Model name: model_name=MEAM_LAMMPS_LeeJang_2007_FeH__MO_095610951957_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.567322999238968
cohesive_energy=4.225801906650114
mass=55.845
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=[0.0, 3.1107861525744e-19, 3.7156078319094e-19, 4.17195580257162e-19, 4.55479590926592e-19, 4.8827134009467e-19, 5.16706770994902e-19, 5.4154371317517e-19, 5.63323702337766e-19, 5.8244728264119e-19, 5.9922207199917e-19, 6.138932034367079e-19, 6.2665934685642e-19, 6.376839242749739e-19, 6.471047228828939e-19, 6.550387015744619e-19, 6.61588399654254e-19, 6.668387324838719e-19, 6.70866604541748e-19, 6.737425115997779e-19, 6.7552573419342e-19, 6.7627074632823e-19, 6.762723485048639e-19, 6.769949301667979e-19, 6.75839760813684e-19, 6.725937509532e-19, 6.6767667086345385e-19, 6.610212291258179e-19, 6.523101947667599e-19, 6.41162249747388e-19, 6.27111160667208e-19, 6.09594563527686e-19, 5.879203180229339e-19, 5.61237668360298e-19, 5.284939844912399e-19, 4.8836747069271e-19, 4.39203078501786e-19, 3.78887536938222e-19, 3.04714769667192e-19, 2.1316799897706597e-19, 9.96319948559436e-20, -4.2045600970735195e-20, -2.2017271522091395e-19, -4.46191772979294e-19, -7.361280653744699e-19, -1.1129696227510739e-18, -1.6105079524967998e-18, -2.27999348078004e-18, -3.20180580715194e-18, -4.50773998152534e-18, -6.42517691179752e-18, -9.373085787759479e-18, -1.419188836277592e-17, -2.2771896716705398e-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: 0.016737378064142133
Energy: -0.3628302426409128
Energy: -0.3597873000343851
Energy: 0.017497398405804623
Energy: 0.6604751689951013
Energy: 0.0548077895041652
Energy: -0.36283024264595815
Energy: 0.12873105490984585
Energy: 0.12954121774062988
Energy: 0.1286789363905573
Energy: 0.12933862118738668
Energy: 0.12978259122225416
Energy: -0.3597873000334547
Energy: 0.12949945363603244
Energy: 0.1292920081336058
Energy: -0.35207573323602315
Energy: 0.1282900305579904
Energy: 0.12882483791835905
Energy: 0.017497398434431016
Energy: 0.1286812915543909
Energy: -0.3520757332357011
Energy: 0.03273924826949768
Energy: 0.1283267440707422
Energy: -0.417723586312375
Energy: 0.6603908435693961
Energy: 0.12883663712664942
Energy: 0.13032746786323746
Energy: 0.12848759263461557
Energy: 0.13056670415894764
Energy: 0.12868897232335708
Energy: 0.05480778950323484
Energy: 0.129780868760771
Energy: 0.12883523206934544
Energy: -0.41772358573100876
Energy: 0.12933157709608228
Energy: -0.4254338674222689

minimum gb energy = -0.4254338674222689 eV
minimum distance =  2.49507952002341 Angstroms
sigma value = 1


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

Energy: 1.5434357616659446
Energy: 1.7947193756984812
Energy: 0.6166891661728379
Energy: 0.42533624750753607
Energy: 1.3566775440614731
Energy: 0.4779362722183215
Energy: 1.349003385130966
Energy: 0.45030910462600215
Energy: 0.4612836495723913
Energy: 0.5141692985058307
Energy: 0.8468260644642194
Energy: 0.4566615048971742
Energy: 1.464053230666641
Energy: 0.5819574986779265
Energy: 0.43397015575787834
Energy: 0.44072165026869825
Energy: 0.6696643559621503
Energy: 0.45499520407783683
Energy: 1.5528524553213032
Energy: 0.5548558318346616
Energy: 0.45729749601982805
Energy: 0.44279095917058486
Energy: 0.6004784490285724
Energy: 0.44113148629046184
Energy: 1.4031910799705414
Energy: 0.4450396462711976
Energy: 0.45624318326258717
Energy: 0.4095074426372785
Energy: 0.5209697486631727
Energy: 0.47307213711124124
Energy: 1.3547200879499979
Energy: 0.5282232747736862
Energy: 0.5032918395134477
Energy: 0.4909418891634099
Energy: 0.5383073367254453
Energy: 0.5268436583116041
Energy: 1.3844139883731055
Energy: 0.5268888987031533
Energy: 0.5141920352687532
Energy: 0.48222029925937177
Energy: 0.49488987284748825
Energy: 0.5127223381664261
Energy: 1.2987351173552215
Energy: 0.4844543987460069
Energy: 0.4771705746626897
Energy: 0.4803206137461284
Energy: 0.48132104072247994
Energy: 0.5194170040386187
Energy: 1.0365294744278515
Energy: 0.4927230926990179
Energy: 0.5007795221524018
Energy: 0.5619024055916785
Energy: 0.501521774440667
Energy: 0.4960573544312143
Energy: 1.04357088402352
Energy: 0.43690227777707125
Energy: 0.43403035555689123
Energy: 0.5381221957719414
Energy: 0.4236445290710128
Energy: 0.4419973596546543
Energy: 1.2399648641051775
Energy: 0.39062603183934375
Energy: 0.4115318870844393
Energy: 0.5013013150487879
Energy: 0.3918088314708816
Energy: 0.49927979082242274
Energy: 0.8415862060112766
Energy: 0.45339093233742833
Energy: 0.4645505938841427
Energy: 0.7282278934311042
Energy: 0.4810420747814612
Energy: 0.4605699049426211
Energy: 0.9282606132650892
Energy: 0.44120985944948893
Energy: 0.4465255001725021
Energy: 0.8899960477472717
Energy: 0.39769994347703835
Energy: 0.45265241861127953
Energy: 0.9019053725006884
Energy: 0.39641734990846095
Energy: 0.40285155730083966
Energy: 0.29269304299445703
Energy: 0.3872615659971768
Energy: 0.39619217236056464
Energy: 0.976778648819465
Energy: 0.45710327492969316
Energy: 0.45323915477445226
Energy: 0.5962242558839475
Energy: 0.45159519734597703
Energy: 0.4561485776703748
Energy: 0.8693917463070143
Energy: 0.5293197221445487
Energy: 0.522316978633729
Energy: 0.6407593467814983
Energy: 0.5804327945628529
Energy: 0.5128979265310977
Energy: 1.1890885305158712
Energy: 0.44591806658455724
Energy: 0.45025372700830185
Energy: 0.4782488144154064
Energy: 0.44514937255777415
Energy: 0.48429794011887656
Energy: 1.1921111390124761
Energy: 0.49765098125422114
Energy: 0.49227707261011067
Energy: 0.49841736367649286
Energy: 0.4898875568222715
Energy: 0.5025811004059976
Energy: 1.154071756928415
Energy: 0.5075582759016092
Energy: 0.5130471677787296
Energy: 0.507196780930494
Energy: 0.5083504035048011
Energy: 0.5022237732659764
Energy: 1.4118635574501093
Energy: 0.49454606333037665
Energy: 0.5016006758263024
Energy: 0.4923843573244583
Energy: 0.4934646444444197
Energy: 0.5026702399475393
Energy: 1.4548011656817061
Energy: 0.4605086755284591
Energy: 0.4413309733968035
Energy: 0.45833227231672224
Energy: 0.4771231675379711
Energy: 0.4262588255006631
Energy: 1.3247419375409013
Energy: 0.6776621537454789
Energy: 0.5199205585260849
Energy: 0.4790710805124236
Energy: 0.6861093684191081
Energy: 0.5064991223950308
Energy: 1.4461225196264016
Energy: 0.449088401815717
Energy: 0.4468726352137414
Energy: 0.4152175482120287
Energy: 0.46956401128335423
Energy: 0.4525455504706369

minimum gb energy = 0.29269304299445703 eV
minimum distance =  2.36470520789301 Angstroms
sigma value = 33


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

Energy: 2.203008519269688
Energy: 1.478324246607382
Energy: 0.718429665758189
Energy: 0.6567612441494437
Energy: 0.49476023903536603
Energy: 1.4954864140735815
Energy: 1.3241855379226992
Energy: 0.710464546156359
Energy: 0.5439845693572933
Energy: 0.5290157578450252
Energy: 0.5811035272110682
Energy: 0.5597843807064974
Energy: 1.523223214247013
Energy: 0.5919482723223388
Energy: 0.5384064588385167
Energy: 0.658732608979727
Energy: 0.7256179822918689
Energy: 0.9665942938936413
Energy: 1.5229973983773768
Energy: 0.8207110538120053
Energy: 0.7110960331654221
Energy: 0.647238591734546
Energy: 0.6574719558322175
Energy: 0.6872876955339887
Energy: 1.608237477635947
Energy: 0.7328345430977345
Energy: 0.5815422177212294
Energy: 0.5777659144575357
Energy: 0.7254061990570518
Energy: 0.8116583911292421
Energy: 1.2326679654108943
Energy: 0.5592134357873341
Energy: 0.5956131286179329
Energy: 0.5401767066783801
Energy: 0.9994306658480202
Energy: 0.9176401968491257
Energy: 0.6539969807030412
Energy: 0.6812770784828088
Energy: 0.70845716426721
Energy: 0.659187480199653
Energy: 0.6948531930952496
Energy: 0.673154900871345
Energy: 1.173247844924152
Energy: 0.6788293681312483
Energy: 0.6892679121886439
Energy: 0.7106697557201542
Energy: 0.68147618236092
Energy: 0.685452936290601
Energy: 0.9988957607945858
Energy: 0.6842078579134203
Energy: 0.9507775734542208
Energy: 0.664903693848714
Energy: 0.6845658724747958
Energy: 0.6762996664299564
Energy: 1.0314595166516234
Energy: 0.6273884311357644
Energy: 0.6442854945985588
Energy: 0.6603609394602505
Energy: 0.6683322950888055
Energy: 0.7254580411192998
Energy: 0.8388526691166551
Energy: 0.6334645707037423
Energy: 0.598008731068874
Energy: 1.0762423932973582
Energy: 0.5453084801853186
Energy: 0.6082574487917178
Energy: 0.837771256266634
Energy: 0.6430232283840677
Energy: 0.6501428831299877
Energy: 0.8961531660080403
Energy: 0.5509141922697101
Energy: 0.7329844790685437
Energy: 0.7964747220698466
Energy: 0.898233046848418
Energy: 0.9267433288044652
Energy: 0.7893335654693713
Energy: 0.6868500363123865
Energy: 0.6824978601532493
Energy: 0.7494290764411913
Energy: 0.6369271713114453
Energy: 0.6607118215235914
Energy: 0.7573622027724084
Energy: 0.6717487399471294
Energy: 0.6409468968001687
Energy: 0.7896974507800816
Energy: 0.6964848354396563
Energy: 0.7693924558313665
Energy: 0.7823348298483077
Energy: 0.6594163606985946
Energy: 0.6627648351205604
Energy: 1.2371831506192694
Energy: 0.9463280280590742
Energy: 0.9057435227323528
Energy: 1.0471016054650124
Energy: 0.6616424862494202
Energy: 0.5515928887448918
Energy: 1.0039442952239324
Energy: 0.7087945286287036
Energy: 0.8969562070093843
Energy: 0.6442923987589514
Energy: 0.957550102063994
Energy: 0.6708288287634608
Energy: 1.0200025888159858
Energy: 0.693257661200467
Energy: 0.9109826971879352
Energy: 0.6822115990094516
Energy: 0.5363285090553974
Energy: 0.6796006230898758
Energy: 1.0360818845961426
Energy: 0.6854574700802123
Energy: 0.6819121237949668
Energy: 0.6748769609387961
Energy: 0.8154214194472936
Energy: 0.6833264540843612
Energy: 1.2395630955568533
Energy: 0.6505357060961123
Energy: 0.6258283356624436
Energy: 0.8997163323087299
Energy: 0.6570298913897282
Energy: 0.6357139400930473
Energy: 1.6059512734294725
Energy: 0.7479618820187286
Energy: 0.6545165844111597
Energy: 0.7012363151147931
Energy: 0.720159537672355
Energy: 0.5799861294391413
Energy: 1.114928577331212
Energy: 0.6294866639360969
Energy: 0.747970275328237
Energy: 0.6051661501612258
Energy: 0.8082784925957773
Energy: 0.7379773373578346
Energy: 1.2028939830351435
Energy: 0.6219402815998665
Energy: 0.7247813664257629
Energy: 0.8707944290061759
Energy: 0.773838444955205
Energy: 0.6463446757453838
Energy: 1.5268676050299221
Energy: 0.9568713088497166
Energy: 0.7482573562462917
Energy: 0.65876237471336
Energy: 0.7976860060999935
Energy: 0.5921086430900713
Energy: 1.2510324941804587
Energy: 0.6834366682970171
Energy: 0.8978866065068546
Energy: 0.8792680112210368
Energy: 1.0237391810746397
Energy: 0.6441003194082523
Energy: 0.5477296445302688
Energy: 1.006275430725137
Energy: 0.652546952560875
Energy: 0.6628284795299768
Energy: 0.8502200448765015
Energy: 0.5414248555321407
Energy: 1.569303043040788
Energy: 0.6777714876277703
Energy: 0.6745938842612795
Energy: 0.9148353586014738
Energy: 0.7782814465530521
Energy: 0.9250663615074607
Energy: 1.1701060616397194
Energy: 0.6883238892418961
Energy: 0.689053623353723
Energy: 0.7528041004335615
Energy: 0.6796951664540685
Energy: 0.7722081523908164
Energy: 0.9528820258549395
Energy: 0.6926404195990322
Energy: 0.6894969326009968
Energy: 0.6918288894054594
Energy: 0.6892488829999026
Energy: 0.9666505729565792
Energy: 1.004848418492835
Energy: 0.6554866355611819
Energy: 0.6444708507998701
Energy: 0.6792526063972366
Energy: 0.9309195567514331
Energy: 0.6590804138511335
Energy: 1.0561575753266481
Energy: 0.5535317103002906
Energy: 0.5621105591042819
Energy: 0.687574774271341
Energy: 0.6941883098916274
Energy: 0.6711832593786267
Energy: 0.8595070209792861
Energy: 0.565269140003719
Energy: 0.5699615815972484
Energy: 0.7950046778703358
Energy: 0.7396871344707379
Energy: 0.665879747809679
Energy: 0.8179882539541945
Energy: 0.6423414189337028
Energy: 0.6497030280189684
Energy: 0.7867431051700522
Energy: 0.896338804329836
Energy: 0.7046474910709041
Energy: 0.7576129709342143
Energy: 0.6746029876111646
Energy: 0.7057802185085771
Energy: 0.797896732288774
Energy: 0.6852438880440367
Energy: 0.9986805317983061
Energy: 0.862024037215725
Energy: 0.6573195560402623
Energy: 0.6531049669383814
Energy: 0.8317585508085453
Energy: 0.8648957753904805
Energy: 0.7752352982993936
Energy: 1.2261450607783846
Energy: 0.5548158523653679
Energy: 0.6979050285389162
Energy: 0.7115948771593638
Energy: 0.9445137935873813
Energy: 0.9492093829295625
Energy: 1.191799645361158
Energy: 0.521941551912608
Energy: 0.5654737804546986
Energy: 0.5264201041397207
Energy: 0.5255305882022487
Energy: 0.5963974332671346
Energy: 1.3473608605795153
Energy: 0.7439053412530142
Energy: 0.574455341266713
Energy: 0.6798878601903469
Energy: 0.5696952054491867
Energy: 0.99095015978275
Energy: 1.3567858856308168
Energy: 0.5936921135481391
Energy: 0.5781464595757033
Energy: 0.6762546493052545
Energy: 0.5629875092053545
Energy: 0.6975201306664336
Energy: 1.5630469034691898
Energy: 0.6189559659472551
Energy: 0.5459263808063822
Energy: 0.5250337595326647
Energy: 0.5921939426082925
Energy: 0.5462769545518285
Energy: 1.3301949779107247
Energy: 0.5921409198079007
Energy: 0.6182308675793098
Energy: 0.5486506098723732
Energy: 0.5483834642620998
Energy: 0.6940210686764828

minimum gb energy = 0.49476023903536603 eV
minimum distance =  2.25983443792451 Angstroms
sigma value = 51


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

Energy: 1.6615570860810434
Energy: 0.44868572210489
Energy: 0.5652857664019691
Energy: 0.44886268461356926
Energy: 0.7020893457971822
Energy: 0.6505350239501839
Energy: 1.330201632771528
Energy: 0.6785166502224881
Energy: 0.6017754483590474
Energy: 0.3390454248683863
Energy: 0.9092850768790165
Energy: 0.3372645766483158
Energy: 1.3959980119366713
Energy: 0.3169329061138334
Energy: 0.33871408616048154
Energy: 0.366976866768813
Energy: 0.8850858056536977
Energy: 0.3421239630751942
Energy: 1.4013268994435715
Energy: 0.43450669969982064
Energy: 0.4235864598237279
Energy: 0.6023358591006727
Energy: 0.4504450082900579
Energy: 0.6144245584833382
Energy: 1.3587292913749602
Energy: 0.33607627310034116
Energy: 0.621104631524482
Energy: 0.3479009573661418
Energy: 0.6931528093037302
Energy: 0.3335817116169545
Energy: 1.185771906982151
Energy: 0.683532719117347
Energy: 0.3778540005898483
Energy: 0.4009788572803167
Energy: 0.7005267546129448
Energy: 0.3719936995074185
Energy: 1.1850696305421864
Energy: 0.3298084322653789
Energy: 0.32340251335402026
Energy: 0.3958263299981267
Energy: 0.3465169736918257
Energy: 0.3335554543007379
Energy: 1.2200178751963817
Energy: 0.6549660860957534
Energy: 0.6454217603634969
Energy: 0.47763371078901384
Energy: 0.38465758555496554
Energy: 0.657917629735604
Energy: 0.9034879819625661
Energy: 0.6649260148796735
Energy: 0.677995259859502
Energy: 0.8347910671603977
Energy: 0.4004266026299116
Energy: 0.34624375347293873
Energy: 0.9145932147173695
Energy: 0.2954365458536056
Energy: 0.3281283350687656
Energy: 0.8699394969416886
Energy: 0.32207172816330776
Energy: 0.6036738701051667
Energy: 0.9436758307613133
Energy: 0.538009678568104
Energy: 0.5457367874334393
Energy: 0.8870431900793877
Energy: 0.5084795969813165
Energy: 0.6265290535063254
Energy: 1.0638540844205175
Energy: 0.3234434301691738
Energy: 0.575232290778102
Energy: 0.7413174943636435
Energy: 0.529696529345187
Energy: 0.5750263292386039
Energy: 0.9853010391795699
Energy: 0.6908734574456569
Energy: 0.7093635050480905
Energy: 0.7923056640801202
Energy: 0.41899367752229594
Energy: 0.388513014152603
Energy: 1.336155792860663
Energy: 0.41770456071470036
Energy: 0.6773093023949025
Energy: 0.6683093443174816
Energy: 0.42091415093518453
Energy: 0.6940747222837967
Energy: 1.3167031040882353
Energy: 0.6870734410708502
Energy: 0.6901855551148564
Energy: 0.6591987596879347
Energy: 0.6777232340477954
Energy: 0.6783346264089745
Energy: 1.273086409660932
Energy: 0.7097059355829697
Energy: 0.4192504932751512
Energy: 0.6406169563532961
Energy: 0.6744992390814661
Energy: 0.6708690041438699
Energy: 1.3387310262082666
Energy: 0.3252613678735723
Energy: 0.35171740955425757
Energy: 0.3131308588164963
Energy: 0.7743901169508228
Energy: 0.33105877737749767
Energy: 1.5083347643822118
Energy: 0.5765021644139452
Energy: 0.47139540142383296
Energy: 0.5584043782062046
Energy: 0.6422678644642665
Energy: 0.5853909910038236

minimum gb energy = 0.2954365458536056 eV
minimum distance =  2.37457128254784 Angstroms
sigma value = 19


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

Energy: 1.4248480678873416
Energy: 0.8223105642082995
Energy: 0.673899202624279
Energy: 0.26991053346003163
Energy: 1.3206354991525886
Energy: 0.6813020968805765
Energy: 1.43707855088484
Energy: 0.6066136771025695
Energy: 0.6094389848690437
Energy: 0.5993520163933759
Energy: 0.597004285059103
Energy: 0.5878855863222037
Energy: 1.139038521307644
Energy: 0.8429003021577578
Energy: 0.8451962121379423
Energy: 0.5794777989384293
Energy: 0.6202086359121988
Energy: 0.5800830625487383
Energy: 1.019745000759583
Energy: 0.665707152974023
Energy: 0.6768074789097102
Energy: 0.7213646174974693
Energy: 0.6213974956264778
Energy: 0.6783784807473181
Energy: 1.2833205316233416
Energy: 0.6157634169081007
Energy: 0.58853361796144
Energy: 0.5784261725022602
Energy: 0.6322736813443762
Energy: 0.5745350933745829
Energy: 0.8497735320413979
Energy: 0.7876782487978495
Energy: 0.5530155088869962
Energy: 0.5625874921363054
Energy: 0.8303689738603824
Energy: 0.5623978806415781
Energy: 0.9018883467449632
Energy: 0.5841622038269026
Energy: 0.5688131603380213
Energy: 0.5881089634244338
Energy: 0.5698257318498023
Energy: 0.5702757308593863
Energy: 0.8628632626025233
Energy: 0.4934539610369933
Energy: 0.5114936426522168
Energy: 0.6122050932569899
Energy: 0.4527005640436641
Energy: 0.5102660923859292
Energy: 0.6345711571297331
Energy: 0.5050120293028582
Energy: 0.5080922643233371
Energy: 0.616151484818032
Energy: 0.757358305689697
Energy: 0.7915878658768198
Energy: 0.6270742712044386
Energy: 0.5775575745058253
Energy: 0.5695664095688074
Energy: 0.6258764406155705
Energy: 0.5559345790641014
Energy: 0.5975175988003238
Energy: 0.6378603091215087
Energy: 0.6152757606155002
Energy: 0.4843627427131868
Energy: 0.8445224743710825
Energy: 0.6958902121085846
Energy: 0.6148441381615666
Energy: 0.9898260179161962
Energy: 0.5911429263115587
Energy: 0.5924613731824484
Energy: 0.6611189400014351
Energy: 0.5793533572487182
Energy: 0.6092309417172868
Energy: 0.8373784731627513
Energy: 0.6273525768483434
Energy: 0.5625034051470653
Energy: 0.8037646622535151
Energy: 0.5809403438334515
Energy: 0.5515023036316313
Energy: 1.1352013358612758
Energy: 0.4902948682998867
Energy: 0.5717338897480209
Energy: 0.5717276252759271
Energy: 0.49012858421257
Energy: 0.570492610105463
Energy: 1.1633964490472777
Energy: 0.8438894258027063
Energy: 0.592218689990012
Energy: 0.7469283850752226
Energy: 0.8551092828517423
Energy: 0.7815056546180713
Energy: 1.1351155519252236
Energy: 0.8394328897137793
Energy: 0.506190312823921
Energy: 0.3538587921282839
Energy: 0.6085234048692352
Energy: 0.544339879686937
Energy: 1.3332038297098998
Energy: 0.6198908679508077
Energy: 0.5973030944577196
Energy: 0.5698599140806566
Energy: 0.6179472005336367
Energy: 0.5825060201898431
Energy: 1.0285601141654488
Energy: 0.8367495335140068
Energy: 0.6153116530352668
Energy: 1.0026340720080709
Energy: 0.8443964394732373
Energy: 0.8449526965759425
Energy: 1.0259478369794583
Energy: 0.6031448749668152
Energy: 0.6036523801346706
Energy: 0.6711112453962905
Energy: 0.8449773715406126
Energy: 0.5966316520494525
Energy: 1.048560972722441
Energy: 0.7917666337166415
Energy: 0.582083074829415
Energy: 0.5787825480132361
Energy: 0.8090907692692421
Energy: 0.5764067669723812
Energy: 0.8886010490332733
Energy: 0.5844661898987885
Energy: 0.5720887888098424
Energy: 0.49531709448337397
Energy: 0.6035231779104013
Energy: 0.47846974016454025
Energy: 0.952608344404298
Energy: 0.5478108258893153
Energy: 0.5939353556623239
Energy: 0.5777286945886733
Energy: 0.5811712175738395
Energy: 0.592884289954483
Energy: 0.9737170436225862
Energy: 0.27938288596330524
Energy: 0.45499736014716996
Energy: 0.8251534764202112
Energy: 0.28577905256661584
Energy: 0.3134438016609658
Energy: 0.6290644440609033
Energy: 0.576363010527414
Energy: 0.5929551113013792
Energy: 0.6354185727593448
Energy: 0.7754578876564082
Energy: 0.5911663796487586
Energy: 0.6314599292264187
Energy: 0.5952831225019475
Energy: 0.5867142694952017
Energy: 0.6449676791446352
Energy: 0.5765873630665354
Energy: 0.859121291545335
Energy: 0.8678972638878916
Energy: 0.6491829219357209
Energy: 0.6421115991799636
Energy: 0.8503260521498983
Energy: 0.7403277990268344
Energy: 0.6894720773811597
Energy: 0.9938428879984331
Energy: 0.5787921352488904
Energy: 0.5712423653009547
Energy: 0.617931185025942
Energy: 0.5872263745523464
Energy: 0.5933312852098138
Energy: 0.8296219591346589
Energy: 0.5794808674908576
Energy: 0.5573312431132276
Energy: 0.7928845196331783
Energy: 0.5650484919859642
Energy: 0.5660513006811537
Energy: 0.9724620056337183
Energy: 0.5786657246592317
Energy: 0.5722188456451397
Energy: 0.5756581618079739
Energy: 0.5423610832510696
Energy: 0.574585325817648
Energy: 1.135305705828917
Energy: 0.8383646372881344
Energy: 0.5162545802412808
Energy: 0.44209445637394734
Energy: 0.6092950296542458
Energy: 0.5095738820159854

minimum gb energy = 0.26991053346003163 eV
minimum distance =  2.35367948249621 Angstroms
sigma value = 27


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

Energy: 1.1244413805105757
Energy: 0.868295703246089
Energy: 0.6468738683529436
Energy: 0.33329393286447384
Energy: 1.4293601935748474
Energy: 0.6055810715867593
Energy: 1.0402559789848267
Energy: 0.5392954476814092
Energy: 0.33452682350955015
Energy: 0.5387599244309841
Energy: 0.6807999538603494
Energy: 0.34027780134990604
Energy: 1.4492517601711998
Energy: 0.5411311908362478
Energy: 0.5435934043365844
Energy: 0.31627417802572544
Energy: 0.6770319617474869
Energy: 0.5589854161881804
Energy: 1.2217362842673822
Energy: 0.7032050918828021
Energy: 0.706797464463697
Energy: 0.4571287136328116
Energy: 0.6870900386302435
Energy: 0.34133878576670357
Energy: 1.1989092696898842
Energy: 0.5032063197538238
Energy: 0.3498256991573875
Energy: 0.33664369813718087
Energy: 0.5079226930369559
Energy: 0.35140693939446294
Energy: 0.9179212101671408
Energy: 0.5011994439985599
Energy: 0.5490818682002052
Energy: 0.7780399443799749
Energy: 0.2770118703116617
Energy: 0.5456123567928256
Energy: 0.8180744167729292
Energy: 0.34848158369017834
Energy: 0.34927196386731635
Energy: 0.8048271325404395
Energy: 0.34529117837111367
Energy: 0.36460830298526564
Energy: 0.9668665761995618
Energy: 0.5055398943994638
Energy: 0.5140488718714751
Energy: 0.9636790351613683
Energy: 0.5029046792879196
Energy: 0.48513338580576193
Energy: 0.8671378275795041
Energy: 0.48238805228814025
Energy: 0.27543166360166044
Energy: 0.32777043515802495
Energy: 0.48563016727178765
Energy: 0.3657395600720718
Energy: 0.7830214872789499
Energy: 0.3499674626383791
Energy: 0.3740822172344838
Energy: 0.31841924471693384
Energy: 0.5402994054146997
Energy: 0.5851948994188071
Energy: 0.7249973905641031
Energy: 0.2651234149272802
Energy: 0.27552161069499526
Energy: 0.3275367893102611
Energy: 0.2598811831107427
Energy: 0.41600174768475806
Energy: 1.0402559907420739
Energy: 0.5488791323384237
Energy: 0.3531866617060768
Energy: 0.33959036887925254
Energy: 0.5406530455467005
Energy: 0.3399551417190316

minimum gb energy = 0.2598811831107427 eV
minimum distance =  2.33579625832463 Angstroms
sigma value = 9


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

Energy: 2.079975532708641
Energy: 1.8195976554037483
Energy: 0.617187095391984
Energy: 0.545679812319974
Energy: 0.6411677322696593
Energy: 0.6456287678344729
Energy: 0.9791222362251558
Energy: 0.4571566221617722
Energy: 0.4415696974814934
Energy: 0.42455682615171547
Energy: 0.4677147363991846
Energy: 0.4655878108628581
Energy: 1.0630210466034298
Energy: 0.4306763721681579
Energy: 0.4253245572546117
Energy: 0.39510352109165847
Energy: 0.49218150108923026
Energy: 0.4316699244135179
Energy: 1.0583885837770977
Energy: 0.5334300107361516
Energy: 0.5400408526303436
Energy: 0.531805373851927
Energy: 0.5227925193698153
Energy: 0.5222988128050452
Energy: 1.0300089389976175
Energy: 0.39871573120873033
Energy: 0.36707595537934895
Energy: 0.5037661216966588
Energy: 0.3468651287128681
Energy: 0.40967633016694666
Energy: 0.6816045800148912
Energy: 0.3058628901039558
Energy: 0.34417353508267245
Energy: 0.48035885783899385
Energy: 0.40974980615499057
Energy: 0.6189129252637435
Energy: 0.600536518016894
Energy: 0.4082732397010068
Energy: 0.3933825949132679
Energy: 0.5758084839199012
Energy: 0.3917716678840483
Energy: 0.3958771687138699
Energy: 0.7776186196785095
Energy: 0.30258242623866144
Energy: 0.5154106621188387
Energy: 0.5823385712963202
Energy: 0.2986812345395058
Energy: 0.616536157633462
Energy: 0.9822491109464788
Energy: 0.4223952777844915
Energy: 0.3739293860905523
Energy: 0.3738001674662938
Energy: 0.43415493883334366
Energy: 0.398961833380118
Energy: 1.2367353866134128
Energy: 0.5487100319807177
Energy: 0.4991879744480678
Energy: 0.5474004045637189
Energy: 0.6230982231534996
Energy: 0.5734243204783633
Energy: 1.2293765002694046
Energy: 0.35637861191113607
Energy: 0.35664037016847405
Energy: 0.37072394160057265
Energy: 0.37768590241345995
Energy: 0.37599637678256276
Energy: 0.9824026976592009
Energy: 0.4148863790162478
Energy: 0.43064452741621595
Energy: 0.39421522115052987
Energy: 0.4127757440213636
Energy: 0.420402380889765
Energy: 1.7628931974258195
Energy: 0.761237168812497
Energy: 1.0391199407451974
Energy: 0.4151586077327501
Energy: 0.5858035835108015
Energy: 0.6459899296379834
Energy: 0.9175178501422355
Energy: 0.3985525240594476
Energy: 0.43383316245564985
Energy: 0.47230185453011986
Energy: 0.45991203055552093
Energy: 0.43580985499241726
Energy: 0.7859325036599532
Energy: 0.312006658238624
Energy: 0.3108256980475771
Energy: 0.4106381633628616
Energy: 0.2948380663655283
Energy: 0.4683136073625316
Energy: 0.6279341510370059
Energy: 0.4382839352032381
Energy: 0.4571316412155954
Energy: 0.5621095287598021
Energy: 0.4167616233439546
Energy: 0.42008684578638944
Energy: 0.661655629327525
Energy: 0.3574506445135653
Energy: 0.35700318039357437
Energy: 0.41053073498425907
Energy: 0.38605449902095945
Energy: 0.42854105999549863
Energy: 0.9023766487503648
Energy: 0.364858324164402
Energy: 0.4490542332336403
Energy: 0.6928486192107964
Energy: 0.3048583274916313
Energy: 0.324160426955591
Energy: 0.786476032417332
Energy: 0.4494322010811951
Energy: 0.4778153253654769
Energy: 0.4198319133954836
Energy: 0.4484080567696506
Energy: 0.49311685680749445
Energy: 0.7554046692815871
Energy: 0.37842687866449215
Energy: 0.4396512238387382
Energy: 0.4667396876262629
Energy: 0.38708128356189203
Energy: 0.4496746601051168
Energy: 0.9008382621759701
Energy: 0.4570415320965863
Energy: 0.4442627213402163
Energy: 0.4260184015459408
Energy: 0.4518502067164021
Energy: 0.4578388126527564
Energy: 0.7498530665445446
Energy: 0.3775411818868272
Energy: 0.3968443520945792
Energy: 0.2969550276992576
Energy: 0.6108845815572785
Energy: 0.33507270943599293
Energy: 0.3721183790044935
Energy: 0.45299253315036353
Energy: 0.4185445968262578
Energy: 0.39286607851591393
Energy: 0.43963975300960434
Energy: 0.41932800807590626
Energy: 0.923292258926643
Energy: 0.40792954476998755
Energy: 0.4182085768554695
Energy: 0.41726285468091534
Energy: 0.4582162843183695
Energy: 0.4465499695680669
Energy: 1.1731743613917318
Energy: 0.5146543683332249
Energy: 0.4571292653670141
Energy: 0.43759231692052397
Energy: 0.5042467032803339
Energy: 0.35557905047680854
Energy: 0.9376635113219092
Energy: 0.4540670079551671
Energy: 0.4164717413948037
Energy: 0.4717202178193589
Energy: 0.45694313439508283
Energy: 0.406354428955979
Energy: 1.0412641395982383
Energy: 0.7813347968785557
Energy: 0.3674113039312471
Energy: 0.8191768052632902
Energy: 0.654102225371044
Energy: 0.6670219791636152
Energy: 0.5989480621323898
Energy: 0.4016802106981182
Energy: 0.4272721199284732
Energy: 0.48699155805734645
Energy: 0.39374913256620825
Energy: 0.3974435301890358
Energy: 0.6121158834077908
Energy: 0.41117360664425506
Energy: 0.4038940713496899
Energy: 0.5941177146435672
Energy: 0.39805798495127753
Energy: 0.373521934304271
Energy: 0.6100919687593738
Energy: 0.2913184067610408
Energy: 0.47206612148279525
Energy: 0.5282315078033691
Energy: 0.30793399508776453
Energy: 0.4872316313863948
Energy: 1.2394006057046274
Energy: 0.3594295684532264
Energy: 0.3886194026020715
Energy: 0.3453901945340765
Energy: 0.36236741100347475
Energy: 0.38046952976462617
Energy: 1.233445646410919
Energy: 0.6979234521985264
Energy: 0.698628014120779
Energy: 0.5492343371298737
Energy: 0.6883920717923326
Energy: 0.562199265498684
Energy: 0.9044485043480279
Energy: 0.43236736001814474
Energy: 0.39208415920479
Energy: 0.3649109451729247
Energy: 0.5933926121530387
Energy: 0.3883193808670068
Energy: 1.2302986406403609
Energy: 0.3354771487282909
Energy: 0.4083012300686726
Energy: 0.29578779807765143
Energy: 0.554463080358879
Energy: 0.491978410192291
Energy: 1.0070887069202143
Energy: 0.400648113718236
Energy: 0.42003181952603696
Energy: 0.374216753269653
Energy: 0.3990170661688754
Energy: 0.39536343327713175
Energy: 0.9101278025476737
Energy: 0.3565629160026431
Energy: 0.3846485419521041
Energy: 0.5131161276320013
Energy: 0.30142802153461573
Energy: 0.5430980952782583
Energy: 0.6202522956273064
Energy: 0.4087623480409891
Energy: 0.43287338547155907
Energy: 0.437139787188112
Energy: 0.40411539485175707
Energy: 0.4314433126166437
Energy: 0.6194701265483886
Energy: 0.35501486274566535
Energy: 0.47244901806580203
Energy: 0.42822349169847046
Energy: 0.37821560640644397
Energy: 0.4378325084178926
Energy: 1.3101085321389128
Energy: 0.5864578898852961
Energy: 0.6964968585857269
Energy: 0.5499375207831954
Energy: 0.7040720421535893
Energy: 0.5259906461008484
Energy: 0.7681852124957003
Energy: 0.36835362157376256
Energy: 0.4763658099495798
Energy: 0.5585704530410358
Energy: 0.37199658951789283
Energy: 0.4610357729186736
Energy: 0.7643777583986293
Energy: 0.42858705151113685
Energy: 0.45035230886254785
Energy: 0.4927046638915918
Energy: 0.4096740221383924
Energy: 0.455442040762919
Energy: 0.881585738698899
Energy: 0.45587158186482474
Energy: 0.4679252854309816
Energy: 0.4282007035947049
Energy: 0.45617076194395895
Energy: 0.4931153445453023
Energy: 0.8363049528515782
Energy: 0.4309693083135428
Energy: 0.44329085379007266
Energy: 0.3948021581801668
Energy: 0.4442087193763727
Energy: 0.41310462066598097

minimum gb energy = 0.2913184067610408 eV
minimum distance =  2.38784590721827 Angstroms
sigma value = 57


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

Energy: 0.10367980842124241
Energy: 0.1677466541404647
Energy: 0.1818991013196543
Energy: 0.31991318685273834
Energy: 0.08344829738567952
Energy: 0.18757404704426528
Energy: 0.11923218115772395
Energy: 0.20326174880930634
Energy: 0.19395792306585088
Energy: 0.20774415178903305
Energy: 0.29490267499484185
Energy: 0.19260066749705065
Energy: 0.20342250226910943
Energy: 0.19733061010100478
Energy: 0.2016052643021905
Energy: 0.22101136716577846
Energy: 0.08899583176036187
Energy: 0.20292586819545938
Energy: 0.17616595111369676
Energy: 0.20942470179947592
Energy: 0.19184894830850643
Energy: 0.21844255898654624
Energy: 0.20150521033457275
Energy: 0.19132187102136944
Energy: 0.20924449777071563
Energy: 0.17199332787072374
Energy: 0.16669195409516277
Energy: 0.21292024274016202
Energy: 0.17177279748502908
Energy: 0.21156321093618116
Energy: 0.173044574153396
Energy: 0.16941106845354006
Energy: 0.17369236301335295
Energy: 0.20907133540786765
Energy: 0.16448686056678785
Energy: 0.17165193824260974
Energy: 0.17476036436762238
Energy: 0.20751875461815322
Energy: 0.19927220023864442
Energy: 0.10724987614528853
Energy: 0.21747335811537485
Energy: 0.19636429096056912
Energy: 0.17066032205155549
Energy: 0.21561295212880455
Energy: 0.19595765525441827
Energy: 0.2292206529810478
Energy: 0.2165311145937527
Energy: 0.22270755320927993
Energy: 0.21202747143428627
Energy: 0.20383426848988193
Energy: 0.1920493745734752
Energy: 0.09378496873755005
Energy: 0.20427953795270073
Energy: 0.1908169269889409
Energy: 0.3649636910839416
Energy: 0.20864341552491483
Energy: 0.17076315957875773
Energy: 0.35780698271503564
Energy: 0.19665890451940488
Energy: 0.17171199357819752
Energy: 0.32033460569336225
Energy: 0.20253825788628005
Energy: 0.21558585386001713
Energy: 0.2605125021085568
Energy: 0.2114557451874653
Energy: 0.16490746674674964
Energy: 0.19968400692990756
Energy: 0.20249083858091976
Energy: 0.19531801374155383
Energy: 0.20682050985431086
Energy: 0.2088389469293189
Energy: 0.1985617786356307
Energy: 0.1807295368484854
Energy: 0.21210172713906034
Energy: 0.21598563750082805
Energy: 0.19217643211877866
Energy: 0.21585289569727553
Energy: 0.22768556094335687
Energy: 0.20651581775682498
Energy: 0.2015625593133061
Energy: 0.19799668751935737
Energy: 0.2075702186575694
Energy: 0.20605904591611673
Energy: 0.19205883618539685
Energy: 0.21171780720605285
Energy: 0.17502289799594042
Energy: 0.19281941614774384
Energy: 0.11691838066486408
Energy: 0.17659671304168484
Energy: 0.1912892664637833
Energy: 0.17155756761837893
Energy: 0.2017016050045183
Energy: 0.1954394807688989
Energy: 0.10642801209013494
Energy: 0.16685090226085078
Energy: 0.1993057895254196
Energy: 0.15029937540999394
Energy: 0.2098887900032192
Energy: 0.21072932650581025
Energy: 0.07621642627531693
Energy: 0.21718087362295194
Energy: 0.20234296435185936
Energy: 0.20606011842101823
Energy: 0.2051972789648827
Energy: 0.20000387900208338
Energy: 0.09178427849165666
Energy: -0.027808587620496823
Energy: 0.19788653187055985
Energy: 0.31219706957404664
Energy: 0.21260473750878062
Energy: 0.20671092527895774
Energy: 0.24024553470401744
Energy: 0.21363518998157988
Energy: 0.20527060837754071

minimum gb energy = -0.027808587620496823 eV
minimum distance =  2.43875099478793 Angstroms
sigma value = 11


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

Energy: 1.6725201729642087
Energy: 1.411428094509322
Energy: 0.40763953063456937
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Energy: 0.47926887799295836
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Energy: 0.5584643569014854
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Energy: 0.28154298212043904
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Energy: 0.6766265795168614
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Energy: 0.3250417779301813
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Energy: 0.47776330603297784
Energy: 0.31318363084113604
Energy: 1.0092288975001729
Energy: 0.4838801793790468
Energy: 0.4414613656099448
Energy: 0.9553215922252405
Energy: 0.27201845793644314
Energy: 0.5302705929490572
Energy: 0.5077290605581061
Energy: 0.2990820303992677
Energy: 0.313260589823233
Energy: 0.26335648832235076
Energy: 0.3002520922187173
Energy: 0.29301445212669847
Energy: 0.46358423772617463
Energy: 0.29044989450713116
Energy: 0.2916078100692221
Energy: 0.3573208581391658
Energy: 0.26790948986708024
Energy: 0.35336489234389323
Energy: 0.513716982127057
Energy: 0.3205743731313293
Energy: 0.2786158419393441
Energy: 0.3437725972732291
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Energy: 0.2752417660887808
Energy: 0.9639614855273224
Energy: -0.0367274110725394
Energy: 0.2824323891847054
Energy: 0.5040181011278952
Energy: 0.177267589787062
Energy: 0.2877312043662559

minimum gb energy = -0.07691929927483947 eV
minimum distance =  2.3223497178009 Angstroms
sigma value = 41


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

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Energy: 1.2229804020823278
Energy: 0.4239354376940048
Energy: 0.6661687809497124
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Energy: 0.8996174993734177
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Energy: 0.08847124650616361
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Energy: 0.06740114460610648
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Energy: 0.31135673645768513
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Energy: 0.7476060004797941
Energy: 0.31484384799068915
Energy: 0.9169363980503912
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Energy: 0.7766277432696589
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Energy: 0.7293131980905204
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Energy: 0.07331501291625614
Energy: 0.1293665966978898
Energy: 0.8180926799514342
Energy: 0.019087329006094084
Energy: 0.15029696022111527
Energy: 1.0934027783986018
Energy: 0.8385634267167331
Energy: 0.8355027747456292
Energy: 1.0089064072703875
Energy: 0.4905128644205159
Energy: 0.7362730585159201
Energy: 0.5290952139151585
Energy: 0.31746704626492067
Energy: 0.3126154363504476
Energy: 0.2826488409600211
Energy: 0.30678769016668095
Energy: 0.31350192649974407
Energy: 0.5975511565235
Energy: 0.4531730964252889
Energy: 0.4686066855730242
Energy: 0.4602775872941745
Energy: -0.12139505093967383
Energy: 0.4502682648502806
Energy: 0.6787160380671768
Energy: 0.053234876015893114
Energy: 0.010686037814160516
Energy: 0.4386252665741935
Energy: 0.07010597358863291
Energy: 0.0690656426783381
Energy: 1.4050878106190994
Energy: 0.39472232332859875
Energy: 0.5618726085018054
Energy: -0.0198742436068257
Energy: 0.37299429258364053
Energy: 0.5491179957597978

minimum gb energy = -0.13967144079927485 eV
minimum distance =  2.33581194005276 Angstroms
sigma value = 33


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

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Energy: 1.148461285833174
Energy: 1.1383085852692272
Energy: 0.0942750286895131
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Energy: 0.6861582624400471
Energy: 0.6817684813547082
Energy: 0.7985347628223561
Energy: 0.5985049563475202
Energy: 0.7485956365208759
Energy: 0.23790794381759647
Energy: 0.2401748946370184
Energy: 0.24523808433742145
Energy: 0.5929319899885866
Energy: 0.21514751719891917
Energy: 0.20478250401466702
Energy: 1.3346594033480201
Energy: 0.5896815500452737
Energy: 1.1327859602677008
Energy: 0.9841141384491587
Energy: 0.5741177149118382
Energy: 1.0740096066351534

minimum gb energy = 0.024306279866817417 eV
minimum distance =  2.29242148514774 Angstroms
sigma value = 67


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

Energy: 0.9914993991275197
Energy: 0.4659322720276901
Energy: 0.4625888108441473
Energy: 0.4128707107383705
Energy: 0.41712865611530126
Energy: 0.4732119202511843
Energy: 0.3729333308743454
Energy: 0.30188534297664205
Energy: 0.3071644676380198
Energy: 0.295519223447606
Energy: 0.3024425026548129
Energy: 0.30685138247890903
Energy: 0.4020581124973795
Energy: 0.24924221588414508
Energy: 0.19075391304639247
Energy: 0.27678042075864867
Energy: 0.23862742166153708
Energy: 0.2529157917464714
Energy: 0.2473589647965199
Energy: 0.18408569500508992
Energy: 0.17340911083084504
Energy: 0.1624109627114907
Energy: 0.24135200341029692
Energy: 0.25315945125055106
Energy: 0.42832105612028054
Energy: 0.316386336215551
Energy: 0.29582394247089405
Energy: 0.41304755159609363
Energy: 0.33560227129956394
Energy: 0.2882200064287863
Energy: 0.41361359755559796
Energy: 0.1712255391115866
Energy: 0.3203449198085369
Energy: 0.40210617414987415
Energy: 0.32349094563473396
Energy: 0.3081403619272238
Energy: 0.6273525175886436
Energy: 0.3075358948291066
Energy: 0.3063088032954624
Energy: 0.18547472218624886
Energy: 0.3128751266872014
Energy: 0.3001981458075435

minimum gb energy = 0.1624109627114907 eV
minimum distance =  2.42934764667581 Angstroms
sigma value = 3


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

Energy: 0.6557656732500401
Energy: 0.7237045146455268
Energy: 0.53460716383876
Energy: -0.004741086483369756
Energy: 1.2470631094711035
Energy: 0.6307108492877201
Energy: 0.522592456365568
Energy: 0.34094957603004367
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Energy: 0.31623140397098143
Energy: 0.37613759710119976
Energy: 0.3751489665604445
Energy: 0.3128028425286919
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Energy: 0.32618583026533343
Energy: 0.5879784598106405
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Energy: 0.29913460888344867
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Energy: 0.3236509554239442
Energy: 0.2835982438340077
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Energy: 0.30835627407595684
Energy: 0.44634517861714346
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Energy: 0.3488982958891031
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Energy: 0.5085911494464059
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Energy: 0.39348394256691244
Energy: 0.37920837546400543
Energy: 0.2570334502617411
Energy: 0.4515897097635126
Energy: 0.5821557439946313
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Energy: 0.2822905161452492
Energy: 0.46674889376959083
Energy: 0.25857257906565984
Energy: 0.37277549241628954
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Energy: 0.5739704904222455
Energy: 0.7047563579545405
Energy: 0.08593979971020649
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Energy: 0.6847402316167445
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Energy: 0.5162595521695179
Energy: 0.7668102786678749
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Energy: 0.4932869745532121
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Energy: 0.3889368275382353
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Energy: 0.5310421076836949
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Energy: 0.5729305829556037
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Energy: 0.715724549854522
Energy: 0.5671319717970916
Energy: 0.5456390733116937
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Energy: 0.40982422082760894
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Energy: 0.3895294998575249
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Energy: 0.5347440296128139
Energy: 0.5200218376900276
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Energy: 0.6882587607967557
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Energy: 0.6404126301326557
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Energy: 0.5389374811811163
Energy: 0.5403276795091744
Energy: 0.4503343182218175
Energy: 0.4657596672452843
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Energy: 0.5777777416103196
Energy: 0.5265066326903362
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Energy: 0.5749471049039869
Energy: 0.48372282962955276
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Energy: 0.35215458609916944
Energy: 0.1417816219509787
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Energy: 0.1140284638138763
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Energy: 0.40499165661558983
Energy: 0.9914687583205699
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Energy: 0.3143134764213905
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Energy: 0.39429612697400046
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Energy: 0.561209413911218
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Energy: 0.5787367988887411
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Energy: 0.49794522665042884
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Energy: 0.3710158885331763
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Energy: 0.35973033650052333
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Energy: 0.5549900358450902
Energy: 0.5003017608310565
Energy: 0.6703957440503578
Energy: 0.42838577330126865
Energy: 0.4323739651799203
Energy: 0.46887266190888316
Energy: 0.3516039208835138
Energy: 0.5342594070268235
Energy: 0.8229055346716582
Energy: 0.45498126058813626
Energy: 0.5994488541549862
Energy: 0.6401919223147202
Energy: 0.15247626173696077
Energy: 0.4255411882370662
Energy: 0.7313741191403442
Energy: 0.52240734187509
Energy: 0.5135490914373378
Energy: 0.524059483396682
Energy: 0.5576656963195872
Energy: 0.5144285287194634
Energy: 0.2096989525863748
Energy: 0.4369789291146725
Energy: 0.20099237740295284
Energy: 0.15262840359487165
Energy: 0.5176848788615541
Energy: 0.22403087146365913
Energy: 0.5473132905407018
Energy: 0.390610837633538
Energy: 0.23861402744443602
Energy: 0.4795120573107868
Energy: 0.316761517885891
Energy: 0.3122778835680795
Energy: 0.5482785684049376
Energy: 0.3589391515867296
Energy: 0.37424752804259004
Energy: 0.36571185370081943
Energy: 0.3375761653878299
Energy: 0.378784086795415
Energy: 0.5410615110669729
Energy: 0.19582226928305357
Energy: 0.3994587597395126
Energy: 0.565876165265583
Energy: 0.341992935610347
Energy: 0.3395195641157102
Energy: 0.6206146304943378
Energy: 0.4171092541152302
Energy: 0.5156464833332768
Energy: 0.5173357226547852
Energy: 0.2188301722430072
Energy: 0.5556391027534711
Energy: 0.6592503579018847
Energy: 0.4010504441240704
Energy: 0.39901365870905503
Energy: 0.44589116411963425
Energy: 0.18827302468168028
Energy: 0.34520603508701836
Energy: 0.5402260851025602
Energy: 0.34167013097753346
Energy: 0.3405349726893668
Energy: 0.3869288944266796
Energy: 0.42192554353815437
Energy: 0.33210635158943197

minimum gb energy = -0.004741086483369756 eV
minimum distance =  2.37699758446563 Angstroms
sigma value = 81


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

Energy: 1.5874750051382047
Energy: 0.17910953982468142
Energy: 0.2497143027255252
Energy: 0.23983397911468843
Energy: 1.2015978833260412
Energy: 0.1780945313315195
Energy: 0.6076430424401609
Energy: 0.38552730244326894
Energy: 0.3786241799659377
Energy: 0.39267205257280186
Energy: 0.41158479288587146
Energy: 0.3880234210725089
Energy: 0.2921369741545547
Energy: 0.21825036570736162
Energy: 0.12532543411793792
Energy: 0.09234285968798403
Energy: 0.18078803552044329
Energy: 0.2690242226462551
Energy: 0.5726499782183602
Energy: 0.17391778354056883
Energy: 0.3623122111315722
Energy: 0.4513373843023856
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Energy: 0.24412387631404878
Energy: 0.56261554538836
Energy: 0.30445355708963007
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Energy: 0.29574184274194043
Energy: 0.44859130402982567
Energy: 0.28987239267775927
Energy: 0.2848631511646896
Energy: -0.016386058613319883
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Energy: 0.2997648038872361
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Energy: 0.4503567154788621
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Energy: 0.30689057819063803
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Energy: 0.3862299520383355
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Energy: 0.46808500419074006
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Energy: 0.4240854704974213
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Energy: 0.2989625116587898
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Energy: 0.4770304305814675
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Energy: 0.3313539562849254
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Energy: 0.31711227683575155
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Energy: 0.31201983466921374
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Energy: 0.32415579796250105
Energy: 0.5185387491143731
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Energy: 0.12102642855530842
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Energy: 0.3481310212104421
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Energy: 0.3143363836506722
Energy: 0.3641191512289779
Energy: 0.19036653590172387
Energy: 0.020637485147816857
Energy: -0.01196401992947254
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Energy: -0.03791585098835007
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Energy: 0.2321284855499362
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Energy: 0.5299189653152528
Energy: 0.25342965654148353
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Energy: 0.1741242454867013
Energy: 0.24105620691205298
Energy: 0.11278038703315307
Energy: 0.5986468332975113
Energy: 0.3568712623593626
Energy: 0.39340529840396354
Energy: 0.35564399162111127
Energy: 0.3098254615788898
Energy: 0.36090382501067125
Energy: 0.4644529293132943
Energy: 0.28882944174193625
Energy: 0.2987973592849349
Energy: 0.08255228619314899
Energy: 0.19713234413261493
Energy: 0.31776380708052837
Energy: 0.6055396204892619
Energy: 0.2890414703935609
Energy: 0.24456243413637554
Energy: 0.32727294083095904
Energy: 0.28715884685874876
Energy: 0.31765484830579105
Energy: 0.6119845916012004
Energy: 0.4811279614523891
Energy: 0.4701077170968489
Energy: 0.4842115235902825
Energy: 0.22582146935875436
Energy: 0.4645886514908861
Energy: 0.6324593396103104
Energy: 0.21183156220964847
Energy: 0.2600177645585222
Energy: 0.3075847333887213
Energy: 0.24197547253532195
Energy: 0.33192986031340016
Energy: 0.4771261120927378
Energy: 0.4853671295860248
Energy: 0.48619372790882215
Energy: 0.6187163353508163
Energy: 0.5246157591781749
Energy: 0.46239305701743855
Energy: 0.5705250009100162
Energy: 0.6748491171965848
Energy: 0.5703133253524822
Energy: 0.05644138927551657
Energy: 0.3002666921224978
Energy: 0.5672097055375072

minimum gb energy = -0.08524544092185453 eV
minimum distance =  2.35370830119206 Angstroms
sigma value = 43


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

Energy: 0.43081360752941394
Energy: 0.6282647564276459
Energy: 0.69642862330598
Energy: 0.2122684128501218
Energy: 0.7588759487962892
Energy: 0.2230744202928578
Energy: 0.48251696925694976
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Energy: 0.29327993354916315
Energy: 0.5315729593829774
Energy: 0.4150175434388911
Energy: 0.49191955270327886
Energy: 0.11445341042643147
Energy: 0.32955774471056226
Energy: 0.30741570888713704
Energy: 0.004785536347545552
Energy: 0.2662278337889212
Energy: 0.36555977392608063
Energy: 0.7112010037720777
Energy: 0.2906744502591749
Energy: 0.492799543340655
Energy: 0.7219671664030336
Energy: 0.5096495668859907
Energy: 0.5162002851442121
Energy: 0.4123202041006853
Energy: 0.09577734796431277
Energy: 0.1584941380687237
Energy: 0.14389988714430904
Energy: 0.13295587838779585
Energy: 0.09366774178927688
Energy: 0.3300524092716813
Energy: 0.09713539544259418
Energy: 0.10513442620917893
Energy: 0.13041554113861004
Energy: 0.07820106420024103
Energy: 0.09966877901039056
Energy: 0.54507455486742
Energy: 0.32069200677989446
Energy: 0.15115494671358395
Energy: 0.15764803579091125
Energy: 0.3171954318910925
Energy: 0.17821365353480018
Energy: 0.5315961666522926
Energy: 0.02605659390997997
Energy: 0.1952194583859318
Energy: 0.25697690257820593
Energy: 0.043229291647862385
Energy: 0.2658837286901961
Energy: 0.8066524937084966
Energy: 0.36542784884872603
Energy: 0.3602539862736848
Energy: 0.6251554369547131
Energy: 0.40910003575415077
Energy: 0.4823074741176627
Energy: 0.8031704397407415
Energy: 0.49507778250277085
Energy: 0.4871509872290082
Energy: 0.630478338624756
Energy: 0.46529140898786997
Energy: 0.5027029348168034
Energy: 0.7302764524220818
Energy: 0.42807929814106954
Energy: 0.36143583899176535
Energy: 0.4871977086639366
Energy: 0.4633138652733708
Energy: 0.19454465286675324
Energy: 0.5310068299989588
Energy: 0.44435480038179326
Energy: 0.4195606418072077
Energy: 0.18898757071432573
Energy: 0.48423670691505083
Energy: 0.36123470232261196
Energy: 0.4795045908655407
Energy: 0.04806257650792838
Energy: 0.45534443397943697
Energy: 0.35260430065491066
Energy: 0.021792072446268018
Energy: 0.44452488305487714
Energy: 0.42818649592366537
Energy: 0.19373596854081637
Energy: 0.1794483411403068
Energy: 0.22367031506489257
Energy: 0.20202226509437618
Energy: 0.19252775128720329
Energy: 0.40705077966145503
Energy: 0.25798231526013204
Energy: 0.1642173705261982
Energy: 0.2240401997397444
Energy: 0.08298059145390509
Energy: 0.17116282554611562
Energy: 0.5390268221082468
Energy: 0.3676918517139743
Energy: 0.3972728537639074
Energy: 0.5062964951638519
Energy: 0.3434289437419754
Energy: 0.3755256816220176
Energy: 0.5178786328754481
Energy: 0.3077124137131188
Energy: 0.2868351906382957
Energy: 0.11195417898467679
Energy: 0.1658171823868955
Energy: 0.286586241446043
Energy: 0.40657517897498324
Energy: 0.2689816214395403
Energy: 0.28388409834271444
Energy: 0.37013277588212673
Energy: 0.27298721022862255
Energy: 0.3094603009054943
Energy: 0.5607743119184807
Energy: 0.3368060912645322
Energy: 0.2779459218722835
Energy: 0.3157497239354327
Energy: 0.5806467274946976
Energy: 0.3837972497689185
Energy: 0.5770611047943716
Energy: 0.5680903297626101
Energy: 0.2823010022507476
Energy: 0.3881249615275952
Energy: 0.5777826257447285
Energy: 0.5040086801455022
Energy: 0.40422749735022195
Energy: 0.4661906956684225
Energy: 0.4396731142079872
Energy: 0.573160434361186
Energy: 0.2527900025384526
Energy: 0.2840370812176987
Energy: 0.6633317218026097
Energy: 0.3402930326354103
Energy: 0.4840447018904828
Energy: 0.6150750402197613
Energy: 0.277099268594292
Energy: 0.2770296511892613
Energy: 0.7148535722791655
Energy: 0.3187868041611354
Energy: 0.32658938235804197
Energy: 0.41204817634358226
Energy: 0.33144223848091675
Energy: 0.42957098465975085
Energy: 0.49021248800838063
Energy: 0.29438965467582867
Energy: 0.25599371579273167
Energy: 0.14767573701014275
Energy: 0.3320797144707094
Energy: 0.27485732532163815
Energy: 0.6469908839375467
Energy: 0.32466355336399094
Energy: 0.4313673321639679
Energy: 0.22857116607021347
Energy: 0.42646031680867863
Energy: 0.4507043529811202
Energy: 0.4482717931859612
Energy: 0.2222340156999227
Energy: 0.19747263339403462
Energy: 0.16829894008833815
Energy: 0.226564423111227
Energy: 0.1709909935191824
Energy: 0.44999948634213344
Energy: 0.21229959181579303
Energy: 0.18159997208023662
Energy: 0.1848304249029619
Energy: 0.18773701234159265
Energy: 0.18335159654749028
Energy: 0.4639675323136446
Energy: 0.23224005547075235
Energy: 0.20753709408620785
Energy: 0.32470677925425706
Energy: 0.29907978060303225
Energy: 0.2246997413151569
Energy: 0.17649767641881628
Energy: 0.3761059686527018
Energy: 0.3022228113339941
Energy: -0.04656343513404694
Energy: 0.2112420323672947
Energy: 0.1477813828638607
Energy: 0.4160541886605086
Energy: 0.22678754470770238
Energy: 0.4392136125700945
Energy: 0.4391090961739812
Energy: 0.20355786459538305
Energy: 0.6244886859261732
Energy: 0.6058955406808048
Energy: 0.6590440442582216
Energy: -0.10512170337228628
Energy: 0.42021357313308555
Energy: 0.6528998567056667
Energy: 0.437387959633535

minimum gb energy = -0.10512170337228628 eV
minimum distance =  2.31797890822939 Angstroms
sigma value = 57


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

Energy: 0.6647370067820776
Energy: 0.5434528733518516
Energy: 0.49083176051642274
Energy: 0.2173038575943813
Energy: 0.47998780103688066
Energy: 0.47484175141744916
Energy: 0.48995454622005147
Energy: 0.2748168400468016
Energy: 0.28884971538050674
Energy: 0.4625619196020322
Energy: 0.46322317794727336
Energy: 0.2592196381258291
Energy: 0.7629289321467515
Energy: 0.13827024271515473
Energy: 0.15500038518761378
Energy: 0.47895124977138415
Energy: 0.12335352365945763
Energy: 0.15535580343975508
Energy: 0.5474378958951496
Energy: 0.11136696194280589
Energy: 0.203606872742389
Energy: 0.404362949548954
Energy: 0.1316084481919889
Energy: 0.31051446434631935
Energy: 0.48797547754889853
Energy: 0.21529822693765646
Energy: 0.22550044247872295
Energy: 0.40481157829217457
Energy: 0.19680343518971022
Energy: 0.21898421418826672
Energy: 0.4513460291210342
Energy: 0.18291058648800146
Energy: 0.20783968176445913
Energy: 0.22747852004558392
Energy: 0.21567803682507528
Energy: 0.1940764136043075
Energy: 0.5607674518086916
Energy: 0.27411629008844085
Energy: 0.28792850865248465
Energy: 0.2762424436281606
Energy: 0.43801056343823097
Energy: 0.3390230645435712
Energy: 0.3581858598453247
Energy: 0.12333333794214099
Energy: 0.1335193005533025
Energy: 0.16977849164538228
Energy: 0.11898918948527559
Energy: 0.4232046139709231
Energy: 0.5566232407061819
Energy: 0.33753133282991143
Energy: 0.33825772167542795
Energy: 0.28808647323537656
Energy: 0.3714058112786813
Energy: 0.31931261036152375
Energy: 0.4408436133273075
Energy: 0.24695900388219685
Energy: 0.24720068221387675
Energy: 0.3720955810890147
Energy: 0.29284871751536884
Energy: 0.32386904714048387
Energy: 0.5771172302928615
Energy: 0.17788548844927551
Energy: 0.3495203606662554
Energy: 0.38269363542596874
Energy: 0.1409380378380587
Energy: 0.3337677095728924
Energy: 0.47279143032361987
Energy: 0.43242585054068144
Energy: 0.39248217814250336
Energy: 0.2587025843060042
Energy: 0.43033413134490217
Energy: 0.3843689433630453
Energy: 0.6148326913545535
Energy: 0.4010854629517287
Energy: 0.46926226906385465
Energy: 0.5215398062070336
Energy: 0.24083480185207654
Energy: 0.4695463482029099
Energy: 0.573194728592948
Energy: 0.271191763184192
Energy: 0.29683881588874533
Energy: 0.4537630319465802
Energy: 0.46453314561201137
Energy: 0.28216481720495423
Energy: 0.3777011316009168
Energy: 0.23240349718791603
Energy: 0.2538530079192449
Energy: 0.22485888553752154
Energy: 0.13755068023795342
Energy: 0.3040984597324324
Energy: 0.694638146217533
Energy: 0.313156048954673
Energy: 0.2739600948024099
Energy: 0.6809335868269185
Energy: 0.28563526914405335
Energy: 0.2979407589907465
Energy: 0.5229600120080676
Energy: 0.17006000025853785
Energy: 0.1822642126613232
Energy: 0.1755922211041785
Energy: 0.18088659878885963
Energy: 0.20905433059573614
Energy: 0.4362122719216168
Energy: 0.17946108688893256
Energy: 0.2252444034170478
Energy: 0.22128108999646667
Energy: 0.17127902413202992
Energy: 0.2074603339476663
Energy: 0.5406638685846276
Energy: 0.40194258938183275
Energy: 0.41342412129374345
Energy: 0.2666179733683715
Energy: 0.4396307139854003
Energy: 0.36169934861666037
Energy: 0.5488714510334249
Energy: 0.4167178831131318
Energy: 0.3783992290330936
Energy: 0.31374258617504464
Energy: 0.43768348858270295
Energy: 0.3604174923750259
Energy: 0.5603154152543871
Energy: 0.3432698663927715
Energy: 0.33871577562136995
Energy: 0.4599194445809582
Energy: 0.27871037984799024
Energy: 0.30134866762701756
Energy: 0.4456405056959747
Energy: 0.3130740281568706
Energy: 0.33432646143738504
Energy: 0.3113427335908177
Energy: 0.32547261690272167
Energy: 0.34598142587851477
Energy: 0.878955619914243
Energy: 0.33938318320048044
Energy: 0.2931108997230139
Energy: 0.45872817839757946
Energy: 0.39950526630205224
Energy: 0.29054497958364883
Energy: 0.6245056657274771
Energy: 0.43127188577824405
Energy: 0.4770176571481717
Energy: 0.5194747068345434
Energy: 0.508541745786501
Energy: 0.4577656568212717

minimum gb energy = 0.11136696194280589 eV
minimum distance =  2.37489490063215 Angstroms
sigma value = 17


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

Energy: 1.487836839924577
Energy: 0.4514450478559698
Energy: 0.2505129058877458
Energy: 0.21355507688231118
Energy: 0.7052841166201241
Energy: 0.2983300034717827
Energy: 0.4507942180988342
Energy: 0.2563759488795704
Energy: 0.24830716332957464
Energy: 0.44620062322309195
Energy: 0.39674927614632055
Energy: 0.2781315873320239
Energy: 0.6539116521089506
Energy: 0.1793918974932582
Energy: 0.20065013793867914
Energy: 0.46649575159755385
Energy: 0.14812496491021876
Energy: 0.20730256853918716
Energy: 0.4627810951248341
Energy: 0.15329453508371424
Energy: 0.1747502966826032
Energy: 0.3972678773662548
Energy: 0.2214888265683878
Energy: 0.27117332289770785
Energy: 0.669596247184497
Energy: 0.2268242051414162
Energy: 0.2568965317291437
Energy: 0.3666733922913815
Energy: 0.2431896109553986
Energy: 0.2485954824705147
Energy: 0.5287090578918002
Energy: 0.28535190690493717
Energy: 0.28454135368104877
Energy: 0.17018003109683624
Energy: 0.2768214114870594
Energy: 0.18719547796830144
Energy: 0.46256066811419777
Energy: 0.20330793262299998
Energy: 0.38601257849259846
Energy: 0.22204347890242096
Energy: 0.3603284255129842
Energy: 0.22552794354086902
Energy: 0.5794180801966937
Energy: 0.20178525561238753
Energy: 0.3141738418469398
Energy: 0.19821440904536908
Energy: 0.19045001506695494
Energy: 0.20287967267852638
Energy: 0.6581633391473639
Energy: 0.2046452585476766
Energy: 0.22289049833015578
Energy: 0.403394302978494
Energy: 0.1974776154226821
Energy: 0.23872897923049435
Energy: 0.4785902277715034
Energy: 0.18701857861059853
Energy: 0.1973266304814473
Energy: 0.37174764818745176
Energy: 0.16000694249010575
Energy: 0.18754285331500398
Energy: 0.47257580698816504
Energy: 0.24593406506592175
Energy: 0.2435142223574551
Energy: 0.24676322069087872
Energy: 0.20034020226345062
Energy: 0.2633423257199047
Energy: 0.4044508735811079
Energy: 0.39761871990059805
Energy: 0.2606652313670182
Energy: 0.1243853479237186
Energy: 0.6349536352157207
Energy: 0.2345215285798551
Energy: 0.41047080209803766
Energy: 0.3280399854037761
Energy: 0.3585264885723504
Energy: 0.14133257734477375
Energy: 0.3240887546475664
Energy: 0.3849380139085582
Energy: 0.5353529571456693
Energy: 0.37213004443229875
Energy: 0.22878578806691244
Energy: 0.43300645136661803
Energy: 0.4319253597066833
Energy: 0.30217738406986483
Energy: 0.6726341450926815
Energy: 0.30351310178903645
Energy: 0.293089137854005
Energy: 0.49002486136608686
Energy: 0.27598055485928363
Energy: 0.27182869299131196
Energy: 0.5362120817837279
Energy: 0.24008687882295066
Energy: 0.2944205775241792
Energy: 0.41417596111084914
Energy: 0.33265379279795404
Energy: 0.24697627643846948
Energy: 0.5751103724788285
Energy: 0.33033498773899134
Energy: 0.4049579470372419
Energy: 0.11475579272820415
Energy: 0.3687799754486272
Energy: 0.30016103331184557

minimum gb energy = 0.11475579272820415 eV
minimum distance =  2.35862399843969 Angstroms
sigma value = 17


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

Energy: 0.35639989256864635
Energy: 0.3633319466006371
Energy: 0.1441981392658426
Energy: 0.1741972363420926
Energy: 0.4277739455740894
Energy: 0.15010244551867893
Energy: 0.4863880947036639
Energy: 0.20206408880360732
Energy: 0.23232578513777544
Energy: 0.424982171135372
Energy: 0.37509663428123624
Energy: 0.21337696537337994
Energy: 0.49867233502290803
Energy: 0.18041244816287455
Energy: 0.19037488349244788
Energy: 0.40900115565087153
Energy: 0.1694249374977294
Energy: 0.20622487211967913
Energy: 0.4393450690254247
Energy: 0.33096402448770396
Energy: 0.42543696871958564
Energy: 0.45454673058130945
Energy: 0.22848785313846995
Energy: 0.2967903546780394
Energy: 0.5236566554896162
Energy: 0.2472488385926339
Energy: 0.24420265284742648
Energy: 0.37865802927158887
Energy: 0.27572142223991614
Energy: 0.23188613398516417
Energy: 0.6507486624886211
Energy: 0.21347136781942957
Energy: 0.19906761621027175
Energy: 0.1639589753571875
Energy: 0.3493487269040686
Energy: 0.20213301693142288
Energy: 0.4933203057166025
Energy: 0.4882725854565572
Energy: 0.3958709643007267
Energy: 0.25834477264414996
Energy: 0.5162057553202267
Energy: 0.27477337629596577
Energy: 0.49073072429944553
Energy: 0.18343963140885883
Energy: 0.2771995502938703
Energy: 0.28880300102396256
Energy: 0.1968272971799734
Energy: 0.2786151435672387
Energy: 0.5833768707728898
Energy: 0.26597920088878785
Energy: 0.32375309005166497
Energy: 0.5306496858969216
Energy: 0.2210802691455227
Energy: 0.3282550766239999
Energy: 0.5511828445959187
Energy: 0.21547938681229836
Energy: 0.23482221850600532
Energy: 0.2545552909191328
Energy: 0.2254109987860474
Energy: 0.20541822066534668
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Energy: 0.23899027476657994
Energy: 0.1968940276919833
Energy: 0.19928557704255864
Energy: 0.2111039777076217
Energy: 0.21965884814858525
Energy: 0.7182631673895793
Energy: 0.34436462254795214
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Energy: 0.2583260923205783
Energy: 0.3041088678579434
Energy: 0.23086869106203317
Energy: 0.5644904615858426
Energy: 0.33488574720398634
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Energy: 0.25958067595544065
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Energy: 0.5407537779927389
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Energy: 0.19507947131508283
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Energy: 0.24951361619226864
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Energy: 0.5187949540832655
Energy: 0.1654640988164252
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Energy: 0.2568545742210933
Energy: 0.4909988457835728
Energy: 0.2245888543497098
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Energy: 0.2450758137339652
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Energy: 0.41017451264390165
Energy: 0.1835569676767665
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Energy: 0.47915112264243315
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Energy: 0.3077116848295633
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Energy: 0.3509766336638338
Energy: 0.33047597392646927
Energy: 0.5137011526888564
Energy: 0.23484912066015445
Energy: 0.22292802272437814
Energy: 0.358748637469686
Energy: 0.19434487804591047
Energy: 0.21674083878577752
Energy: 0.8018082717350256
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Energy: 0.2309758531257418
Energy: 0.454749663510446
Energy: 0.08131454149538896
Energy: 0.32425722359616066
Energy: 0.5252563516545041
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Energy: 0.3587578131357036
Energy: 0.31225456871510177
Energy: 0.2279428849729212
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Energy: 0.3184608995523929
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Energy: 0.5188750817839562
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Energy: 0.4461602726394079
Energy: 0.14334673808265935
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Energy: 0.1450630036388752
Energy: 0.6304681527447472
Energy: 0.2544099094252783
Energy: 0.26695572919043975
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Energy: 0.2256069182479259
Energy: 0.6652824004774478
Energy: 0.305850429299039
Energy: 0.32189243510245025
Energy: 0.13908532548178332
Energy: 0.22468835811961096
Energy: 0.2525730771828995
Energy: 0.5105593598497258
Energy: 0.4556771122864823
Energy: 0.21834422539800716
Energy: 0.20319288099882998
Energy: 0.4919141608842971
Energy: 0.34898487234172526
Energy: 0.7456599652290411
Energy: 0.23564854922389294
Energy: 0.18272860019447013
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Energy: 0.2105301600821569
Energy: 0.20910032526015618
Energy: 0.5154320843405281
Energy: 0.17646359378973592
Energy: 0.24725985757352562
Energy: 0.3786123101362086
Energy: 0.17257582801563254
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Energy: 0.24644377410765092
Energy: 0.24053966130597962
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Energy: 0.23388042678898122
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Energy: 0.21647255713142488
Energy: 0.23273006999082568
Energy: 0.2013984566817931
Energy: 0.1932171517085491
Energy: 0.23872124007614812
Energy: 0.5813851498176856
Energy: 0.5375582393038844
Energy: 0.5423943860597288
Energy: 0.199970752855062
Energy: 0.538744767350601
Energy: 0.232901148799515
Energy: 0.5184670497446967
Energy: 0.24391056815792994
Energy: 0.23869889837716834
Energy: 0.2463979820782085
Energy: 0.2131298331611212
Energy: 0.24688885893505944
Energy: 0.5598308925091535
Energy: 0.2492478019937961
Energy: 0.20394725046560538
Energy: 0.5541721780216226
Energy: 0.2949169805179962
Energy: 0.2302269489196802
Energy: 0.529811949233667
Energy: 0.16223989633913305
Energy: 0.29448933817998607
Energy: 0.3323592813098963
Energy: 0.17842661985466698
Energy: 0.33784980800219805
Energy: 0.7692963878275955
Energy: 0.2061161579929307
Energy: 0.1929368806152726
Energy: 0.23377252854846078
Energy: 0.20549318891504023
Energy: 0.19980402564888855
Energy: 0.4411045663012447
Energy: 0.20928389905195982
Energy: 0.2004949845427344
Energy: 0.23317496325391213
Energy: 0.475418157006766
Energy: 0.20799810662858992
Energy: 0.5163807337394479
Energy: 0.2865159981593258
Energy: 0.24726457447979658
Energy: 0.15972784631091916
Energy: 0.31150448777065337
Energy: 0.245601110760838
Energy: 0.4943844472693501
Energy: 0.3138584029598941
Energy: 0.22734019984595813
Energy: 0.21173001880079592
Energy: 0.2937179841854968
Energy: 0.22954440917844293
Energy: 0.45721966588053753
Energy: 0.153740314691995
Energy: 0.22346397298654555
Energy: 0.42396952705924335
Energy: 0.11251288140007214
Energy: 0.21358650217406605
Energy: 0.5301641171679048
Energy: 0.19193898390250141
Energy: 0.19905352265973184
Energy: 0.3866192141533832
Energy: 0.2759301525353539
Energy: 0.2295639001795279
Energy: 0.33586259061981905
Energy: 0.3230209721757543
Energy: 0.2667589348821982
Energy: 0.17396783078134798
Energy: 0.37797235143021723
Energy: 0.2750886173500216

minimum gb energy = 0.08131454149538896 eV
minimum distance =  2.35249480925048 Angstroms
sigma value = 57


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

Energy: 0.49976732003230395
Energy: 0.31439714386689416
Energy: 0.14637417633622268
Energy: 0.13183513575084596
Energy: 0.5352812788796283
Energy: 0.13436298756095344
Energy: 0.41591653883017893
Energy: 0.22921186605364338
Energy: 0.2946237800257204
Energy: 0.3766071904788954
Energy: 0.36716419220613533
Energy: 0.2646142675283108
Energy: 0.5598963638526059
Energy: 0.1581069871579586
Energy: 0.2784374517314733
Energy: 0.34167426267717843
Energy: 0.1849805079637738
Energy: 0.133603561739233
Energy: 0.40671675717318867
Energy: 0.3205969743018859
Energy: 0.13681045512578402
Energy: 0.37414303514032876
Energy: 0.2433321357799027
Energy: 0.15598487852393983
Energy: 0.5133109592155418
Energy: 0.22191730259345066
Energy: 0.22180057572895204
Energy: 0.3173787455812086
Energy: 0.2031756508607806
Energy: 0.20062333813648917
Energy: 0.5256879558320217
Energy: 0.16269931393573975
Energy: 0.15565002133320485
Energy: 0.1980912562590253
Energy: 0.3940414275575809
Energy: 0.17119020970748927
Energy: 0.43384261645012023
Energy: 0.49704913197943407
Energy: 0.17621147199598594
Energy: 0.22769152364643727
Energy: 0.45793518778599956
Energy: 0.21894317317703724
Energy: 0.44379827602739125
Energy: 0.2476991452367002
Energy: 0.1657730058372134
Energy: 0.2828764003985352
Energy: 0.20430756403517183
Energy: 0.2627196033375119
Energy: 0.4525870166638112
Energy: 0.2974200936908833
Energy: 0.3808413036626175
Energy: 0.44093218224743597
Energy: 0.16228846981710296
Energy: 0.4079025348603866
Energy: 0.4660923925550693
Energy: 0.21708247974015735
Energy: 0.2587603152837566
Energy: 0.3484665436526381
Energy: 0.1971016986486384
Energy: 0.21819682018649916
Energy: 0.45853421087323776
Energy: 0.22367340550949405
Energy: 0.23240916899869304
Energy: 0.14976061590055825
Energy: 0.3427156389152404
Energy: 0.18263810241277215
Energy: 0.6157140821960224
Energy: 0.4763609916937006
Energy: 0.2932872061353226
Energy: 0.1524090697391198
Energy: 0.44755471509533123
Energy: 0.22761595153227296
Energy: 0.46875622160167485
Energy: 0.260030558065913
Energy: 0.2507030584658728
Energy: 0.192316759665584
Energy: 0.2703872289504334
Energy: 0.261323919960262
Energy: 0.4987545589969931
Energy: 0.2137130962452534
Energy: 0.21438183013695486
Energy: 0.48272101398188694
Energy: 0.1699533974272441
Energy: 0.35994165580963255
Energy: 0.4602841773571484
Energy: 0.16387692706606463
Energy: 0.17421688880309882
Energy: 0.19641905769675436
Energy: 0.16937096134809082
Energy: 0.2022811286521498
Energy: 0.45058488188416146
Energy: 0.3309994377873798
Energy: 0.20174044743140804
Energy: 0.22856757044873896
Energy: 0.42109304754438304
Energy: 0.22012903506435794
Energy: 0.4351076724965374
Energy: 0.28926182096947817
Energy: 0.15796735113464414
Energy: 0.16035419650835936
Energy: 0.27102201877822346
Energy: 0.16080306630279753
Energy: 0.6137997068126292
Energy: 0.2889722422413377
Energy: 0.24323032055647104
Energy: 0.2253689915788174
Energy: 0.23417242061243787
Energy: 0.20033800989419442
Energy: 0.4819281890273302
Energy: 0.20177938706569018
Energy: 0.20400071265907363
Energy: 0.4500037638187671
Energy: 0.19700133076211496
Energy: 0.263303013502674
Energy: 0.4462474122051212
Energy: 0.20646735064299607
Energy: 0.21223244666382185
Energy: 0.1940733843830211
Energy: 0.15069988258518222
Energy: 0.2201856141054676
Energy: 0.43135518731861766
Energy: 0.31370962725205315
Energy: 0.15947947560823386
Energy: 0.19464090727483582
Energy: 0.3575205216459316
Energy: 0.19649970719736612
Energy: 0.6091655155508705
Energy: 0.22418704845992726
Energy: 0.12933374257245425
Energy: 0.17479228486856174
Energy: 0.3791512669444066
Energy: 0.1589650283397647
Energy: 0.6098994177852868
Energy: 0.19787445566557726
Energy: 0.2193239490364275
Energy: 0.25017491512099255
Energy: 0.2126625125371981
Energy: 0.2041721391614339
Energy: 0.45849429924442003
Energy: 0.27441360845112206
Energy: 0.22800626322636788
Energy: 0.36738228195049133
Energy: 0.16948392365989737
Energy: 0.24344214474372153
Energy: 0.5343287510162658
Energy: 0.07363552043230735
Energy: 0.1263210297312115
Energy: 0.3178794824898564
Energy: 0.18275073979394105
Energy: 0.3274559751744738
Energy: 0.4525437515585265
Energy: 0.23063241954029132
Energy: 0.24761384033700184
Energy: 0.37275025170999876
Energy: 0.2930223439585289
Energy: 0.1951695720586503
Energy: 0.30804287557082877
Energy: 0.28544576238856467
Energy: 0.12540538109318436
Energy: 0.11905736655117055
Energy: 0.25655794121628533
Energy: 0.1533437694427317

minimum gb energy = 0.07363552043230735 eV
minimum distance =  2.3661283681898 Angstroms
sigma value = 43


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

Energy: 0.19343864854205434
Energy: 0.13886294192345366
Energy: 0.04965180970468293
Energy: 0.015310690871174384
Energy: 1.0512087446356881
Energy: 0.023309908264049346
Energy: 0.43388047712100464
Energy: 0.004876720993929809
Energy: 0.0647631498802217
Energy: 0.02762898623246098
Energy: -0.0454130856349907
Energy: 0.056393576038198466
Energy: 0.3960517920876822
Energy: 0.07414124333362712
Energy: 0.09907106353692559
Energy: 0.08566182877912265
Energy: 0.043595371279131837
Energy: 0.050626665435173086
Energy: 0.31750246800148413
Energy: 0.14057190250186455
Energy: 0.13786648274667865
Energy: 0.1757061789629163
Energy: 0.08326751210988238
Energy: -0.03642130719522258
Energy: 0.2949634400965651
Energy: 0.06352782525272313
Energy: 0.08312770577141335
Energy: -0.013150687324285848
Energy: -0.026362240683079567
Energy: 0.17750441032049538
Energy: 0.25983363371018386
Energy: 0.015498918898347477
Energy: -0.03373246860754363
Energy: 0.0815769279758485
Energy: 0.024112147832003165
Energy: -0.028556336677073392
Energy: 0.2738145937732452
Energy: 0.20402586568129952
Energy: 0.07112012364585255
Energy: 0.0275039756672721
Energy: 0.30953457746747687
Energy: 0.05058808100233261
Energy: 0.49450290844840633
Energy: 0.11518152557616644
Energy: 0.040486605487670364
Energy: 0.05829923361209897
Energy: 0.03978684382014232
Energy: 0.020744031088911777
Energy: 0.38881414598613734
Energy: 0.20174509318395523
Energy: 0.2274419726366784
Energy: 0.30091085789778094
Energy: 0.07832749420813576
Energy: 0.24229604641054353
Energy: 0.432461241960363
Energy: 0.12478929395046097
Energy: 0.0961303705115766
Energy: 0.17740979081176536
Energy: 0.11506194337336233
Energy: 0.13503406453766004
Energy: 0.2974322268440462
Energy: 0.09200439305286343
Energy: 0.07620312931222212
Energy: 0.05632112910835507
Energy: 0.2893089957353117
Energy: 0.04179540437691309
Energy: 0.31016081771085546
Energy: 0.308165854626752
Energy: 0.29455065474295555
Energy: 0.16369956806874056
Energy: 0.3555003041103764
Energy: 0.15062769933408857
Energy: 0.5059140470445335
Energy: 0.1570213488172475
Energy: 0.14480788865437857
Energy: 0.07064551665891217
Energy: 0.07524767922696837
Energy: 0.16834214497633257
Energy: 0.36007101896533905
Energy: 0.18421043183216132
Energy: 0.19897422035905507
Energy: 0.3553004484564804
Energy: 0.11208885864357619
Energy: 0.2767035222670494
Energy: 0.3738036471961363
Energy: 0.17191022661871683
Energy: 0.10335926371221103
Energy: 0.2584809788376816
Energy: 0.176536255636827
Energy: 0.1266348184246745
Energy: 0.43139228613532515
Energy: 0.2239573766043465
Energy: 0.14998346804153195
Energy: 0.05272430268797587
Energy: 0.3509818838273821
Energy: 0.10857174174858267
Energy: 0.5075942151399259
Energy: 0.27469324879925
Energy: 0.1958932409550904
Energy: 0.11130990535151411
Energy: 0.33987267162779894
Energy: 0.12177922213020637
Energy: 0.3834910831017572
Energy: 0.1610873986204777
Energy: 0.17131962129595288
Energy: 0.179535640279322
Energy: 0.1522837382779042
Energy: 0.14133852042871042
Energy: 0.3911109660233826
Energy: 0.2071977212541806
Energy: 0.19699181976692767
Energy: 0.40335924604199963
Energy: 0.11935400912404054
Energy: 0.2223231078395245
Energy: 0.3521687574964108
Energy: 0.14835302614955895
Energy: 0.16681966327883202
Energy: 0.08438258272359556
Energy: 0.16119364681048948
Energy: 0.11725396426934015
Energy: 0.5147455646745243
Energy: 0.29032185978356906
Energy: 0.18199023762076982
Energy: 0.11022331859529182
Energy: 0.3493474630510773
Energy: 0.10590160314496225
Energy: 0.4299530501188697
Energy: 0.21366446420401758
Energy: 0.135261825206218
Energy: 0.05363489309406009
Energy: 0.3437116227263
Energy: 0.11714911254798607
Energy: 0.37087882569364217
Energy: 0.17318050563585619
Energy: 0.07853747271945781
Energy: 0.25165815993744595
Energy: 0.13787769813683692
Energy: 0.12391599689337315
Energy: 0.37997746259052145
Energy: 0.1648655247619312
Energy: 0.21488184181057504
Energy: 0.3566176821027722
Energy: 0.10284998597489595
Energy: 0.22295056654082104
Energy: 0.581879827103375
Energy: 0.1490135036237671
Energy: 0.11920040927170006
Energy: 0.10521317970804504
Energy: 0.04518040157526318
Energy: 0.13190224125892802
Energy: 0.5058438082707382
Energy: 0.16036307017087456
Energy: 0.3050201684204795
Energy: 0.10656750154301087
Energy: 0.3549100058265787
Energy: 0.13731974024246443
Energy: 0.2797847375804715
Energy: 0.16371338587300138
Energy: 0.06509326023753792
Energy: -0.00817249921896759
Energy: 0.3165275676783674
Energy: 0.0003991066951594942
Energy: 0.5544881904719607
Energy: 0.1763416610902306
Energy: 0.09072347845231475
Energy: 0.10162224373665218
Energy: 0.11215519572063912
Energy: 0.11222655499186873
Energy: 0.26403343319256434
Energy: 0.16894244909777922
Energy: 0.09177388444216081
Energy: 0.23840649307353057
Energy: 0.05351972716174371
Energy: 0.1015336411565427
Energy: 0.4971602675979715
Energy: 0.07702453768005868
Energy: 0.07892217709632736
Energy: 0.05370968893373526
Energy: 0.03531181731118492
Energy: 0.03298508503051752
Energy: 0.36761707086590034
Energy: 0.042742431749147866
Energy: -0.02328917787279714
Energy: 0.003364897517408059
Energy: 0.13880314762086
Energy: -0.01153201387619917
Energy: 0.23383227058889627
Energy: 0.008083474766961451
Energy: -0.0072974693279475485
Energy: -0.041868127425655925
Energy: 0.025272566833340775
Energy: -0.01591209278015474
Energy: 0.28739031190365416
Energy: 0.029425944819012586
Energy: 0.012557786066269245
Energy: 0.004796225455460506
Energy: -0.0008684423420618384
Energy: 0.08644125641606584
Energy: 0.45121721200760867
Energy: 0.05942116024946756
Energy: 0.131366344089537
Energy: 0.052281284344512215
Energy: 0.07772751226521422
Energy: 0.020334177923821493
Energy: 0.3994156942856451
Energy: 0.09710364101142283
Energy: 0.02500776511971158
Energy: 0.07585883279734024
Energy: 0.032033750031692086
Energy: 0.03405160932856755
Energy: 0.44484635658954025
Energy: 0.021431010866112432
Energy: 0.04544147128045843
Energy: 0.018840315308178757
Energy: -0.052779380103965504
Energy: 0.04954385285408507

minimum gb energy = -0.052779380103965504 eV
minimum distance =  2.34029414744816 Angstroms
sigma value = 81


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

Energy: -0.04154306344466258
Energy: -0.01678586946683932
Energy: 0.06972130033990104
Energy: -0.0526761307151677
Energy: -0.040176785557977934
Energy: -0.022652055855602867
Energy: -0.06921787378676998
Energy: -0.03731086426055906
Energy: -0.03284758232828293
Energy: -0.060181766797950266
Energy: -0.0400916802498623
Energy: -0.04007515369948828
Energy: -0.05386325561483244
Energy: -0.018305640671762907
Energy: -0.004882946715831376
Energy: -0.02349612099140694
Energy: -0.04411818128586186
Energy: 0.015779877677014355
Energy: -0.03375584087648411
Energy: 0.016771505011940274
Energy: 0.020163490620878383
Energy: -0.0342023722615784
Energy: -0.029092574033818194
Energy: -0.0261864006939035
Energy: 0.021628306504498502
Energy: -0.04314339075387592
Energy: -0.04222205697154417
Energy: 0.020786621404988506
Energy: -0.040178712098085045
Energy: -0.06565439088382904
Energy: -0.04116628367198378
Energy: -0.04040041830029054
Energy: 0.01032678690209308
Energy: -0.03510775295347288
Energy: -0.03909791543640377
Energy: -0.04166608269095227
Energy: -0.05223011859487256
Energy: -0.03278642870985304
Energy: -0.03708170018918481
Energy: -0.052122231311569844
Energy: -0.040010345267917545
Energy: -0.040086844880666564
Energy: -0.04830435343706695
Energy: -0.045756433556731424
Energy: 0.0022325268588600524
Energy: -0.05608899883909087
Energy: -0.05255559007826277
Energy: 0.017631115626838452
Energy: -0.03705417243522066
Energy: -0.019206483143110648
Energy: 0.03068498855949617
Energy: -0.04028327142483167
Energy: 0.011779197788736774
Energy: 0.016335416489980804
Energy: -0.009987031035689084
Energy: -0.03944265674733084
Energy: -0.0419272412527006
Energy: -0.07070594668501301
Energy: -0.05328688751648459
Energy: -0.058817388947573414

minimum gb energy = -0.07070594668501301 eV
minimum distance =  2.48795832827407 Angstroms
sigma value = 3


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

Energy: -0.022934455414749824
Energy: 0.06713401686579704
Energy: 0.023016571730538976
Energy: -0.04762855396677518
Energy: 0.04268716366676325
Energy: -0.03555069581235081
Energy: 0.20876308434381247
Energy: 0.04300072449771398
Energy: 0.04949148224594775
Energy: 0.04083083628794363
Energy: 0.03721222345633097
Energy: 0.05284277373608311
Energy: 0.20567818228671475
Energy: 0.010046104966927299
Energy: 0.002554892907453467
Energy: 0.1667354875989496
Energy: 0.1019030790412355
Energy: 0.04752904786079863
Energy: 0.14658550069062667
Energy: 0.039339012236204327
Energy: -0.017124474190595502
Energy: 0.11689409485288371
Energy: 0.05595816456051123
Energy: 0.04471047945904921
Energy: 0.16434217088887862
Energy: 0.0617731502894469
Energy: 0.05509650959912201
Energy: 0.1743286002796371
Energy: 0.04947303791216533
Energy: 0.05149545486708277
Energy: 0.09693560526271423
Energy: 0.08282069817254065
Energy: 0.05733924160952299
Energy: 0.06328232883039966
Energy: 0.0869752785319515
Energy: 0.0039421303040820576
Energy: 0.2206886213378901
Energy: 0.06146094644547437
Energy: 0.06372774195897736
Energy: 0.22649136060431585
Energy: 0.1278147060946682
Energy: 0.04638350051309571
Energy: 0.23736165785819593
Energy: 0.03444552592932053
Energy: 0.06358597800851296
Energy: 0.1702987924698468
Energy: 0.08793906281277933
Energy: 0.64832251940104
Energy: 0.11568161920764773
Energy: 0.1191298232899552
Energy: 0.04199680581774653
Energy: 0.08311798557831424
Energy: 0.14250224800441544
Energy: 0.09367594340814613
Energy: 0.16835014814780613
Energy: 0.09143759109095641
Energy: 0.09417527975508123
Energy: 0.18623250152280602
Energy: 0.09749456412233297
Energy: 0.09412720664401344
Energy: 0.1255321579959559
Energy: 0.11125153343984713
Energy: 0.11312531600832207
Energy: 0.08813419957759192
Energy: 0.10203749455727713
Energy: 0.06185788471414676
Energy: 0.2237944259230978
Energy: 0.10697001164310002
Energy: 0.10043545767817623
Energy: 0.09936476221110824
Energy: 0.10622535902019502
Energy: 0.0802458932118942
Energy: 0.18298505478015298
Energy: 0.04633400641660329
Energy: 0.12098935399757606
Energy: 0.16846278215150715
Energy: 0.03591984070159818
Energy: 0.1136852994566704
Energy: 0.15373019899354307
Energy: 0.12452956348161329
Energy: 0.13556506281578526
Energy: 0.10809513987648853
Energy: -0.17721098379821285
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Energy: 0.15139412511007364
Energy: 0.10087272916912496
Energy: 0.10175892965296826
Energy: 0.1551244974122574
Energy: 0.1026083979168123
Energy: 0.10405026558199994
Energy: 0.17304210116402394
Energy: 0.11783880468755482
Energy: 0.12301355655550661
Energy: 0.1582308259969647
Energy: 0.13689674302265004
Energy: 0.12683612712721398
Energy: 0.1251645714016372
Energy: 0.12235006608009497
Energy: 0.1059851419244179
Energy: 0.1124193011192417
Energy: 0.11551991052230887
Energy: 0.07964802977882886
Energy: 0.1670205678910003
Energy: 0.09406129784317172
Energy: 0.11813530641865293
Energy: 0.22505208528708806
Energy: 0.16295492491919736
Energy: 0.1555538901022947
Energy: 0.1653310615618652
Energy: 0.10653879469037306
Energy: 0.09899476122605916
Energy: 0.08758246963760091
Energy: 0.14435405055573036
Energy: 0.11150151201915601
Energy: 0.15537001598357472
Energy: 0.10357998791653794
Energy: 0.08955956882167085
Energy: 0.13134421591549728
Energy: 0.10160252379997488
Energy: 0.08840561357746304
Energy: 0.1599937919719509
Energy: 0.10757002491553798
Energy: 0.12414123091823048
Energy: 0.10586613434887489
Energy: 0.10222911586007129
Energy: 0.1253682532847187
Energy: 0.12348900519338647
Energy: 0.11863507765543158
Energy: 0.11101988535285406
Energy: 0.10226040948544296
Energy: 0.10928790672026516
Energy: 0.09983619519148168
Energy: 0.269118435108586
Energy: 0.11826642965440679
Energy: 0.12439697064636872
Energy: 0.2253193350909051
Energy: 0.13396927176026327
Energy: 0.1286074459219469
Energy: 0.14378586276079836
Energy: 0.0937902970168905
Energy: 0.08250274804138824
Energy: 0.19873811637729633
Energy: 0.21310120446334282
Energy: 0.09149587448328407
Energy: 0.14875614210171179
Energy: 0.10466640555418018
Energy: 0.09436740504967808
Energy: 0.09936348596302018
Energy: 0.13837776935743196
Energy: 0.08151053988233893
Energy: 0.15029907462510142
Energy: 0.04873075187442881
Energy: 0.09399939871150444
Energy: 0.11853680697008412
Energy: 0.14617182538458334
Energy: 0.10705504473648185
Energy: 0.15908842522946634
Energy: 0.06996822257233273
Energy: 0.07295416866686436
Energy: 0.17431142513705178
Energy: 0.13457910232270734
Energy: 0.1037806499080414
Energy: 0.18631546916893554
Energy: 0.08373891233756363
Energy: 0.13946798737071792
Energy: 0.23004301188526619
Energy: 0.14073610869436814
Energy: 0.07812193107709849
Energy: 0.10415043077395214
Energy: 0.15161740472709817
Energy: 0.06785119735929777
Energy: 0.1495152698956957
Energy: 0.14493366564593707
Energy: 0.08801785944747148
Energy: 0.21217938933041675
Energy: 0.0816220667273538
Energy: 0.05140041639041337
Energy: 0.21425086067266097
Energy: 0.06930039936837197
Energy: 0.04047852629999327
Energy: 0.10318379108548627
Energy: 0.04601079415157563
Energy: 0.032458155469626805
Energy: 0.10272532595402277
Energy: -0.03228008398109091
Energy: 0.03228865515602525
Energy: 0.18140344620685298
Energy: 0.09109699185440254
Energy: 0.0679056594514657
Energy: 0.09905962132029365
Energy: 0.13657983072407695
Energy: 0.05830844462100906
Energy: 0.1526996718628591
Energy: 0.07829148606768212
Energy: 0.09044867159793828
Energy: 0.07526346059892902
Energy: 0.08576057179076674
Energy: 0.03878250931801207

minimum gb energy = -0.17721098379821285 eV
minimum distance =  2.34954660910783 Angstroms
sigma value = 67


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

Energy: 0.2732923154326156
Energy: 0.06085625814964635
Energy: 0.06952069023114175
Energy: 0.03226992347963465
Energy: 0.4317650139478898
Energy: 0.0736870338767832
Energy: 0.37408149899728155
Energy: 0.2193196283645745
Energy: 0.08348816485189604
Energy: 0.22653253267522092
Energy: 0.24005635438161377
Energy: 0.09141157148687108
Energy: 0.25153765096429404
Energy: 0.028252246016906925
Energy: 0.05255150633294796
Energy: 0.23142550097130485
Energy: 0.2655068085407447
Energy: 0.060488803346842875
Energy: 0.23715323589393367
Energy: 0.05664841681699297
Energy: 0.05615348737181394
Energy: 0.40565137406040785
Energy: -0.0060786103941612366
Energy: 0.10844560082313309
Energy: 0.3909759637549805
Energy: 0.07306716511054676
Energy: 0.06882270939721649
Energy: 0.2318272665948723
Energy: 0.07582890087206362
Energy: 0.0785044047942379
Energy: 0.27836988665895984
Energy: 0.11093385239469718
Energy: 0.08761888237073276
Energy: 0.09740713119039598
Energy: 0.1111481406940972
Energy: 0.08966515337190233
Energy: 0.3968917994016693
Energy: 0.11974376520751137
Energy: 0.09338546686709204
Energy: 0.39087588564504444
Energy: 0.10599929682283328
Energy: 0.10683130965890703
Energy: 0.4022933286985563
Energy: 0.13537838688077863
Energy: 0.12677477600287798
Energy: 0.3846024820040406
Energy: 0.0978095805383721
Energy: 0.18097757647335996
Energy: 0.1691693511711803
Energy: 0.12568851715018964
Energy: 0.146232586801204
Energy: 0.14955535599576764
Energy: 0.44105708913538666
Energy: 0.16932545252253692
Energy: 0.18836424187725115
Energy: 0.18302112152947128
Energy: 0.18047444349618344
Energy: 0.18717444068458497
Energy: 0.17401686914383932
Energy: 0.1843271031497586
Energy: 0.359635101524084
Energy: 0.17933525401269926
Energy: 0.17684063278024872
Energy: 0.31978765260352726
Energy: 0.22692281541902895
Energy: 0.17046942437731527
Energy: 0.38931050183945376
Energy: 0.18190038602697273
Energy: 0.18787276220839114
Energy: 0.3875258807190285
Energy: 0.1842461754405602
Energy: 0.21764819249232423
Energy: 0.23848316291570357
Energy: 0.1947245023055773
Energy: 0.2155152275309271
Energy: 0.34836088407468746
Energy: 0.20681660985726683
Energy: 0.20617402290381442
Energy: 0.37349310701873983
Energy: 0.197265685416761
Energy: 0.18045850540596822
Energy: 0.21149335272563288
Energy: 0.23368233513499345
Energy: 0.20116201964973793
Energy: 0.2202752481725414
Energy: 0.1889000621768373
Energy: 0.1810742330003166
Energy: 0.217289894952068
Energy: 0.2433656427560497
Energy: 0.19243180292748527
Energy: 0.20021152129425188
Energy: 0.19444144407478825
Energy: 0.17698382683431033
Energy: 0.17287094414124443
Energy: 0.18134757411902713
Energy: 0.17804794275604738
Energy: 0.30891904755932875
Energy: 0.16775507034820947
Energy: 0.17984126528363475
Energy: 0.3182434737372827
Energy: 0.15735359581001232
Energy: 0.2018561497936536
Energy: 0.3920176871556716
Energy: 0.12461523049021109
Energy: 0.12931511089952913
Energy: 0.2815017704088219
Energy: 0.14569173863620816
Energy: 0.15139782671627003
Energy: 0.31246037329411946
Energy: 0.12663666143479552
Energy: 0.10897726497187081
Energy: 0.12045774154590236
Energy: 0.16682951651167935
Energy: 0.11697908408391731
Energy: 0.25747150413302194
Energy: 0.14193323160745622
Energy: 0.1431503559290458
Energy: 0.15678260353263648
Energy: 0.15949646237590948
Energy: 0.13023689119677237
Energy: 0.10437015471632766
Energy: 0.0975607605445764
Energy: 0.13424543752838444
Energy: 0.08208490679241293
Energy: 0.14841998491382016
Energy: 0.11684016449129107
Energy: 0.2530401663819235
Energy: 0.18780505617276358
Energy: 0.10957256967979705
Energy: 0.23137314943305856
Energy: 0.30893046885373415
Energy: 0.13445989199383399
Energy: 0.3796996781658389
Energy: 0.21361994441826263
Energy: 0.09398818028503346
Energy: 0.04505651324550259
Energy: 0.2387840603526023
Energy: 0.10680997396613653

minimum gb energy = -0.0060786103941612366 eV
minimum distance =  2.34570005876558 Angstroms
sigma value = 33


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

Energy: 1.3480162363170811
Energy: 0.19295676372352985
Energy: 0.19153583192054216
Energy: 0.18514530808309093
Energy: 0.46773662082805656
Energy: 0.17601809566002266
Energy: 0.547102680478056
Energy: 0.3724111463208635
Energy: 0.27539628584665243
Energy: 0.2548669264914116
Energy: 0.396388718932626
Energy: 0.24895351567845797
Energy: 0.44403188286792056
Energy: 0.1668932024585004
Energy: 0.19813336087023734
Energy: 0.40472005314390946
Energy: 0.1606670713184984
Energy: 0.19120790766753784
Energy: 0.419542326227012
Energy: 0.18578583412204588
Energy: 0.187032784227949
Energy: 0.4123679226407126
Energy: 0.13319010952373628
Energy: 0.18936093554291564
Energy: 0.38733074333770134
Energy: 0.29746957582302685
Energy: 0.2803789405284766
Energy: 0.307895647421525
Energy: 0.27623574989917815
Energy: 0.2796966347773012
Energy: 0.3443755980932738
Energy: 0.26673100348515305
Energy: 0.2517741991133819
Energy: 0.21466187912065218
Energy: 0.31764682887811857
Energy: 0.20028656547820498
Energy: 0.5682672835816891
Energy: 0.2650509713866743
Energy: 0.25851603824560765
Energy: 0.40619422184708676
Energy: 0.2928996856401695
Energy: 0.257974993388159
Energy: 0.5495443874221942
Energy: 0.315454215712369
Energy: 0.3237133333026192
Energy: 0.5564966886098297
Energy: 0.313169240320807
Energy: 0.3186340125157236
Energy: 0.3562769062588863
Energy: 0.29572228156145175
Energy: 0.30697426385035886
Energy: 0.33815234828423535
Energy: 0.5061587723440518
Energy: 0.314969059083218
Energy: 0.3503769792167753
Energy: 0.32100046348144207
Energy: 0.35294481690510665
Energy: 0.35543832879364184
Energy: 0.3231918153419814
Energy: 0.33047129395894365
Energy: 0.46220775801817443
Energy: 0.3256467098958767
Energy: 0.336684006637483
Energy: 0.33309914680938174
Energy: 0.49200767095549175
Energy: 0.32217123774266676
Energy: 0.6952202883282402
Energy: 0.34376373084505746
Energy: 0.3383118278435765
Energy: 0.49105264009442
Energy: 0.2544710275663359
Energy: 0.32434898230398607
Energy: 0.5535948657343314
Energy: 0.28501647777055883
Energy: 0.2958046425549661
Energy: 0.5478616582463071
Energy: 0.30210092986674647
Energy: 0.3348060229185307
Energy: 0.5681605354341136
Energy: 0.31781190120859837
Energy: 0.32377262608182655
Energy: 0.26175115482808897
Energy: 0.37709322720689137
Energy: 0.2919350332981457
Energy: 0.28392331573029056
Energy: 0.3094287173943768
Energy: 0.31002661702223283
Energy: 0.31503737436398893
Energy: 0.30147590302315364
Energy: 0.27921003723027554
Energy: 0.31471438530922774
Energy: 0.24163213422536137
Energy: 0.22573304108334818
Energy: 0.5178399021022361
Energy: 0.4806920153393373
Energy: 0.2168543125242373
Energy: 0.47727016557816504
Energy: 0.2576395882681851
Energy: 0.2554365446433932
Energy: 0.3811434451447992
Energy: 0.24822634969458948
Energy: 0.25031285574776707
Energy: 0.43895192312574227
Energy: 0.39714395721140106
Energy: 0.276599176989408
Energy: 0.25560215527135993
Energy: 0.39832941624727775
Energy: 0.2784515670184563
Energy: 0.5355935467975081
Energy: 0.499751663633921
Energy: 0.16986179479408844
Energy: 0.17707097639013986
Energy: 0.48484587329751555
Energy: 0.15810944780225633
Energy: 0.5423202642774201
Energy: 0.40443836057506544
Energy: 0.3852481337539232
Energy: 0.20857437567733653
Energy: 0.39439793697519515
Energy: 0.2550076133995526
Energy: 0.4750563587633023
Energy: 0.14554560485949725
Energy: 0.19245012808961773
Energy: 0.41267009821906964
Energy: 0.14715529084087114
Energy: 0.18977600538264686
Energy: 0.413094792902428
Energy: 0.18213366892242067
Energy: 0.1733699861757211
Energy: 0.41490154878691826
Energy: 0.18204310679573094
Energy: 0.1747331475542835
Energy: 0.5709419932085819
Energy: 0.27242685481284573
Energy: 0.26901724723765974
Energy: 0.28989237001911544
Energy: 0.39447079873179475
Energy: 0.2489198765026783
Energy: 0.5328054470254272
Energy: 0.23903882120394174
Energy: 0.24618451204178923
Energy: 0.19235859345575354
Energy: 0.2674374497625975
Energy: 0.1960831618437288
Energy: 0.5735632069703964
Energy: 0.24585879764009666
Energy: 0.2568343972959133
Energy: 0.42382708835498767
Energy: 0.2630071969575787
Energy: 0.24351712406337805
Energy: 0.641535467927398
Energy: 0.3269370159533103
Energy: 0.3282572728401925
Energy: 0.6271687487213897
Energy: 0.31941721595545547
Energy: 0.30956751941659866
Energy: 0.35854971272872194
Energy: 0.30525763604028383
Energy: 0.32758608002632755
Energy: 0.36700027355305
Energy: 0.31701914818217586
Energy: 0.2972269731355384
Energy: 0.3409271277599707
Energy: 0.33856502208387157
Energy: 0.3475349329533263
Energy: 0.3641782557045936
Energy: 0.31283870813343234
Energy: 0.33643319277475203
Energy: 0.48021107512810257
Energy: 0.29327870271884227
Energy: 0.31036630268973214
Energy: 0.3183302787495012
Energy: 0.4962475009948715
Energy: 0.32471634590393217
Energy: 0.7291074994445715
Energy: 0.32455455488488066
Energy: 0.3276863796071464
Energy: 0.7140232089225856
Energy: 0.3714637934084289
Energy: 0.333959535227374
Energy: 0.6065984371475663
Energy: 0.2984198731062139
Energy: 0.33669124925527266
Energy: 0.54557847585973
Energy: 0.31112444651260124
Energy: 0.3212994258359724
Energy: 0.5854380715762096
Energy: 0.34089834651346296
Energy: 0.3220545881298035
Energy: 0.2727287493637652
Energy: 0.3235392944240952
Energy: 0.2865876616698393
Energy: 0.25522987746963877
Energy: 0.29366431954924027
Energy: 0.29953471174163077
Energy: 0.30865270803355693
Energy: 0.308219472540284
Energy: 0.30246907132286954
Energy: 0.47919633576618836
Energy: 0.2054854303011237
Energy: 0.2710846418349468
Energy: 0.47873566240050214
Energy: 0.24486587787832037
Energy: 0.2519458967374068
Energy: 0.6029115861941249
Energy: 0.25381845876838693
Energy: 0.25222087782443703
Energy: 0.40820999548073034
Energy: 0.15082575717619487
Energy: 0.26308062496014784
Energy: 0.443769469453239
Energy: 0.26482535922604
Energy: 0.25960381546371664
Energy: 0.40198135396971985
Energy: 0.4031773886476596
Energy: 0.2585047319870176
Energy: 0.06754528326863164
Energy: 0.5086282974055586
Energy: 0.19430730017650488
Energy: 0.15888355709343727
Energy: 0.5322575407738679
Energy: 0.14500835164079845

minimum gb energy = 0.06754528326863164 eV
minimum distance =  2.38148204781956 Angstroms
sigma value = 41


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

Energy: 0.3364558036075455
Energy: 0.3863664164864656
Energy: 0.3924751558054778
Energy: 0.276596770481601
Energy: 0.7099986126647126
Energy: 0.40918042520304426
Energy: 0.5412179940945009
Energy: 0.6024453138042025
Energy: 0.6515334078219542
Energy: 0.4694521536939336
Energy: 0.6087173778828044
Energy: 0.5873845470064311
Energy: 0.8753802349186387
Energy: 0.3340915936270559
Energy: 0.33740754324834143
Energy: 0.6467203045909022
Energy: 0.3308228566428925
Energy: 0.3208787960595774
Energy: 0.6797959579143209
Energy: 0.3229206783415416
Energy: 0.32808337325227815
Energy: 0.6588524297461201
Energy: 0.3249732821264737
Energy: 0.7214246126606217
Energy: 0.6392318552250363
Energy: 0.46721165337797527
Energy: 0.4425919758146486
Energy: 0.4551316887947091
Energy: 0.5512138283153647
Energy: 0.4531511430109397
Energy: 0.3894983111077679
Energy: 0.4440917178038195
Energy: 0.4381177515846998
Energy: 0.33525222469476346
Energy: 0.7077492232467212
Energy: 0.428697488555674
Energy: 0.83202271320981
Energy: 0.635001340018407
Energy: 0.6574373022294951
Energy: 0.6518442802239944
Energy: 0.6861639727042333
Energy: 0.44404004749863135
Energy: 0.8494485375274172
Energy: 0.45803381688630573
Energy: 0.45832886385163735
Energy: 0.859904155666364
Energy: 0.44591969351706184
Energy: 0.45547910871794484
Energy: 0.48385093328400075
Energy: 0.47996977234347893
Energy: 0.4848663346674472
Energy: 0.4978757843655952
Energy: 0.46090853097948564
Energy: 0.465628069722015
Energy: 0.5079341918318329
Energy: 0.46598290508179974
Energy: 0.4704288344025987
Energy: 0.5251078401214623
Energy: 0.7541659811345484
Energy: 0.4542673606152979
Energy: 0.5200409257610914
Energy: 0.4578481477176863
Energy: 0.45632823760686475
Energy: 0.47711222301506456
Energy: 0.39930838862417445
Energy: 0.4329857506994523
Energy: 0.825304296224145
Energy: 0.3702227460675666
Energy: 0.4738394439470318
Energy: 0.6007006298829978
Energy: 0.40910672008059673
Energy: 0.36020437443556325
Energy: 0.8111554679019786
Energy: 0.5899597143834096
Energy: 0.4490519726005573
Energy: 0.6304010556599631
Energy: 0.6697195888983996
Energy: 0.4627563126323473
Energy: 0.3193896502641184
Energy: 0.6763376298789396
Energy: 0.3663074849359292
Energy: 0.29256295089346623
Energy: 0.685130789797696
Energy: 0.36987645083546505

minimum gb energy = 0.276596770481601 eV
minimum distance =  2.35730159276086 Angstroms
sigma value = 11


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

Energy: 1.7479750990052547
Energy: 0.8293525717995776
Energy: 0.7555676644485732
Energy: 0.7189616425424488
Energy: 0.657163414772777
Energy: 0.7486267496442556
Energy: 1.0121037917001403
Energy: 0.58891819616737
Energy: 0.6845724594937153
Energy: 0.6609904198029569
Energy: 0.5991520171329049
Energy: 0.6858627258357451
Energy: 1.0638730749022458
Energy: 0.5928749145781507
Energy: 0.6145298869816169
Energy: 0.6301968972803172
Energy: 0.6223023147140855
Energy: 0.6408817220305911
Energy: 0.7589937227300041
Energy: 0.5989225991885511
Energy: 0.6499716492825753
Energy: 0.6929528216969075
Energy: 0.5956583061308781
Energy: 0.6474487251941893
Energy: 0.7426483872165309
Energy: 0.7741916491718546
Energy: 0.6923151124862509
Energy: 0.6508136396034189
Energy: 0.7760838103347099
Energy: 0.6617193017094875
Energy: 0.7474994973839135
Energy: 0.6924946001276076
Energy: 0.715210075985153
Energy: 0.6532146582416926
Energy: 0.7485138932408106
Energy: 0.6815653670733975
Energy: 0.8674251010711899
Energy: 0.909538612588674
Energy: 0.7738053211645397
Energy: 0.8671282973658636
Energy: 0.8065892005579711
Energy: 0.7724727743200621
Energy: 1.0368552202038308
Energy: 0.6634339078993537
Energy: 0.6637175076948278
Energy: 0.915956584277594
Energy: 0.6497715997254568
Energy: 0.6584265455195727
Energy: 0.666258233166447
Energy: 0.6363669766105241
Energy: 0.6336951877805896
Energy: 0.5603404248410221
Energy: 0.6493541599129753
Energy: 0.6306160548409242
Energy: 0.6703691560337357
Energy: 0.6362922012054766
Energy: 0.6426297511942741
Energy: 0.5593160962612221
Energy: 0.6454874267391849
Energy: 0.6343185373821035
Energy: 0.8198872045441786
Energy: 0.5991952844807846
Energy: 0.641498212362209
Energy: 0.6501157100426087
Energy: 0.6165519530394896
Energy: 0.6593209487553088
Energy: 0.7319550713638368
Energy: 0.5386106391306597
Energy: 0.5424457145147591
Energy: 0.6461892791899424
Energy: 0.4979716929884967
Energy: 0.5869911186631823
Energy: 0.7615390839613505
Energy: 0.6488139620026008
Energy: 0.649019802239259
Energy: 0.6577500402315599
Energy: 0.6498410349031852
Energy: 0.6463771184587105
Energy: 0.6918243843601138
Energy: 0.6846805919095648
Energy: 0.6612123667362406
Energy: 0.600331953342456
Energy: 0.6343766798051155
Energy: 0.701444779744807
Energy: 0.8658128654558378
Energy: 0.6525967585202556
Energy: 0.6542107491217395
Energy: 0.669252361033008
Energy: 0.642068123777983
Energy: 0.6506202063029902
Energy: 0.828098156838911
Energy: 0.6775040082579984
Energy: 0.700393273773133
Energy: 0.9787132031984597
Energy: 0.6713886872554551
Energy: 0.6914967175275509
Energy: 0.8471495926469158
Energy: 0.674034363601344
Energy: 0.693912148991194
Energy: 0.7183412448069058
Energy: 0.6766110993254041
Energy: 0.6884843458137881
Energy: 1.3706018649406946
Energy: 0.8925829604195686
Energy: 0.7706501486534444
Energy: 0.7829917147651028
Energy: 0.8782362551090483
Energy: 1.0048700033788736
Energy: 0.7578088902434279
Energy: 0.6655983703828513
Energy: 0.673770462601687
Energy: 0.7658941586857347
Energy: 0.6902460527011041
Energy: 0.6641999317828059
Energy: 0.7786793402345868
Energy: 0.5911798681648273
Energy: 0.5734154548531922
Energy: 0.6970538381619651
Energy: 0.5847483494365759
Energy: 0.6287367041989401
Energy: 0.9402720787627511
Energy: 0.5921082989733256
Energy: 0.6365385659555824
Energy: 0.7007767018136364
Energy: 0.5734796115823192
Energy: 0.6985804989029296
Energy: 0.8773416745088415
Energy: 0.657583055926021
Energy: 0.6857478532331234
Energy: 0.6163366681221315
Energy: 0.701354524000043
Energy: 0.67193797062676
Energy: 0.6444596377296408
Energy: 0.6526655893696424
Energy: 0.6319062223207151
Energy: 0.5511908700957331
Energy: 0.6847859895317033
Energy: 0.6020474938065488
Energy: 0.9226545334449744
Energy: 0.7892311659265963
Energy: 0.6686370091725021
Energy: 0.6997711137199703
Energy: 0.8643470155564953
Energy: 0.6587747341179938
Energy: 1.1176438880306176
Energy: 0.7699607710298618
Energy: 0.8949788162268455
Energy: 0.9468635606717103
Energy: 0.6397336506275784
Energy: 0.6121724310622453
Energy: 0.7569355082712934
Energy: 0.7131415821677882
Energy: 0.6569825684297042
Energy: 0.6425699795169707
Energy: 0.7308067021176865
Energy: 0.6937853630784608
Energy: 0.7416576840852773
Energy: 0.73095210292153
Energy: 0.6736143960544675
Energy: 0.6731047599437985
Energy: 0.7366118558982514
Energy: 0.691613692362839
Energy: 0.7504900107771744
Energy: 0.6694858909184316
Energy: 0.6550198933167234
Energy: 0.63328336596801
Energy: 0.7611179186597363
Energy: 0.6644226490411679
Energy: 1.1403884063988174
Energy: 0.6826410828421515
Energy: 0.6737427742541165
Energy: 0.8294561784940806
Energy: 0.5950307350038517
Energy: 0.6568486385250625
Energy: 1.0748675393757525
Energy: 0.7345106742329901
Energy: 0.7168421490789296
Energy: 0.6582563169491823
Energy: 0.6596077472645598
Energy: 0.641670338477228
Energy: 0.6278379760692618
Energy: 0.6528095376050503
Energy: 0.6004297451031843
Energy: 0.542512510853167
Energy: 0.6574720249583681
Energy: 0.6012483497283627

minimum gb energy = 0.4979716929884967 eV
minimum distance =  2.33910179563032 Angstroms
sigma value = 57


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

Energy: 1.6268816997108007
Energy: 1.1848742618015005
Energy: 1.1959527605033993
Energy: 0.9641519962843058
Energy: 0.7628736715013734
Energy: 0.7627119730707326
Energy: 1.0292805726038343
Energy: 0.6521847587573095
Energy: 0.8974380396787784
Energy: 0.8546752632466602
Energy: 0.9278992870238744
Energy: 0.8564530579811845
Energy: 0.9519076707320601
Energy: 0.676623642288092
Energy: 0.7003980236904855
Energy: 0.7680581757355676
Energy: 0.6825664448094253
Energy: 0.9308718275880511
Energy: 0.9163176547078697
Energy: 0.7780430333289734
Energy: 0.7663029071696493
Energy: 0.7863233235663138
Energy: 0.6743414603394982
Energy: 0.766581282962948
Energy: 0.8774677242437988
Energy: 0.9233047714387198
Energy: 0.8817635556117821
Energy: 0.8209057728727425
Energy: 0.9428681769850871
Energy: 0.8843228232468541
Energy: 0.9009379922984844
Energy: 0.898918697890483
Energy: 0.9023010374791518
Energy: 0.8213151085551224
Energy: 0.9252155202764897
Energy: 0.7708840831464887
Energy: 0.8482888329619205
Energy: 0.8516625809819932
Energy: 0.9848837363267561
Energy: 0.9499904550124186
Energy: 0.8476921498820583
Energy: 0.900038716515663
Energy: 0.8656856571210867
Energy: 0.8854777315478004
Energy: 0.7757971632710956
Energy: 0.9591064552317513
Energy: 0.785273395088932
Energy: 0.8894457723767443
Energy: 0.8587179423199839
Energy: 0.6719476586788118
Energy: 0.7118705541378569
Energy: 0.7247489060602965
Energy: 0.966481009356455
Energy: 0.7120208474450452
Energy: 0.8631958587620941
Energy: 0.6818722044702488
Energy: 0.7099863575569015
Energy: 0.7326041800206273
Energy: 0.9423281231640346
Energy: 0.7114936769489869
Energy: 1.1083571397662901
Energy: 0.7671240598207725
Energy: 0.7713544685424205
Energy: 0.7663322415314112
Energy: 0.7532141844876323
Energy: 0.7628471789548242
Energy: 1.108973295977753
Energy: 0.8092535778287565
Energy: 0.819904492926032
Energy: 0.7687518557045244
Energy: 0.6744820808661183
Energy: 0.8069144618444541
Energy: 0.9387750902949069
Energy: 0.9028324382808581
Energy: 0.8925143276605907
Energy: 0.7803901344541723
Energy: 0.9026435650663154
Energy: 0.8963520829386867
Energy: 0.9045594422170873
Energy: 0.9337010858843348
Energy: 0.900639297294793
Energy: 0.8162627768262831
Energy: 0.7070855701417449
Energy: 0.9193901794079693
Energy: 1.0608514845161279
Energy: 0.7255956730326448
Energy: 0.77072092215529
Energy: 0.7800272503639172
Energy: 0.7174435873112408
Energy: 0.7675082187543705
Energy: 0.9298991912453904
Energy: 0.7269362075482834
Energy: 0.7311043151859824
Energy: 1.0424537069912527
Energy: 0.7219597024778663
Energy: 0.9276038250011167
Energy: 1.0079118902658737
Energy: 0.9343659133819702
Energy: 0.9046810105247526
Energy: 0.907839847932972
Energy: 0.9337554781356641
Energy: 0.9006276896284495

minimum gb energy = 0.6521847587573095 eV
minimum distance =  2.31441648409042 Angstroms
sigma value = 9


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

Energy: 1.1884846330946781
Energy: 0.8336797431856767
Energy: 0.8833746343655939
Energy: 0.8990004431053434
Energy: 0.7977871029772116
Energy: 0.8831649818555443
Energy: 1.121932850353417
Energy: 0.8609742844604468
Energy: 0.8320381535102748
Energy: 0.8515640680854488
Energy: 0.8729738546667174
Energy: 0.8707034860822283
Energy: 0.9955792914203291
Energy: 0.8688370581019197
Energy: 0.9130431644752414
Energy: 0.9684977231891206
Energy: 0.8703463925066125
Energy: 0.9367439369066557
Energy: 0.92974831695631
Energy: 0.8925872601521119
Energy: 0.8865608494361942
Energy: 0.8235429679212981
Energy: 0.8623361368547203
Energy: 0.8789073246788554
Energy: 0.9236814420448051
Energy: 0.6025823421809443
Energy: 0.5757630554074571
Energy: 0.8175617065367727
Energy: 0.6292760178012805
Energy: 1.0038287309856213
Energy: 0.9292948203862847
Energy: 0.8665903700891646
Energy: 0.8103551143056923
Energy: 0.807250780704399
Energy: 0.8040204029009631
Energy: 0.8231836215184385
Energy: 0.9011923729130283
Energy: 0.8901603543073014
Energy: 0.8504608074676167
Energy: 0.5294484945423633
Energy: 0.8855915529938047
Energy: 0.8527860460764973
Energy: 1.0248198078095694
Energy: 0.8167380110577891
Energy: 0.8274912232270868
Energy: 0.8316030881247347
Energy: 0.7879651521909293
Energy: 0.8481269784736709
Energy: 1.021395400507401
Energy: 0.8744860908010536
Energy: 0.8795915270684059
Energy: 0.8425731013760257
Energy: 0.8714368001673976
Energy: 0.8720771719040433
Energy: 1.0124419304515762
Energy: 0.8051488509227831
Energy: 0.8267187448814153
Energy: 0.814841445729068
Energy: 0.8143936968688733
Energy: 0.8335542078239294
Energy: 0.7289003729912531
Energy: 0.9721834867820484
Energy: 0.937830443947312
Energy: 0.8931264534290707
Energy: 0.9453808590568915
Energy: 0.9620008424893461
Energy: 1.0262385970767192
Energy: 0.839436629110129
Energy: 0.8674438491258255
Energy: 0.8447770296134796
Energy: 0.8721881424236352
Energy: 0.9033250726041336
Energy: 1.0747763020386787
Energy: 0.9812070835733119
Energy: 0.9161140589661381
Energy: 0.8747084337854141
Energy: 0.841348878805488
Energy: 0.8516123349517822
Energy: 1.0106202164201898
Energy: 0.8663060746266937
Energy: 0.9027136161289959
Energy: 0.9008020580267229
Energy: 0.8796164065094766
Energy: 0.8822353969405822
Energy: 1.061842952741461
Energy: 0.8052905551757985
Energy: 0.8189911348235551
Energy: 0.9081284223539757
Energy: 0.7880639453889887
Energy: 0.8759337071109697
Energy: 0.9401674402797078
Energy: 0.8065916226946102
Energy: 0.8691705811132205
Energy: 0.9582474011542574
Energy: 0.827490191092839
Energy: 0.8040625404369766
Energy: 0.9935180875591575
Energy: 0.8518798462986635
Energy: 0.9071180350495254
Energy: 0.8296896087688818
Energy: 0.8927624006003604
Energy: 0.8723962390312612
Energy: 1.3414233928268084
Energy: 0.9652801947825809
Energy: 1.0159523248864524
Energy: 0.8106165352909285
Energy: 0.8903496565089487
Energy: 1.0304068475636081
Energy: 1.0112431414874847
Energy: 0.8566096991139877
Energy: 0.8934617828841266
Energy: 0.8881489342137231
Energy: 0.7121602829600868
Energy: 0.846992029068884
Energy: 0.8002490399482282
Energy: 0.9033508410917676
Energy: 0.9216374613053029
Energy: 0.8698705965833784
Energy: 0.8954637663079741
Energy: 0.9303347591043236
Energy: 1.0094888006978318
Energy: 0.8184246118119105
Energy: 0.8450187105246193
Energy: 0.7571601450544244
Energy: 0.8106313419401057
Energy: 0.8896317574638063

minimum gb energy = 0.5294484945423633 eV
minimum distance =  2.27129984244942 Angstroms
sigma value = 27


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

Energy: 1.9253296924519838
Energy: 1.2922886094551764
Energy: 1.2754577028242942
Energy: 1.2639910938596717
Energy: 0.9111226295256311
Energy: 1.2577220826678641
Energy: 1.096226456228777
Energy: 0.8766564989618678
Energy: 0.8814494345192352
Energy: 0.8864388929600365
Energy: 0.8814495127465574
Energy: 0.892509416408515
Energy: 1.1001352135122109
Energy: 0.9099247643686731
Energy: 0.8858225817901051
Energy: 0.865722684138451
Energy: 0.9839823512579702
Energy: 0.813918810838081
Energy: 0.9540482434784481
Energy: 0.861053474956846
Energy: 0.9053440193998051
Energy: 0.8979397813457058
Energy: 0.8641642489045314
Energy: 0.8551408602284918
Energy: 0.9399508993789704
Energy: 0.8334764606818208
Energy: 0.8379807760118417
Energy: 0.7401184250688014
Energy: 0.91986721011758
Energy: 0.853007979939399
Energy: 0.9822385604604031
Energy: 0.88529745527916
Energy: 0.8808946753432711
Energy: 0.8745462228363441
Energy: 0.8781722878997714
Energy: 0.8804766499524925
Energy: 0.7387697731593912
Energy: 0.8753814858076878
Energy: 0.89817151472532
Energy: 0.9842589688494098
Energy: 0.8611189268332523
Energy: 0.8422168429598863
Energy: 1.181722711928699
Energy: 0.8724589730845225
Energy: 0.8885969526456936
Energy: 0.8789637133240268
Energy: 0.8884623660640134
Energy: 0.8924435026453947
Energy: 1.2980872895947178
Energy: 0.8317694155876542
Energy: 0.7973651755936761
Energy: 0.8507019300092792
Energy: 0.844538024345721
Energy: 0.8933645009053093
Energy: 0.9652897572377547
Energy: 0.8866221672178363
Energy: 0.845477667765065
Energy: 0.8242575308345991
Energy: 0.8405161983766091
Energy: 0.607695150214508
Energy: 1.1674885490745464
Energy: 0.8259213707177516
Energy: 0.8437440711613434
Energy: 0.9486051036495974
Energy: 0.8339091368413281
Energy: 0.9311119689057629
Energy: 1.112062307756047
Energy: 0.8631877361358904
Energy: 0.8636199877528717
Energy: 0.8596354824960606
Energy: 0.8443003576672932
Energy: 0.8993807063160889
Energy: 1.1918824513177384
Energy: 0.8761404072565158
Energy: 0.8674399513135108
Energy: 0.8403875736631047
Energy: 0.8733646797499945
Energy: 0.8783300502037338
Energy: 1.1896029133975825
Energy: 0.8638387487817825
Energy: 0.8645032838687694
Energy: 0.8740373198339861
Energy: 0.9005075305550548
Energy: 0.8746595429462514
Energy: 1.0084907162274728
Energy: 0.8185222651331151
Energy: 0.802281982936358
Energy: 0.8933210697546802
Energy: 0.5264134139213053
Energy: 0.5912147914079403
Energy: 0.9524889141807172
Energy: 0.9694838423017219
Energy: 0.6103515392294333
Energy: 0.8395771800161301
Energy: 0.8998537282682187
Energy: 0.6508153686108926
Energy: 1.1070425558184103
Energy: 0.9007510017271266
Energy: 0.9011252534906529
Energy: 0.9272887972965392
Energy: 0.8845239277003061
Energy: 0.8114876209504644
Energy: 0.9362663961175971
Energy: 0.9354285005426739
Energy: 0.9338821751551861
Energy: 0.8347307302824597
Energy: 0.9236766522142399
Energy: 0.9180913007896389
Energy: 0.9183096293872307
Energy: 0.8456179979510873
Energy: 0.8678701745918896
Energy: 0.8629448151451673
Energy: 0.837002286464461
Energy: 0.8683336857443333
Energy: 1.1891207938233053
Energy: 0.8688489234689412
Energy: 0.8673796747263127
Energy: 0.8915364307520378
Energy: 0.869249258007045
Energy: 0.8796407775633674
Energy: 1.2416506769535434
Energy: 0.9183678999150838
Energy: 0.8757702313474001
Energy: 0.8548416259048985
Energy: 0.9253009634684866
Energy: 0.8915995840754204
Energy: 1.2489537324823332
Energy: 0.8061101659304123
Energy: 0.83677773053197
Energy: 1.3043910231069762
Energy: 0.8776610005185513
Energy: 0.9742991226951547
Energy: 1.1486568095563374
Energy: 0.9087050740863573
Energy: 0.8991535627220341
Energy: 0.8749927633466431
Energy: 0.9064339651983969
Energy: 0.8672560341309427
Energy: 0.9579449408362353
Energy: 0.9250044591514894
Energy: 0.9148925232059752
Energy: 0.6870911845328866
Energy: 0.9234203295652523
Energy: 0.9183972637102146
Energy: 1.0859592664538564
Energy: 0.879207270269234
Energy: 0.9199029036850871
Energy: 0.8748671364525433
Energy: 0.9340330140321947
Energy: 0.8614187990580547

minimum gb energy = 0.5264134139213053 eV
minimum distance =  2.30812288033175 Angstroms
sigma value = 19


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

Energy: 1.7910939749114931
Energy: 0.8399761492698005
Energy: 0.7860501173720111
Energy: 0.7871835556962865
Energy: 0.5376014903181514
Energy: 0.7132993362035573
Energy: 0.96201338831789
Energy: 0.6712368746806203
Energy: 0.6909383163992735
Energy: 0.6653585973594374
Energy: 0.4669898306179897
Energy: 0.6730110537040839
Energy: 0.7967839053472497
Energy: 0.6372310982907405
Energy: 0.667465048568145
Energy: 0.5858235353013693
Energy: 0.5970308999323307
Energy: 0.596434328622522
Energy: 0.976036465307778
Energy: 0.6603473502582193
Energy: 0.7023680162824296
Energy: 0.8558303449486464
Energy: 0.6514871973189851
Energy: 0.6991087264871374
Energy: 1.0842366573436415
Energy: 0.6853860448393746
Energy: 0.6172717202010671
Energy: 0.6687456536312046
Energy: 0.6764309567318614
Energy: 0.6019634982583517
Energy: 0.9387992550782215
Energy: 0.6917423548206258
Energy: 0.6940799539419332
Energy: 0.4601137731827035
Energy: 0.6522111395230159
Energy: 0.6628197593853301
Energy: 0.8153979328720611
Energy: 0.6490622038720062
Energy: 0.800517349563898
Energy: 0.6304864548489761
Energy: 0.6667988943131716
Energy: 0.6397489845330422
Energy: 0.7787023975983417
Energy: 0.8257680680159588
Energy: 0.6820822511825895
Energy: 0.6096739796898907
Energy: 0.858478046234017
Energy: 0.6887779085662932
Energy: 0.9174340851285624
Energy: 0.5941226447297256
Energy: 0.6187918626620482
Energy: 0.5881212616283549
Energy: 0.6381541113556497
Energy: 0.6162880955719754
Energy: 0.9301387258460799
Energy: 0.6246634116555138
Energy: 0.6318952378443102
Energy: 0.6336618395321817
Energy: 0.6269162329085162
Energy: 0.6312107866272779
Energy: 0.8191905391638514
Energy: 0.6748168356843788
Energy: 0.6645970944472174
Energy: 0.6698828482445165
Energy: 0.6437397828100603
Energy: 0.60245531719231
Energy: 0.92055887407435
Energy: 0.6523204487759712
Energy: 0.6586288543863901
Energy: 0.6557897968609792
Energy: 0.6581586555843378
Energy: 0.6666974279909762
Energy: 0.9603027723969251
Energy: 0.6035814477883891
Energy: 0.6228764056238358
Energy: 0.8035417609503474
Energy: 0.5937437741169695
Energy: 0.6197225799836551
Energy: 1.073564863891309
Energy: 0.6199900507964391
Energy: 0.6147233075076163
Energy: 0.840235307529135
Energy: 0.5027525527400103
Energy: 0.6556769349277216
Energy: 0.9056168390998967
Energy: 0.5588418952553654
Energy: 0.6356857119920181
Energy: 0.6424591414679021
Energy: 0.575565450586089
Energy: 0.6403956146058432
Energy: 1.07323244455894
Energy: 0.6216748120211477
Energy: 0.6285540722547337
Energy: 0.6373500302520682
Energy: 0.6101463129559537
Energy: 0.6292457107699688
Energy: 0.987811388449521
Energy: 0.554970190884649
Energy: 0.6109651097799637
Energy: 0.8044934154497285
Energy: 0.5540177070518317
Energy: 0.7150873563313309
Energy: 1.0441309825412788
Energy: 0.6370241373271841
Energy: 0.6464529312884553
Energy: 0.6532899262460348
Energy: 0.6643032399132937
Energy: 0.6309265150159217
Energy: 1.0037631726009042
Energy: 0.8814095537609778
Energy: 0.6922578422654443
Energy: 0.6180429389175504
Energy: 0.647182684247511
Energy: 0.614485200910992
Energy: 1.0118560068465896
Energy: 0.8569726920205104
Energy: 0.6642987774229099
Energy: 0.4917926060432027
Energy: 0.6592932710597329
Energy: 0.6017661440535741
Energy: 0.9298411087322325
Energy: 0.6152120952474371
Energy: 0.6381782126983722
Energy: 0.6239957900197513
Energy: 0.604078857041532
Energy: 0.6419885383972999
Energy: 0.9284300173438365
Energy: 0.6491084163703591
Energy: 0.6409433004667479
Energy: 0.6311671939402786
Energy: 0.6250300438499432
Energy: 0.6324236475592243
Energy: 1.040417623039439
Energy: 0.8366968521471226
Energy: 0.8131625300170279
Energy: 0.5745816128367773
Energy: 0.8224233558357222
Energy: 0.5973583585746519
Energy: 0.9897256577771991
Energy: 0.8862326152195992
Energy: 0.8790775681923237
Energy: 0.61318450960474
Energy: 0.840257986619075
Energy: 0.5966515206173081
Energy: 1.0403958170067629
Energy: 0.6517901585601737
Energy: 0.6613995557952863
Energy: 0.4960960998302323
Energy: 0.6513670561428397
Energy: 0.6425897215934865
Energy: 0.9461542446075556
Energy: 0.6474742819096465
Energy: 0.6122441923282747
Energy: 0.7948742094665012
Energy: 0.6236366081812494
Energy: 0.6393316810705258
Energy: 0.9903940571515987
Energy: 0.6325707067009771
Energy: 0.6327088789455473
Energy: 0.5834898390652089
Energy: 0.6228142407758065
Energy: 0.635831270974241
Energy: 0.8446525159990065
Energy: 0.6607302005714708
Energy: 0.6507472195803582
Energy: 0.6300655155692816
Energy: 0.6047874564178797
Energy: 0.6534252425269778
Energy: 0.9732093689180156
Energy: 0.6055093024614651
Energy: 0.6418222786783201
Energy: 0.7948487736382908
Energy: 0.5628618727658468
Energy: 0.7971093598118484

minimum gb energy = 0.4601137731827035 eV
minimum distance =  2.2919446780804 Angstroms
sigma value = 101


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

Energy: 1.6551463232311587
Energy: 0.8998761309635701
Energy: 0.6493816732703461
Energy: 1.0794049356373543
Energy: 1.3031222653815004
Energy: 1.0967671289848222
Energy: 0.9945490137776768
Energy: 0.8145221489353234
Energy: 0.8269656563497122
Energy: 0.5076983733415754
Energy: 0.8276382021537139
Energy: 0.5528144363445521
Energy: 0.9642865663042145
Energy: 0.5224852730564276
Energy: 0.5337349170679986
Energy: 0.534316657564983
Energy: 0.5116790679917201
Energy: 0.5469527439651555
Energy: 0.9284989244693846
Energy: 0.8434524630096656
Energy: 0.8446214577483224
Energy: 0.8140476433359632
Energy: 0.8262172752448935
Energy: 0.8484394642999995
Energy: 1.098300139648511
Energy: 0.5094057237568199
Energy: 0.49275165541406696
Energy: 0.9450511984634925
Energy: 0.49964213071201335
Energy: 0.905218390876257
Energy: 0.93804065086025
Energy: 0.5332461136492463
Energy: 0.5377469572443738
Energy: 0.824658467647486
Energy: 0.518620766702985
Energy: 0.8375576496455739
Energy: 0.9525096572303616
Energy: 0.5485127487081791
Energy: 0.4983242677619258
Energy: 0.4466509223788803
Energy: 0.5377023546801408
Energy: 0.5948864111457846
Energy: 0.8952489652770288
Energy: 0.519524106267565
Energy: 0.5140742832612492
Energy: 0.44880808341969153
Energy: 0.7701973059437854
Energy: 0.8359944673295057
Energy: 0.8914306395418412
Energy: 0.46109837274845683
Energy: 0.4280799719380944
Energy: 0.45615356567267606
Energy: 0.4736036911512312
Energy: 0.46486293260597744
Energy: 0.899285319829445
Energy: 0.8392249948619664
Energy: 0.5241205624948442
Energy: 0.8022149460074617
Energy: 0.8394533351678399
Energy: 0.8198263038421363
Energy: 0.9916690806719882
Energy: 0.46998440224705007
Energy: 0.4961267456610916
Energy: 0.5604170736476924
Energy: 0.49323132838573336
Energy: 0.5251068981097579
Energy: 0.9772156431208765
Energy: 0.5021289694134617
Energy: 0.5059757869803819
Energy: 0.8229876809461694
Energy: 0.5111773515311008
Energy: 0.528623399799712
Energy: 0.8977809810534156
Energy: 0.4769566984313245
Energy: 0.48562522159942406
Energy: 0.520349586848594
Energy: 0.49601246165352075
Energy: 0.4968917571535334
Energy: 0.8837365834178007
Energy: 0.49798323883078766
Energy: 0.5187151436122087
Energy: 0.7408266949679403
Energy: 0.48319016909131124
Energy: 0.8282049108895042
Energy: 0.9554927006157624
Energy: 0.4681774361186749
Energy: 0.5196722150050922
Energy: 0.4981273485501018
Energy: 0.45685332414709323
Energy: 0.5289864636510647
Energy: 1.0111225002621473
Energy: 0.8338029414593767
Energy: 0.8280686357331857
Energy: 0.5138474166802045
Energy: 0.7905719816727514
Energy: 0.524424427482975
Energy: 0.9033120694394435
Energy: 0.4912154980680358
Energy: 0.3897732852159015
Energy: 0.7762745009413268
Energy: 0.5070381066992566
Energy: 0.7856388948873211
Energy: 1.0388854773990464
Energy: 0.3436347997721058
Energy: 0.5366675526627113
Energy: 0.49636323969428564
Energy: 0.3453671477500989
Energy: 0.7978979114233712
Energy: 0.8680866954692616
Energy: 0.5078038301129209
Energy: 0.5103792427424252
Energy: 0.4883570505004673
Energy: 0.5139786298875749
Energy: 0.5143953697428616
Energy: 0.9907437467441378
Energy: 0.823960468114218
Energy: 0.5166578801427096
Energy: 0.8034684152617638
Energy: 0.8319816473491539
Energy: 0.5229030308068905
Energy: 0.9213406701780124
Energy: 0.5021065200079367
Energy: 0.5211211367542855
Energy: 0.843707901740063
Energy: 0.4873379830722822
Energy: 0.7281246791972665
Energy: 0.9467093364579962
Energy: 0.4889730321079848
Energy: 0.5181582050586672
Energy: 0.46253066080012567
Energy: 0.4853108812805595
Energy: 0.5151947800004666
Energy: 0.9561024219736559
Energy: 0.541290040709007
Energy: 0.5292412714221897
Energy: 0.3745154276758046
Energy: 0.5602886150933664
Energy: 0.4756834727484319
Energy: 0.9556410307507183
Energy: 0.7928616492309435
Energy: 0.5281444178847948
Energy: 0.46234395777115983
Energy: 0.8010882091701945
Energy: 0.38761301027198947
Energy: 0.8988160121248343
Energy: 0.47218243668081966
Energy: 0.8456443283562534
Energy: 0.8093355044679569
Energy: 0.4654850020482552
Energy: 0.49811577991962325
Energy: 0.8979312615173787
Energy: 0.5032786261999956
Energy: 0.4848221382036608
Energy: 0.7821174441109197
Energy: 0.5004151072496043
Energy: 0.8259880639271048
Energy: 1.0063621436864592
Energy: 0.5418624984715971
Energy: 0.5362571171538695
Energy: 0.5485423397082895
Energy: 0.8385602477591518
Energy: 0.8251753514491326
Energy: 0.9903586813250312
Energy: 0.8190930166018819
Energy: 0.5238835917007494
Energy: 0.5611218179827425
Energy: 0.827743630095614
Energy: 0.5038797117636895
Energy: 0.8841408258683513
Energy: 0.4575554904238341
Energy: 0.5166211503730985
Energy: 0.7773209042546096
Energy: 0.4764028701307285
Energy: 0.5529334082958637
Energy: 0.8709089018524924
Energy: 0.373888621336772
Energy: 0.4797409068917492
Energy: 0.7493558443934792
Energy: 0.4132826021694345
Energy: 0.5162722936915684
Energy: 0.9334397998360884
Energy: 0.4953032881807569
Energy: 0.849058988529586
Energy: 0.5141351327004711
Energy: 0.8300383920083545
Energy: 0.5010861483839072
Energy: 0.9303085530655071
Energy: 0.8458891786206348
Energy: 0.5093748479514529
Energy: 0.4818799754140076
Energy: 0.8407122465775108
Energy: 0.5028384299703549
Energy: 0.9103987820168316
Energy: 0.4611754122723515
Energy: 0.44761594816932687
Energy: 0.5754841350539177
Energy: 0.47539135583800674
Energy: 0.4707145872788133

minimum gb energy = 0.3436347997721058 eV
minimum distance =  2.31557613592263 Angstroms
sigma value = 33


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

Energy: 0.01893618164426584
Energy: -0.012082103615463123
Energy: -0.036616854755024
Energy: -0.009840361754004696
Energy: -2.48052886201857
Energy: -0.058545690904478656
Energy: 0.20164857871897293
Energy: 0.07446483856581265
Energy: 0.08767373592267333
Energy: 0.12698997498481546
Energy: 0.09324970441284698
Energy: -3.432863046152122
Energy: 1.275798938452192
Energy: -2.5189448743416407
Energy: -2.5135035452222505
Energy: -2.4017404051348756
Energy: -2.4830325288923856
Energy: -2.5076753546612025
Energy: -0.19577282622535966
Energy: 0.07446483853818243
Energy: 0.08767373592181306
Energy: 0.12698997498481546
Energy: 0.0932497044141627
Energy: -3.4328630461619385

minimum gb energy = -3.4328630461619385 eV
minimum distance =  2.39450957894954 Angstroms
sigma value = 1