439020748596
Energy: 0.6112771865419174
Energy: 0.5904635474227575
Energy: 0.6332829262804934
Energy: 0.6060986132276316
Energy: 0.5849827323821151
Energy: 0.6312299321901388
Energy: 0.6722550832646268
Energy: 0.6446882617830336
Energy: 0.6424937484246851
Energy: 0.615368408047818
Energy: 0.6309815591258578
Energy: 0.6201302924663685
Energy: 0.6005265737330476
Energy: 0.6198565127532278
Energy: 0.6026376245574177
Energy: 0.6041088963077811
Energy: 0.5980824321405233
Energy: 0.617004693724132
Energy: 0.6271690921081364
Energy: 0.5894314642164485
Energy: 0.6388426361761061
Energy: 0.6026417426080269
Energy: 0.5871333276408353
Energy: 0.6309357565970934
Energy: 0.6454282654310621
Energy: 0.6787151854716316
Energy: 0.6315316737789668
Energy: 0.6421249413455912
Energy: 0.6740951404088629
Energy: 0.6300715382165427
Energy: 0.6043457181075848
Energy: 0.5881358008484636
Energy: 0.6223016793716172
Energy: 0.6204140691966464
Energy: 0.5881073400532686
Energy: 0.6139667173258131
Energy: 0.664200116560571
Energy: 0.566559183730722
Energy: 0.6148335871431192
Energy: 0.633385627691616
Energy: 0.5678474682581227
Energy: 0.6469972108081345
Energy: 0.5673940781534036
Energy: 0.5938938959264182
Energy: 0.6179013996956467
Energy: 0.61647410835049
Energy: 0.594067112332828
Energy: 0.5656306927246657
Energy: 0.6082163484129587
Energy: 0.5770817082800618
Energy: 0.5419272140795587
Energy: 0.5320311730929519
Energy: 0.5823612023387138
Energy: 0.545117545512436
Energy: 0.5339983462789959
Energy: 0.6254811394836889
Energy: 0.5466298594440047
Energy: 0.6106858617313803
Energy: 0.5776571877151757
Energy: 0.5603815110389473
Energy: 0.5988641273299523
Energy: 0.5341145763501698
Energy: 0.6027212518799046
Energy: 0.601125911678586
Energy: 0.533896509749811
Energy: 0.574695836678565
Energy: 0.6012102674226485
Energy: 0.5305758533544782
Energy: 0.5950033621815025
Energy: 0.6261861050204207
Energy: 0.5314840995224203
Energy: 0.593193712723018
Energy: 0.5294208176553085
Energy: 0.5857198758036093
Energy: 0.6026159269062076
Energy: 0.6036485741102685
Energy: 0.5351849611260128
Energy: 0.5852090006610706
Energy: 0.5869034332337122
Energy: 0.5500595831855222
Energy: 0.5658757721770574
Energy: 0.5656577435236942
Energy: 0.546114512287925
Energy: 0.5679196755710811
Energy: 0.5848299536501451
Energy: 0.610493133379064
Energy: 0.5937594331002202
Energy: 0.6233022407774489
Energy: 0.6041250129577133
Energy: 0.5510231348115338
Energy: 0.5977025406617914
Energy: 0.6377168003696704
Energy: 0.6279040346500515
Energy: 0.6320280086844963
Energy: 0.5966231007931816
Energy: 0.6255004545976224
Energy: 0.6257769832429303
Energy: 0.6632295896251886
Energy: 0.6135854241697462
Energy: 0.5913210568245976
Energy: 0.6146117458383971
Energy: 0.5878195966773997
Energy: 0.6149894707103298
Energy: 0.554233416260974
Energy: 0.5869596975807964
Energy: 0.608896250709303
Energy: 0.6649435474831412
Energy: 0.5990611909625064
Energy: 0.6133460554924347

minimum gb energy = 0.5294208176553085 eV
minimum distance =  2.56527789401999 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.6992781198306719
Energy: 0.6364696704940732
Energy: 0.6386575131755302
Energy: 0.6860793966857255
Energy: 0.6199058395458878
Energy: 0.7913304136308221
Energy: 0.5900039865747078
Energy: 0.6365773640179548
Energy: 0.6417197473661791
Energy: 0.6344447750680321
Energy: 0.6523797129048992
Energy: 0.6475315181956521
Energy: 0.6359544303706669
Energy: 0.6722325590154309
Energy: 0.6732707622653458
Energy: 0.6374453206576567
Energy: 0.6337652926578401
Energy: 0.6040103357434777
Energy: 0.6055404237932275
Energy: 0.647716978685967
Energy: 0.6500269910947921
Energy: 0.6062466018710272
Energy: 0.5882526792858951
Energy: 0.6052953702470711
Energy: 0.616903800186332
Energy: 0.6433748177617189
Energy: 0.6047266005763506
Energy: 0.6173878224049326
Energy: 0.630865020266576
Energy: 0.6448747638614981
Energy: 0.6469824691748429
Energy: 0.5948048986681251
Energy: 0.6190106523849856
Energy: 0.6434785511563108
Energy: 0.5944482098436873
Energy: 0.6575379745501144
Energy: 0.5756962003231978
Energy: 0.6241387032849349
Energy: 0.6263449994582229
Energy: 0.575219492230153
Energy: 0.6152992291601147
Energy: 0.6614064071095935
Energy: 0.5684458938265462
Energy: 0.6543140442253675
Energy: 0.6439259136930345
Energy: 0.5687162271763871
Energy: 0.6344930497938867
Energy: 0.5991500535286867
Energy: 0.5957489202537779
Energy: 0.6168868333036868
Energy: 0.6176956505071285
Energy: 0.5957590879077819
Energy: 0.5764768022804622
Energy: 0.630850625171786
Energy: 0.6102197638809163
Energy: 0.5719653697123125
Energy: 0.5685187300881062
Energy: 0.6141215168677621
Energy: 0.568805595373858
Energy: 0.6055408177662958
Energy: 0.601225527897765
Energy: 0.5713909173044488
Energy: 0.6515595879651493
Energy: 0.6115999375828836
Energy: 0.5545113128831485
Energy: 0.616388802792178
Energy: 0.6176678154112778
Energy: 0.6400673271755164
Energy: 0.6374601545180736
Energy: 0.6388250674660144
Energy: 0.6645183736821033
Energy: 0.6421283258602659
Energy: 0.6357094550982714
Energy: 0.608238555638701
Energy: 0.6263508223732471
Energy: 0.6364782941845047
Energy: 0.6054578621048944
Energy: 0.6457498967500689
Energy: 0.6710581351123899
Energy: 0.6014826560480819
Energy: 0.6350077884817835
Energy: 0.675723263270632
Energy: 0.6022673494531205
Energy: 0.6458803619444001

minimum gb energy = 0.5545113128831485 eV
minimum distance =  2.57831467664238 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 0.6631407600363364
Energy: 0.9433708460119268
Energy: 0.7019058299371806
Energy: 0.829068670861764
Energy: 1.00690847076071
Energy: 0.711816839244943
Energy: 0.622504637323843
Energy: 0.590937509961636
Energy: 0.6030332650404426
Energy: 0.6570109194893367
Energy: 0.595269469642374
Energy: 0.6476918877902713
Energy: 0.6541508829125701
Energy: 0.6423752123040644
Energy: 0.6472477874935497
Energy: 0.6562016192887753
Energy: 0.5831839350303891
Energy: 0.6410972677214555
Energy: 0.58299618631599
Energy: 0.6364860601484286
Energy: 0.6445704065362262
Energy: 0.5833715832266368
Energy: 0.5803408469392122
Energy: 0.648523971787674
Energy: 0.5924995476303433
Energy: 0.5774353977540916
Energy: 0.5763755331018541
Energy: 0.5911345303462489
Energy: 0.5844088668133459
Energy: 0.6296929854168433
Energy: 0.6003521449024912
Energy: 0.5770458303632645
Energy: 0.6411366731166817
Energy: 0.5999764794527671
Energy: 0.5706462077080267
Energy: 0.6424039369352539
Energy: 0.5779538590060241
Energy: 0.6539106451607585
Energy: 0.6492547070038073
Energy: 0.5779638296986102
Energy: 0.5945274489432587
Energy: 0.6370069975625117
Energy: 0.5839948859996089
Energy: 0.5960416944592555
Energy: 0.6239994162641186
Energy: 0.582123842834286
Energy: 0.5860073326654942
Energy: 0.5948635383540228
Energy: 0.5727560841531454
Energy: 0.6069426308066999
Energy: 0.5867070544884613
Energy: 0.5716167761765685
Energy: 0.5838109516692112
Energy: 0.6558979204860369
Energy: 0.572790976192878
Energy: 0.6488281015331442
Energy: 0.654790645797212
Energy: 0.5730565682168017
Energy: 0.6500977053986758
Energy: 0.6204913053981598
Energy: 0.5805131306245773
Energy: 0.6090693201447233
Energy: 0.6297919758267362
Energy: 0.5914102094827103
Energy: 0.6063611455047052
Energy: 0.5913642364795285
Energy: 0.6719178823719385
Energy: 0.6399734264874354
Energy: 0.6321534951139951
Energy: 0.6607248854062207
Energy: 0.635440427720967
Energy: 0.6930960086474516
Energy: 0.5895160369503318
Energy: 0.651812213985709
Energy: 0.6472608106926324
Energy: 0.5902355184755599
Energy: 0.6544134924935915
Energy: 0.6386776604906227
Energy: 0.5748707485069314
Energy: 0.6448394130570696
Energy: 0.6480192880817175
Energy: 0.5764550910031968
Energy: 0.6485958909706988
Energy: 0.6203844219236211
Energy: 0.5805737767168765
Energy: 0.5924054716001254
Energy: 0.6578479323278948
Energy: 0.581088401828394
Energy: 0.5926065872189068
Energy: 0.6459764420761268
Energy: 0.5727665699516593
Energy: 0.5867001142829267
Energy: 0.6006367341200202
Energy: 0.5739981325828802
Energy: 0.5855806052171828
Energy: 0.5785650017305088
Energy: 0.5642291109717876
Energy: 0.6096080420217679
Energy: 0.6432316085828331
Energy: 0.5643405056653659
Energy: 0.602313998305111
Energy: 0.6295612127537109
Energy: 0.6615207887056781
Energy: 0.6293353101154193
Energy: 0.6083743190074467
Energy: 0.6627003258027346
Energy: 0.6310159439483722
Energy: 0.6202684070799769
Energy: 0.5752639872570201
Energy: 0.6063153479387369
Energy: 0.6262716247361093
Energy: 0.5760907014833807
Energy: 0.6032956236625769
Energy: 0.6343378016022787
Energy: 0.5722194659766707
Energy: 0.6531849729810589
Energy: 0.6431518754147432
Energy: 0.5725133274669215
Energy: 0.6293388981703265
Energy: 0.5954976865826982
Energy: 0.6131597724535865
Energy: 0.6405201063503829
Energy: 0.6317287160927864
Energy: 0.6100139395165262
Energy: 0.5903217708933366
Energy: 0.5937947601291877
Energy: 0.5894644694949509
Energy: 0.6014156015747478
Energy: 0.6136013772071001
Energy: 0.5897661022329512
Energy: 0.6046965889019796
Energy: 0.6186459319443565
Energy: 0.581814383585857
Energy: 0.5756142507097404
Energy: 0.5970199264944669
Energy: 0.5819259258975465
Energy: 0.5729594750358741
Energy: 0.6041909226476536
Energy: 0.6089103155707276
Energy: 0.574418540069921
Energy: 0.6233099546214748
Energy: 0.6060237683220694
Energy: 0.5741734696014252
Energy: 0.6316575752468516
Energy: 0.6299839788851858
Energy: 0.6390892077269891
Energy: 0.6077009090900246
Energy: 0.6279018639861511
Energy: 0.6316753979514395
Energy: 0.6128683485404315
Energy: 0.591727799051459
Energy: 0.582183706824616
Energy: 0.6289305654593927
Energy: 0.6005529618631
Energy: 0.563906419496365
Energy: 0.633980282529952
Energy: 0.5840698950351179
Energy: 0.5732426518566549
Energy: 0.5734580905138772
Energy: 0.5848317761194957
Energy: 0.5742502009092779
Energy: 0.6243536174379118
Energy: 0.5961996384276402
Energy: 0.62704103505977
Energy: 0.6459708515279668
Energy: 0.5925833270839106
Energy: 0.5806360856781243
Energy: 0.647833457265354
Energy: 0.6514680951475523
Energy: 0.6286308557377608
Energy: 0.6119287102798513
Energy: 0.6559922389594675
Energy: 0.5734943116692802
Energy: 0.6313246846515694
Energy: 0.65639493415776
Energy: 0.5862211261757598
Energy: 0.6032723826616235
Energy: 0.6583332925188977
Energy: 0.5891535765601609
Energy: 0.6462782889906366
Energy: 0.5905360174653345
Energy: 0.5762886523094194
Energy: 0.6815280650015204
Energy: 0.6423651063258616
Energy: 0.629614236620643
Energy: 0.578760344761707

minimum gb energy = 0.563906419496365 eV
minimum distance =  2.53626050033153 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 0.8521659105774224
Energy: 0.6584323035692521
Energy: 0.5175578232004799
Energy: 0.8532507129801472
Energy: 0.8718881049676963
Energy: 0.7183153276125609
Energy: 0.518077786450717
Energy: 0.5613591529758555
Energy: 0.5598072655908302
Energy: 0.5693565882217735
Energy: 0.5592606793192872
Energy: 0.5966427334107046
Energy: 0.5555955071910832
Energy: 0.5430272378779987
Energy: 0.5467204781640739
Energy: 0.5548547667121786
Energy: 0.5062094429663807
Energy: 0.49798563538582524
Energy: 0.4967539756292502
Energy: 0.5640653466671696
Energy: 0.563539790019736
Energy: 0.4975449581499665
Energy: 0.5101664468876954
Energy: 0.4974789581109293
Energy: 0.5092089537267572
Energy: 0.5554616012951261
Energy: 0.5564012482356684
Energy: 0.5100272849631902
Energy: 0.5542686416452162
Energy: 0.563085174766594
Energy: 0.5084246868876764
Energy: 0.5121420289070832
Energy: 0.5086627030267507
Energy: 0.5087528101551797
Energy: 0.5138276060299979
Energy: 0.5450864225084082
Energy: 0.5109257800492418
Energy: 0.4876097310366586
Energy: 0.595612780686997
Energy: 0.511647023532551
Energy: 0.4921980796158865
Energy: 0.5437326780993936
Energy: 0.5653323954640272
Energy: 0.5120909657156427
Energy: 0.5958725724503733
Energy: 0.5541644022956179
Energy: 0.509666927272489
Energy: 0.541665295895592
Energy: 0.5176139223102677
Energy: 0.49753575811196654
Energy: 0.5402719368540186
Energy: 0.5177739019073588
Energy: 0.5007281468003382
Energy: 0.5433909731055984
Energy: 0.5176100090874415
Energy: 0.5582424081408719
Energy: 0.5405728318098982
Energy: 0.5176103205664511
Energy: 0.5539394416361194
Energy: 0.5434644193794129
Energy: 0.5684153139080789
Energy: 0.598389901009109
Energy: 0.5664224600871463
Energy: 0.5593883001273674
Energy: 0.5000997066563081
Energy: 0.5012245696478935
Energy: 0.6315253181996613
Energy: 0.5642965627902982
Energy: 0.6002500672877086
Energy: 0.631256507257522
Energy: 0.5352622483212262
Energy: 0.4976379642351657
Energy: 0.5004609560160842
Energy: 0.5582047628794005
Energy: 0.50086439373304
Energy: 0.5016129522165057
Energy: 0.5602829990451192
Energy: 0.5651353324310381
Energy: 0.5087603796861722
Energy: 0.5576683541129325
Energy: 0.5584267700576457
Energy: 0.508401371429329
Energy: 0.5572688927870405
Energy: 0.5581289041573073
Energy: 0.5082944117942513
Energy: 0.47805483832452234
Energy: 0.6024213991988843
Energy: 0.5093535602822375
Energy: 0.48061718700622924
Energy: 0.54428300334408
Energy: 0.5555964507277196
Energy: 0.4834892491351783
Energy: 0.4780484235318548
Energy: 0.5552305211870119
Energy: 0.48086136558737513
Energy: 0.5008796702188896
Energy: 0.5179069312720783
Energy: 0.5043106851603483
Energy: 0.563856760170169
Energy: 0.5178483745618709
Energy: 0.5011772404577263
Energy: 0.5969640659831149

minimum gb energy = 0.4780484235318548 eV
minimum distance =  2.57603885292979 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 0.9284304508787975
Energy: 0.8046116566729793
Energy: 0.6726153238104144
Energy: 0.5691451871688614
Energy: 0.9089399581087991
Energy: 0.6998200036076904
Energy: 0.5897221274452505
Energy: 0.5936985754177182
Energy: 0.5889592966625236
Energy: 0.6056624824067623
Energy: 0.5872634885846644
Energy: 0.5985499502789122
Energy: 0.6129413619734262
Energy: 0.6062728006327491
Energy: 0.5904441307234788
Energy: 0.6108978879710915
Energy: 0.6281104583350167
Energy: 0.6107956260123264
Energy: 0.5611246981210585
Energy: 0.5975321775697034
Energy: 0.5853392965672528
Energy: 0.560069888095686
Energy: 0.5805840186018584
Energy: 0.5866247210337272
Energy: 0.5926442639098998
Energy: 0.5951861804666777
Energy: 0.5847416408314052
Energy: 0.5936621119280996
Energy: 0.5996056092078683
Energy: 0.6165937537963394
Energy: 0.5451241730489591
Energy: 0.5940190279088186
Energy: 0.575338937204571
Energy: 0.5456379018736818
Energy: 0.5928778142004489
Energy: 0.5755874240979036
Energy: 0.6424383123721681
Energy: 0.5926230079007894
Energy: 0.5575391760290875
Energy: 0.6433874966120704
Energy: 0.5946946198713773
Energy: 0.5709013189742476
Energy: 0.5906392595283917
Energy: 0.5703721356487887
Energy: 0.5706929648186135
Energy: 0.5756014249157446
Energy: 0.5629153628780981
Energy: 0.5593838635009886
Energy: 0.5806466041141648
Energy: 0.591764530501474
Energy: 0.5832192091394908
Energy: 0.5793193347061911
Energy: 0.5919977044977416
Energy: 0.5724020604927103
Energy: 0.5852538230844389
Energy: 0.5691925550199332
Energy: 0.5634938219009686
Energy: 0.5819592881633693
Energy: 0.5669034089893017
Energy: 0.569019731185968
Energy: 0.5889505377332508
Energy: 0.5572491622088277
Energy: 0.5927004257973519
Energy: 0.586621064606578
Energy: 0.5505608914030142
Energy: 0.6017568420085325
Energy: 0.594058787922901
Energy: 0.5909808427511541
Energy: 0.6147305637212929
Energy: 0.5814985650956405
Energy: 0.5812070036106587
Energy: 0.6251086230073161
Energy: 0.662828610207905
Energy: 0.558605026850912
Energy: 0.5609184714236877
Energy: 0.5975150946952514
Energy: 0.568078007317203
Energy: 0.634737038798095
Energy: 0.6052489716155898
Energy: 0.6046493763266804
Energy: 0.6077898818959394
Energy: 0.6058229361248098
Energy: 0.6080262852173711
Energy: 0.5782649958989634
Energy: 0.6455073405389804
Energy: 0.567953788785599
Energy: 0.5673323329853266
Energy: 0.63220114823452
Energy: 0.5793252923147586
Energy: 0.5805034421260084
Energy: 0.6371421750854745
Energy: 0.5750921411546387
Energy: 0.6027964356380074
Energy: 0.6405637360970148
Energy: 0.5829078605026079
Energy: 0.5717362325415705
Energy: 0.5723431344163027
Energy: 0.6115030706605449
Energy: 0.6092117724713108
Energy: 0.5676230554495988
Energy: 0.6180864361549238
Energy: 0.5990154665410095
Energy: 0.679092146915576
Energy: 0.5813487752477297
Energy: 0.6114664225356358
Energy: 0.679758749681552
Energy: 0.5782229698446927
Energy: 0.648124099549808
Energy: 0.5721193687898899
Energy: 0.6087375738829511
Energy: 0.5981341176641218
Energy: 0.5731802180806329
Energy: 0.6032430761290273
Energy: 0.6196023558638443
Energy: 0.6191497178167948
Energy: 0.6105811528343982
Energy: 0.584864507730861
Energy: 0.611680883655988
Energy: 0.6132796874457894
Energy: 0.6102829107013519
Energy: 0.5635412653423821
Energy: 0.566636375220046
Energy: 0.5624285460019866
Energy: 0.5690398722429723
Energy: 0.565737704141992
Energy: 0.5795042177622198

minimum gb energy = 0.5451241730489591 eV
minimum distance =  2.54697389651236 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 0.5615352183984972
Energy: 0.6178759842883499
Energy: 0.5475075180065143
Energy: 0.5630519681353969
Energy: 0.7387542308034528
Energy: 0.6089792515198211
Energy: 0.5475206435134935
Energy: 0.5624486117847204
Energy: 0.580431493347668
Energy: 0.576454070257533
Energy: 0.5618661911148672
Energy: 0.5987179600654229
Energy: 0.5790495338418762
Energy: 0.6161225986892052
Energy: 0.6163189524155646
Energy: 0.5825371503421451
Energy: 0.566624195071925
Energy: 0.6179259994913676
Energy: 0.563816531340389
Energy: 0.5800131889296383
Energy: 0.5832159440994437
Energy: 0.5646878826970319
Energy: 0.5849565666771159
Energy: 0.5806259562007736
Energy: 0.5690053989165889
Energy: 0.5629876895264354
Energy: 0.566436860319289
Energy: 0.5698101933666911
Energy: 0.5610790151398798
Energy: 0.6217325178480307
Energy: 0.5546004524320274
Energy: 0.5779809660214127
Energy: 0.5772617697905427
Energy: 0.5666689763562718
Energy: 0.5599025434074523
Energy: 0.6041807979825514
Energy: 0.5487661916219696
Energy: 0.5672091064777853
Energy: 0.5998085847221717
Energy: 0.5495096776317572
Energy: 0.5659725234974242
Energy: 0.5872350635896579
Energy: 0.5711236730184154
Energy: 0.5598139025050717
Energy: 0.5615982838398864
Energy: 0.5603019386077744
Energy: 0.5594169094184346
Energy: 0.5801384954788449
Energy: 0.60462577275972
Energy: 0.5840809861961603
Energy: 0.5850680810694471
Energy: 0.6014872063644979
Energy: 0.5824053560645932
Energy: 0.5788657215653639
Energy: 0.5859385300412966
Energy: 0.5688274048052187
Energy: 0.6008627735547521
Energy: 0.561834686269367
Energy: 0.566140385956437
Energy: 0.5827745903987855
Energy: 0.5694928806144347
Energy: 0.6048143956720171
Energy: 0.6062620775532608
Energy: 0.5594015161873205
Energy: 0.5614500160900483
Energy: 0.6215999001302048
Energy: 0.5726561830823154
Energy: 0.5650115023891721
Energy: 0.6074465207540026
Energy: 0.5603912292183183
Energy: 0.5554198589784395
Energy: 0.5786501498993145
Energy: 0.5677498044595456
Energy: 0.5503469492213297
Energy: 0.5601541073768364
Energy: 0.5691949210764112
Energy: 0.5486519644578547
Energy: 0.601072165330516
Energy: 0.5597261837001126
Energy: 0.5624783011552486
Energy: 0.5662189101627048
Energy: 0.5599256392344865
Energy: 0.5602456169977078
Energy: 0.6024703946872285
Energy: 0.5906952365411487
Energy: 0.5788378728386259
Energy: 0.5838388388579067
Energy: 0.5807282010135085
Energy: 0.5878728214280649
Energy: 0.5813803651985009
Energy: 0.5662707519307963
Energy: 0.579216098315791
Energy: 0.5774569848162265
Energy: 0.5670721274693292
Energy: 0.5721955476337072
Energy: 0.5997241597700733
Energy: 0.5693326262795539
Energy: 0.5625721030186142
Energy: 0.5664751868500203
Energy: 0.5707308254338075
Energy: 0.5606289542191756
Energy: 0.6158953393807707
Energy: 0.5546326322288737
Energy: 0.5615116322863638
Energy: 0.5651328524618315
Energy: 0.5631163045321309
Energy: 0.5594084619971748
Energy: 0.6085662218173068
Energy: 0.5441994986964758
Energy: 0.592722598475011
Energy: 0.5992540219477421
Energy: 0.5449631396824992
Energy: 0.5914850106497724
Energy: 0.5890682662566472
Energy: 0.5707485622451459
Energy: 0.592827502924733
Energy: 0.599448360249294
Energy: 0.5615842046743545
Energy: 0.5915124929684311
Energy: 0.5893191754125113
Energy: 0.5703234357872563
Energy: 0.5826058397005961
Energy: 0.5663646295352771
Energy: 0.5892382957498747
Energy: 0.5802945202559352
Energy: 0.5821124046935544
Energy: 0.5586900921564694
Energy: 0.565546929349417
Energy: 0.5669497007188048
Energy: 0.5593295812475745
Energy: 0.57010236096815
Energy: 0.6172413325997921
Energy: 0.5737837660973971
Energy: 0.5990181624338303
Energy: 0.5983632218043275
Energy: 0.5618459590036363
Energy: 0.5619000048924824
Energy: 0.6000813639620817
Energy: 0.5694165292642572
Energy: 0.588270934776611
Energy: 0.6330986328355788
Energy: 0.560755033007759
Energy: 0.5647314043681207
Energy: 0.6309848622149787
Energy: 0.5598617181883137
Energy: 0.5537540362597874
Energy: 0.5790193970285532
Energy: 0.560114726215483
Energy: 0.5443460222274203
Energy: 0.6024169522960311

minimum gb energy = 0.5441994986964758 eV
minimum distance =  2.59796658870341 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 0.8462001328997868
Energy: 0.8099903496725774
Energy: 0.7411177630338728
Energy: 0.731147747662493
Energy: 0.9086924909080156
Energy: 0.738744779515659
Energy: 0.632877117628575
Energy: 0.5848363339728996
Energy: 0.5826444154097317
Energy: 0.6369486624440315
Energy: 0.5872236309307599
Energy: 0.6174871541163811
Energy: 0.6188461531503635
Energy: 0.6563623506896052
Energy: 0.6839794798792546
Energy: 0.6195787674362946
Energy: 0.6408575015063874
Energy: 0.6380229531346735
Energy: 0.5912997295680411
Energy: 0.6147815809622459
Energy: 0.6375138384332414
Energy: 0.5922284726487727
Energy: 0.5929453140706956
Energy: 0.6344304549250924
Energy: 0.5850124079041455
Energy: 0.61890664935285
Energy: 0.6286541215024439
Energy: 0.5861080750109169
Energy: 0.6246020344342949
Energy: 0.6745878926432172
Energy: 0.617768560162723
Energy: 0.6377406695918552
Energy: 0.6405121684448818
Energy: 0.5844666260062049
Energy: 0.6370613259715433
Energy: 0.5964433919645459
Energy: 0.6840461561441309
Energy: 0.7048288054113846
Energy: 0.71100760149848
Energy: 0.6841664432509105
Energy: 0.6868453823093409
Energy: 0.5875978773170129
Energy: 0.628191987167032
Energy: 0.6289618308276135
Energy: 0.5874054128229096
Energy: 0.6197459483191065
Energy: 0.6158335288200139
Energy: 0.5861461926196817
Energy: 0.5873075996727287
Energy: 0.6449522086568269
Energy: 0.6327038080106495
Energy: 0.5881443402282351
Energy: 0.6419135590819857
Energy: 0.6460433444354006
Energy: 0.5894235139632357
Energy: 0.5982809312555663
Energy: 0.6246508575423921
Energy: 0.5885685736217436
Energy: 0.5997975881769771
Energy: 0.6271473567314223
Energy: 0.6113915628839953
Energy: 0.7096662855731913
Energy: 0.647707963489918
Energy: 0.6118745141846096
Energy: 0.7097655145488048
Energy: 0.6066332993007808
Energy: 0.6219608949495695
Energy: 0.587710307902273
Energy: 0.6108476055393635
Energy: 0.608294974257211
Energy: 0.5812441430085561
Energy: 0.6278790383454699
Energy: 0.7074810009027316
Energy: 0.6009637117928878
Energy: 0.5927008191005164
Energy: 0.7025654526160342
Energy: 0.6012472803498815
Energy: 0.6013422637299187
Energy: 0.5949430956520866
Energy: 0.5778634075895487
Energy: 0.5857850735508652
Energy: 0.5932036548332115
Energy: 0.5832451068701945
Energy: 0.5981305112131837
Energy: 0.6265979669154003
Energy: 0.5786032239426351
Energy: 0.6094121153546505
Energy: 0.6214405586819125
Energy: 0.5661985320989896
Energy: 0.634953677162633
Energy: 0.6067548113662119
Energy: 0.560697705299223
Energy: 0.6050511062003773
Energy: 0.6031691643670627
Energy: 0.5664015454966356
Energy: 0.6148428020780856
Energy: 0.7017445723677679
Energy: 0.5779471555292589
Energy: 0.5870581604131752
Energy: 0.6917610978029527
Energy: 0.5816012008827459
Energy: 0.5902274352851423
Energy: 0.5881384955732858
Energy: 0.5899577759735041
Energy: 0.5918368137480491
Energy: 0.5916401029472961
Energy: 0.5893016490397839
Energy: 0.616100868302262
Energy: 0.6106754847999787
Energy: 0.5993037118387168
Energy: 0.6336209610854017
Energy: 0.6105662282096793
Energy: 0.6214801765907338
Energy: 0.5909371585974855
Energy: 0.5747739492453232
Energy: 0.6228370841239236
Energy: 0.6348901528791943
Energy: 0.5750719905991638
Energy: 0.6084593657553763
Energy: 0.5950995239410406
Energy: 0.56145376813792
Energy: 0.6046532406285589
Energy: 0.6084602347426776
Energy: 0.5624181866104219
Energy: 0.6068746923286417
Energy: 0.6338328868120949
Energy: 0.5650129354649223
Energy: 0.6100456019220251
Energy: 0.6312644863663088
Energy: 0.5662147211319988
Energy: 0.6117828011923948
Energy: 0.6134446277906969
Energy: 0.57731618791029
Energy: 0.6270604326189334
Energy: 0.6390941785715719
Energy: 0.5774005778152231
Energy: 0.6236709078823409
Energy: 0.5718101041574372
Energy: 0.586385305013198
Energy: 0.5925764144681951
Energy: 0.6108022471588812
Energy: 0.5859681316951424
Energy: 0.6050070241431629
Energy: 0.5765578244787902
Energy: 0.5737625381421644
Energy: 0.6113150259064666
Energy: 0.6091631109809319
Energy: 0.5747662049360759
Energy: 0.6157641493947493
Energy: 0.6292851872008389
Energy: 0.650068021663087
Energy: 0.5866442787264121
Energy: 0.5899581230147527
Energy: 0.6065229236720641
Energy: 0.5889965715682011
Energy: 0.596280877896923
Energy: 0.5960205365449539
Energy: 0.5960666591780511
Energy: 0.6305835717478011
Energy: 0.5969204088104418
Energy: 0.584539776905416
Energy: 0.6274814540688095
Energy: 0.6237229385724755
Energy: 0.6011284337424425
Energy: 0.6308476117025975
Energy: 0.6423636160980182
Energy: 0.5792211576542151
Energy: 0.6377698403816405
Energy: 0.5959871502939327
Energy: 0.5930317014866515
Energy: 0.593509488427092
Energy: 0.5965803170248924
Energy: 0.5931895138253244
Energy: 0.6020621271027183

minimum gb energy = 0.560697705299223 eV
minimum distance =  2.59019159983349 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 0.8307475979628831
Energy: 0.7853764013232181
Energy: 0.7844102367418301
Energy: 0.8319470764503926
Energy: 0.8895324287182617
Energy: 0.6757469026796197
Energy: 0.6015221195975864
Energy: 0.5658905443406774
Energy: 0.5566331910854416
Energy: 0.6395078650830623
Energy: 0.5674139763587563
Energy: 0.6152098051337627
Energy: 0.6278922487684743
Energy: 0.6203207432180761
Energy: 0.6190846744063537
Energy: 0.6319733343004212
Energy: 0.6639665385782573
Energy: 0.6344615480173837
Energy: 0.573026967589331
Energy: 0.6146205993491145
Energy: 0.6330471422317501
Energy: 0.5931015046861899
Energy: 0.5627790107329607
Energy: 0.6164338284905959
Energy: 0.5578872440300302
Energy: 0.6301755053659861
Energy: 0.6363050926658059
Energy: 0.5592511409378543
Energy: 0.6305217820538421
Energy: 0.6574454965528816
Energy: 0.5613414648613521
Energy: 0.6465736252396572
Energy: 0.612897369562062
Energy: 0.5627918685361306
Energy: 0.6464487088100768
Energy: 0.5759022411650293
Energy: 0.7185103776715999
Energy: 0.6605880830382841
Energy: 0.6795587660718975
Energy: 0.7293058820062736
Energy: 0.7121255891735055
Energy: 0.6763660544232766
Energy: 0.6024035450972777
Energy: 0.6232542910735254
Energy: 0.576268677992942
Energy: 0.602208719989633
Energy: 0.5877317126841829
Energy: 0.5760750354535147
Energy: 0.5476822534414582
Energy: 0.6432865305811203
Energy: 0.6346889888902225
Energy: 0.5512384766888476
Energy: 0.6497174462928058
Energy: 0.6218097526311521
Energy: 0.560874300623519
Energy: 0.6125112774390435
Energy: 0.6049430091708677
Energy: 0.5609202226842888
Energy: 0.5949878751396216
Energy: 0.6099304850447794
Energy: 0.6253428381178368
Energy: 0.590744000707127
Energy: 0.6036198484900549
Energy: 0.6255230758793939
Energy: 0.7614607131366631
Energy: 0.5849129774488776
Energy: 0.5804388105855655
Energy: 0.6093724748433711
Energy: 0.6183715296101888
Energy: 0.5815005569615874
Energy: 0.5900854256043178
Energy: 0.617173883030681
Energy: 0.6573476394891815
Energy: 0.6749876698434746
Energy: 0.6167333702142143
Energy: 0.5808176674239411
Energy: 0.6762966617236696
Energy: 0.585843595678877
Energy: 0.559909852470171
Energy: 0.586716504921144
Energy: 0.5909641962251003
Energy: 0.5475957994776037
Energy: 0.5845882403606977
Energy: 0.6118852557670349
Energy: 0.6332171024868485
Energy: 0.5803085248305256
Energy: 0.5946662619519296
Energy: 0.6106763327677253
Energy: 0.5457250957256891
Energy: 0.6332689324271095
Energy: 0.6446864544060094
Energy: 0.5431467283874031
Energy: 0.6056886522401769
Energy: 0.6401360127798082
Energy: 0.5492197300801913
Energy: 0.6129348500122092
Energy: 0.8224738600000038
Energy: 0.5728756202633275
Energy: 0.5944062986887431
Energy: 0.7640634399206493
Energy: 0.578784284252156
Energy: 0.6371965598238368
Energy: 0.6012711692086629
Energy: 0.552997322987226
Energy: 0.5538259146805907
Energy: 0.6012897351730121
Energy: 0.552811123740628
Energy: 0.6077043641785633
Energy: 0.637063495539324
Energy: 0.6134033189174902
Energy: 0.6116365825172411
Energy: 0.6335698256996243
Energy: 0.5769592511892729
Energy: 0.6146357157675243
Energy: 0.5833811614088048
Energy: 0.6090830318781683
Energy: 0.6266975842586481
Energy: 0.5841432554382616
Energy: 0.54397687506073
Energy: 0.6160793526880382
Energy: 0.5596443835628425
Energy: 0.6420971507737936
Energy: 0.60674071621823
Energy: 0.5610510100838171
Energy: 0.6399861643027165
Energy: 0.6404437062313091
Energy: 0.5592969680182209
Energy: 0.6453252042161836
Energy: 0.6206690639186336
Energy: 0.5604850597035949
Energy: 0.6440097010531842
Energy: 0.6066448187380648
Energy: 0.608310669346602
Energy: 0.6768013283780459
Energy: 0.6743745418904874
Energy: 0.6078726094577873
Energy: 0.5859418104092406
Energy: 0.6527857971921349
Energy: 0.5789728316990714
Energy: 0.6084754025385933
Energy: 0.6136402025980034
Energy: 0.5485465785090514
Energy: 0.5932701412727066
Energy: 0.5503249677337271
Energy: 0.5560448706367918
Energy: 0.6295666241729272
Energy: 0.6253583522988813
Energy: 0.5436142706745438
Energy: 0.6565446355122229
Energy: 0.6137080363479267
Energy: 0.5461192254146945
Energy: 0.6151104063393475
Energy: 0.6204180161934745
Energy: 0.545812545890049
Energy: 0.6091222425998771
Energy: 0.6163023250359013
Energy: 0.575680501887783
Energy: 0.5922097143611373
Energy: 0.6019406258226706
Energy: 0.593103981249877
Energy: 0.5533643535548763
Energy: 0.5865847909312539
Energy: 0.5811666579643249
Energy: 0.5933086631455301
Energy: 0.5924246289225953
Energy: 0.5811659935345741
Energy: 0.5521764094806888
Energy: 0.5985579857068835
Energy: 0.5798853614844095
Energy: 0.5882433994887899
Energy: 0.5846486042576307
Energy: 0.5799398887483854
Energy: 0.5877612269329701
Energy: 0.615408869884544
Energy: 0.6513761246304438
Energy: 0.5845625417126089
Energy: 0.5869016029050501
Energy: 0.5815583928335187
Energy: 0.6368684864566836
Energy: 0.5944837157184665
Energy: 0.5948001505739562
Energy: 0.5467795143952413
Energy: 0.588128405478613
Energy: 0.5957244193088361
Energy: 0.5452121640514692
Energy: 0.6188794822092993
Energy: 0.6480177357245975
Energy: 0.5434032772242378
Energy: 0.577319412443665
Energy: 0.6397661258180612
Energy: 0.5437933305936214
Energy: 0.6249786558548903
Energy: 0.6318223336957624
Energy: 0.5769691208192822
Energy: 0.5839912014971237
Energy: 0.5402557719859926
Energy: 0.5797727643242842
Energy: 0.6033793940903662

minimum gb energy = 0.5402557719859926 eV
minimum distance =  2.60912385165026 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.011682357040155019
Energy: 0.012519595940827749
Energy: 0.012332299269981646
Energy: 0.013474045991435554
Energy: 0.5391474809529239
Energy: 0.012320215792231966
Energy: 0.012640686463125304
Energy: 0.07835720504249503
Energy: 0.07656995326354961
Energy: 0.07821587616049631
Energy: 0.07791191975526032
Energy: 0.0764734793449442
Energy: 0.83460898153154
Energy: 0.5403449347712139
Energy: 0.5381956393507731
Energy: 0.5391946985183232
Energy: 0.6714507780386221
Energy: 0.53843727661785
Energy: 0.3712857417049389
Energy: 0.07835720504282875
Energy: 0.07656995326390297
Energy: 0.07821587616049631
Energy: 0.0779119197549266
Energy: 0.07647347934459084

minimum gb energy = 0.011682357040155019 eV
minimum distance =  2.8277503582536 Angstroms
sigma value = 1