Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Fe__MO_331285495617_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.882650256156921
cohesive_energy=3.880282732726341
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.7940372859215e-19, 2.49059959931934e-19, 3.04448808345948e-19, 3.5054022575285995e-19, 3.8937698736101997e-19, 4.22655798225834e-19, 4.5148536457803e-19, 4.76625118142124e-19, 4.98618196797042e-19, 5.1806061025063195e-19, 5.351942871746279e-19, 5.50177843055796e-19, 5.632163565032879e-19, 5.74481260416942e-19, 5.841183528704519e-19, 5.92249399288002e-19, 5.9919002846649e-19, 6.05316751914906e-19, 6.102338320046519e-19, 6.14223251823312e-19, 6.175381552790579e-19, 6.19846891808652e-19, 6.211991288877479e-19, 6.21641329638732e-19, 6.21165483178434e-19, 6.19620984903258e-19, 6.1681397144049e-19, 6.125089228249319e-19, 6.06422253792366e-19, 5.982159050730179e-19, 5.874765150953159e-19, 5.742681709246199e-19, 5.5766641664311195e-19, 5.36772431159118e-19, 5.10663360731454e-19, 4.78184036007006e-19, 4.383026552334779e-19, 3.8972305751396396e-19, 3.29320998412164e-19, 2.5402830967396797e-19, 1.59806705093379e-19, 4.1228490887395196e-20, -1.0856605220245438e-19, -2.99964315947382e-19, -5.45843955260826e-19, -8.640762891890759e-19, -1.2881323897930258e-18, -1.86313916414592e-18, -2.6623369127178e-18, -3.81120971166018e-18, -5.529800499886619e-18, -8.23842429556068e-18, -1.2845611380758399e-17, -2.15878881841794e-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: 0.011767037395495167
Energy: -0.3108894987462629
Energy: 0.27445641822050215
Energy: 0.012347722481463356
Energy: -0.3108904035325835
Energy: 0.2982864864671279
Energy: -0.30694866032001994
Energy: 0.2982864864671279
Energy: 0.2554490222239531
Energy: -0.30695039619719255
Energy: 0.17285795518247876
Energy: -0.30695039654133427
Energy: 0.012347722481463356
Energy: 0.29828648646616895
Energy: -0.30694004226000676
Energy: 0.2982864864671279

minimum gb energy = -0.3108904035325835 eV
minimum distance =  2.45555699066105 Angstroms
sigma value = 1


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

Energy: 1.7683856578162138
Energy: 0.7922962692635167
Energy: 0.7924444358388305
Energy: 0.8683697739966346
Energy: 1.9326378872959442
Energy: 0.7944044290769127
Energy: 0.7926050560882718
Energy: 0.7944044290757437
Energy: 1.9254358546625217
Energy: 0.790003492586565
Energy: 0.7949864331111666
Energy: 0.7900034925877614
Energy: 1.920761764161684
Energy: 0.7906148545288525
Energy: 0.8211194755689621
Energy: 0.7906148545276561
Energy: 1.505333355990062
Energy: 0.7917229734898309
Energy: 0.9767222424958576
Energy: 0.7917229734886347
Energy: 1.908544905840191
Energy: 0.8206505733276632
Energy: 1.0475581761870216
Energy: 0.8206505733276632
Energy: 1.512274276159069
Energy: 0.7924259899065036
Energy: 1.0531340865171908
Energy: 0.792425989900522
Energy: 1.5191571470982517
Energy: 0.7923384324538228
Energy: 1.0572086997493806
Energy: 0.7923384324526266
Energy: 1.250728360716733
Energy: 0.8169393295204251
Energy: 1.043447185186539
Energy: 0.8169393295216215
Energy: 1.5100606124592866
Energy: 0.8733532255034583
Energy: 1.5177601538142251
Energy: 0.8733532255046546
Energy: 1.4273111221083876
Energy: 0.8225937437146345
Energy: 1.3859093570011556
Energy: 0.8225937437134383
Energy: 1.0601269928537211
Energy: 0.8083722128381404
Energy: 1.5191204529773061
Energy: 0.808372212836944
Energy: 1.0543415168778063
Energy: 0.7928262449901516
Energy: 1.517221618427791
Energy: 0.7928262449925444
Energy: 1.0502613925504056
Energy: 0.8037140579962617
Energy: 1.8960632251670104
Energy: 0.8037140579950656
Energy: 1.0350079161493029
Energy: 0.7922855527356905
Energy: 1.6442499972554225
Energy: 0.7922855527368867
Energy: 0.8312717212234921
Energy: 0.8300389563709175
Energy: 1.9104433437499706
Energy: 0.8300389563697212
Energy: 0.794686792161931
Energy: 0.789946469913141
Energy: 1.9154900213891306
Energy: 0.7899464699107485
Energy: 0.7920105561364257
Energy: 0.7933791932216323
Energy: 1.9317239080572042
Energy: 0.7933791932216323
Energy: 0.792725282268043
Energy: 0.7937143532429358
Energy: 1.7631677183235017
Energy: 0.7937143532429358
Energy: 0.8775833408470776
Energy: 0.8076210420024441
Energy: 1.9159799595445874
Energy: 0.8076210420084255
Energy: 0.8806077534557715
Energy: 0.7916032180365211
Energy: 1.7900790491631202
Energy: 0.7916032180377175
Energy: 0.8830030960829864
Energy: 0.7918795794431895
Energy: 1.7863201142807916
Energy: 0.7918795794431895
Energy: 0.8740825921056506
Energy: 0.8079447641209395
Energy: 1.5160955836212773
Energy: 0.8079447641209395
Energy: 1.2571673733669706
Energy: 0.8045193608683748
Energy: 1.786965451831802
Energy: 0.8045193608671786
Energy: 1.2606264139790218
Energy: 0.8852620918828213
Energy: 1.424741489585386
Energy: 0.8852620918840177
Energy: 1.257836998636428
Energy: 0.8954335689214143
Energy: 1.2585433332941904
Energy: 0.8954335689226105
Energy: 1.2551003788418884
Energy: 0.8829471292468414
Energy: 1.256671866008425
Energy: 0.8829471292468414
Energy: 1.7860197392349575
Energy: 0.7922591381410405
Energy: 1.2562647100321842
Energy: 0.7922591381422369
Energy: 1.6544124100934017
Energy: 0.8086634679849584
Energy: 1.2539843278599994
Energy: 0.808663467987351
Energy: 1.6398249869033852
Energy: 0.8339603050023007
Energy: 0.8744523884693824
Energy: 0.8339603050011046
Energy: 1.789079484366628
Energy: 0.7926668227862889
Energy: 0.8824015197333688
Energy: 0.7926668227850927
Energy: 1.931042049533561
Energy: 0.8067417601611869
Energy: 0.8748832351483706
Energy: 0.806741760174346
Energy: 1.8839751962440283
Energy: 0.7934306969879881
Energy: 0.8722108152423755
Energy: 0.7934306969903805

minimum gb energy = 0.7899464699107485 eV
minimum distance =  2.37466548979059 Angstroms
sigma value = 1


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

Energy: 2.792488291476595
Energy: 0.8469146761029958
Energy: 0.8464412198979565
Energy: 0.8674040111056408
Energy: 1.8484961320276418
Energy: 0.8489216926480703
Energy: 0.8494098326587806
Energy: 0.8489216926480703
Energy: 1.8445481346242292
Energy: 0.8465003085786973
Energy: 0.8448806766969748
Energy: 0.8465003085773335
Energy: 1.846190534289693
Energy: 0.8490363308836745
Energy: 0.8747760854256257
Energy: 0.8490363308809467
Energy: 1.517885168796959
Energy: 0.8464236238011265
Energy: 0.9070066806469451
Energy: 0.8464236238038545
Energy: 1.8484806164147785
Energy: 0.8473368277821346
Energy: 1.0457308208871934
Energy: 0.8473368277821346
Energy: 1.5351383495283475
Energy: 0.9471112714070447
Energy: 1.0683619829755848
Energy: 0.9471112714084087
Energy: 1.5235624114864863
Energy: 0.846561764310631
Energy: 1.0694505337710478
Energy: 0.846561764310631
Energy: 1.5256019951938753
Energy: 0.873451291272363
Energy: 1.2795381941765653
Energy: 0.873451291273727
Energy: 1.5171156039018416
Energy: 0.9463627035309163
Energy: 1.521481830323278
Energy: 0.9463627035309163
Energy: 1.29482361997242
Energy: 0.846215040362619
Energy: 1.2082325559697822
Energy: 0.846215040362619
Energy: 1.0865525061962849
Energy: 0.8488761248478669
Energy: 1.2289074668550974
Energy: 0.8488761248478669
Energy: 1.0638688182134757
Energy: 0.9592463250760497
Energy: 1.5374094311861528
Energy: 0.9592463250760497
Energy: 1.0455191991102655
Energy: 0.8487220798526384
Energy: 1.8425492273504003
Energy: 0.8487220798512745
Energy: 1.0370566842324587
Energy: 0.8465759750774481
Energy: 1.7717166142182883
Energy: 0.8465759750774481
Energy: 0.8731734083775534
Energy: 0.845464836150325
Energy: 1.8085738712931556
Energy: 0.845464836150325
Energy: 0.8453632483127036
Energy: 0.8467133132407362
Energy: 1.8343069504746767
Energy: 0.8467133132407362
Energy: 0.8477648917543913
Energy: 0.8452804571136716
Energy: 1.8470905118703769
Energy: 0.8452804571123075
Energy: 0.8465226191100035
Energy: 0.8470349990450636
Energy: 1.5118228883168348
Energy: 0.8470349990437307
Energy: 1.0447991167491888
Energy: 0.8441608690091078
Energy: 1.8470626538676578
Energy: 0.8441608678270716
Energy: 1.0681583763922085
Energy: 0.8462108859961212
Energy: 1.5362958406886678
Energy: 0.8462108859974851
Energy: 1.071259825729176
Energy: 0.8468126064832469
Energy: 1.5359260057827373
Energy: 0.8468126064832469
Energy: 1.0429352506480938
Energy: 0.8456563345482417
Energy: 1.538548584969914
Energy: 0.8456563345482417
Energy: 1.5373265958113427
Energy: 0.9430774901852912
Energy: 1.5362692173922778
Energy: 0.9430774901880192
Energy: 1.2276911928824181
Energy: 0.9199082108160128
Energy: 1.2970640944998433
Energy: 0.919908210817377
Energy: 1.2279323254077363
Energy: 0.8718584875736362
Energy: 1.088432006569461
Energy: 0.8718584875722721
Energy: 1.5349543014637523
Energy: 0.9594428414018714
Energy: 1.0640376421732338
Energy: 0.9594428414032354
Energy: 1.8267935853392856
Energy: 0.8720195677232775
Energy: 1.0420741904291415
Energy: 0.8720195677246415
Energy: 1.8089158752591719
Energy: 0.844993409114882
Energy: 1.0343076279285262
Energy: 0.844993409114882

minimum gb energy = 0.8441608678270716 eV
minimum distance =  2.38194495989184 Angstroms
sigma value = 25


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

Energy: 1.748563046009807
Energy: 0.8958360440880735
Energy: 0.895016481308429
Energy: 0.91968924476394
Energy: 1.653866013304123
Energy: 0.9075163563674489
Energy: 0.8754021264187629
Energy: 0.9075163563674489
Energy: 1.6581256930833803
Energy: 0.89437329162843
Energy: 0.8668808560886209
Energy: 0.89437329162843
Energy: 1.6277978552543428
Energy: 0.8965429146528366
Energy: 0.897785823017868
Energy: 0.896542914651251
Energy: 1.4356684833406694
Energy: 0.8957797893101754
Energy: 1.0572589392672298
Energy: 0.8957797893101754
Energy: 1.6338672939524364
Energy: 0.9276231091617368
Energy: 1.2245802051964305
Energy: 0.9276231091601513
Energy: 1.2107956447754542
Energy: 0.9740780213613697
Energy: 1.2587235032629214
Energy: 0.9740780213613697
Energy: 1.217226824331236
Energy: 0.9901685741435696
Energy: 1.2374828889647709
Energy: 0.9901685738662365
Energy: 1.2315003046982536
Energy: 1.013900724130887
Energy: 1.2262034239782225
Energy: 1.013900724130887
Energy: 1.218727201158214
Energy: 0.8885778755474747
Energy: 1.6041920817020763
Energy: 0.8885778755474747
Energy: 1.0429244362484857
Energy: 0.9245868575873878
Energy: 1.6408480075212495
Energy: 0.9245868575873878
Energy: 0.9606826631679429
Energy: 0.8923527929012335
Energy: 1.6304011002287404
Energy: 0.8923527928980622
Energy: 0.8930758868550304
Energy: 0.8948572133413729
Energy: 1.6417427551896604
Energy: 0.8948572133413729
Energy: 0.9065303484431214
Energy: 0.9235496204210173
Energy: 1.6717970929287786
Energy: 0.9235496204226027
Energy: 0.8800444111208904
Energy: 0.8928827394032227
Energy: 1.45180963280065
Energy: 0.8928827394016372
Energy: 0.9944573084875186
Energy: 0.8900396977582612
Energy: 1.62489311953367
Energy: 0.8900396977614324
Energy: 0.9849032382762261
Energy: 0.8971321527176171
Energy: 1.6316539518739501
Energy: 0.8971321527176171
Energy: 1.0054644550124403
Energy: 0.8895663895150313
Energy: 1.4614337292284019
Energy: 0.8895663895118602
Energy: 0.9714673892782777
Energy: 0.8837925900686653
Energy: 1.2295407464098655
Energy: 0.8837925900654942
Energy: 1.5040135565366248
Energy: 1.0034768305911703
Energy: 1.490877005758198
Energy: 1.0034768305943418
Energy: 1.3512218509912248
Energy: 0.9473343587758134
Energy: 1.5043674980702906
Energy: 0.947334358758408
Energy: 1.341598739345699
Energy: 0.8991406968175091
Energy: 1.0451362983369326
Energy: 0.8991406968396711
Energy: 1.5019651470577764
Energy: 0.8961777453608588
Energy: 0.9611607779925793
Energy: 0.8961777453608588
Energy: 1.627454880360425
Energy: 0.9369320732901515
Energy: 1.0512952676784753
Energy: 0.9369320732267641
Energy: 1.5621703732337702
Energy: 0.8948722310800399
Energy: 0.9889902154869392
Energy: 0.8948722310816255

minimum gb energy = 0.8668808560886209 eV
minimum distance =  2.38230828569313 Angstroms
sigma value = 9


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

Energy: 2.296651752540084
Energy: 0.9500219693443002
Energy: 0.940187147916978
Energy: 1.050169948230869
Energy: 1.4416625617030763
Energy: 0.9575349284443407
Energy: 0.9309768138264981
Energy: 0.9575349319163173
Energy: 1.4460829451623567
Energy: 0.9573949698090317
Energy: 0.9596867506247186
Energy: 0.9573949687385356
Energy: 1.3966720953833265
Energy: 0.937298738021945
Energy: 0.9818128809395948
Energy: 0.9372987309809885
Energy: 1.2022903008959556
Energy: 0.9636764438042799
Energy: 0.9489203031456327
Energy: 0.9636764432841638
Energy: 1.3827497008157867
Energy: 1.0279500899104275
Energy: 1.242924965307546
Energy: 1.063303765725828
Energy: 1.4140943685973846
Energy: 1.1018199798882407
Energy: 0.904815597497113
Energy: 1.1018199798886277
Energy: 1.258911560666569
Energy: 1.065962755584506
Energy: 1.247471140563504
Energy: 1.0659627544128796
Energy: 1.2568765250806238
Energy: 1.063251545287631
Energy: 1.1997822226118022
Energy: 1.0632515448798219
Energy: 1.2530615186606109
Energy: 0.9651414483704365
Energy: 1.4075270800692306
Energy: 0.965141448401646
Energy: 1.189489173679354
Energy: 0.963108277313401
Energy: 1.4540216811295457
Energy: 0.9631082773156793
Energy: 0.9464298368452819
Energy: 0.954380348427239
Energy: 1.4572817986059798
Energy: 0.9543803486834281
Energy: 1.0019348485767174
Energy: 0.9526057183298913
Energy: 1.4465844276805677
Energy: 0.9526057221939861
Energy: 0.9749232572388477
Energy: 0.9685373199915686
Energy: 1.4410293551375633
Energy: 0.9685373200021652
Energy: 0.9723715928236332
Energy: 0.9090553751563084
Energy: 1.2096238872937923
Energy: 0.9026531502656294
Energy: 1.2630292253509197
Energy: 1.06153728730913
Energy: 1.3808456376641063
Energy: 1.0615372873121391
Energy: 0.9230559245542455
Energy: 0.8931674094198226
Energy: 1.467171100431663
Energy: 0.8931961937493429
Energy: 0.8916799274581851
Energy: 1.069949545704565
Energy: 1.2576283768262304
Energy: 1.0699495854960988
Energy: 1.2292495943428277
Energy: 1.0795028933979764
Energy: 1.2377525792195005
Energy: 1.079502893378696
Energy: 1.3776284507831191
Energy: 1.0855323071205656
Energy: 1.2192461285631015
Energy: 1.0855323071241552
Energy: 1.4456655024744
Energy: 0.9508125672212372
Energy: 1.2000644523439068
Energy: 0.9508125672079968

minimum gb energy = 0.8916799274581851 eV
minimum distance =  2.38555703209946 Angstroms
sigma value = 25


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

Energy: 1.22434265682248
Energy: 1.1529597437393824
Energy: 1.1388120528188297
Energy: 1.1628955910002148
Energy: 1.134994380692818
Energy: 1.1004072847526074
Energy: 1.0921832438293093
Energy: 1.1004072847332027
Energy: 1.2574491929828853
Energy: 1.0791376529154266
Energy: 1.0899648142103262
Energy: 1.079137652924996
Energy: 1.1971768015952446
Energy: 1.1246076886519083
Energy: 1.1301752182253868
Energy: 1.1246076886556298
Energy: 1.1782638247544512
Energy: 1.1998256256039066
Energy: 1.2008110358654216
Energy: 1.1998256256029765
Energy: 1.2494546797674535
Energy: 1.2060613329170056
Energy: 1.2140860628633738
Energy: 1.2060613329193448
Energy: 1.2094625187365868
Energy: 1.1962549735007497
Energy: 1.2565915886646262
Energy: 1.1962549734965497
Energy: 1.0806671403842096
Energy: 1.106765036373605
Energy: 1.257453703670554
Energy: 1.1067650363742965
Energy: 1.1132041616054456
Energy: 1.0967096077731506
Energy: 1.2051214725760555
Energy: 1.0967096077701204
Energy: 1.1130979393540619
Energy: 1.1213798735757456
Energy: 1.1418423446229082
Energy: 1.121379873577633
Energy: 1.1354937770885731
Energy: 1.1269020944129255
Energy: 1.1847611271313068
Energy: 1.1269020944066257
Energy: 1.2107132673287504
Energy: 1.094389115790417
Energy: 1.1914128649905813
Energy: 1.0943891157787478
Energy: 1.1599119606083768
Energy: 1.0984271115391389
Energy: 1.1982265119167455
Energy: 1.0984271115393784
Energy: 1.1998117654995781
Energy: 1.1816722132650415
Energy: 1.1849728569321643
Energy: 1.1816722132603632
Energy: 1.2141072068114096
Energy: 1.1888168234393186
Energy: 1.1934434076537863
Energy: 1.188816823416166
Energy: 1.1837024826566775
Energy: 1.103746092939095
Energy: 1.2550529996317938
Energy: 1.103746092939095
Energy: 1.0776071350306584
Energy: 1.107443600965705
Energy: 1.1599451316370881
Energy: 1.1074436009624353

minimum gb energy = 1.0776071350306584 eV
minimum distance =  2.37960951709631 Angstroms
sigma value = 17


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

Energy: 1.2939406176832322
Energy: 1.2298633204433331
Energy: 1.2299975397945646
Energy: 1.2281965594044677
Energy: 1.2642669890859906
Energy: 1.1129728849274882
Energy: 1.1346633277136533
Energy: 1.1129728849539844
Energy: 1.2639833270337526
Energy: 1.2371524011373265
Energy: 1.2349445068314275
Energy: 1.2371524011373265
Energy: 1.3086607401830475
Energy: 1.2399202212785008
Energy: 1.2494361108512821
Energy: 1.239920221274526
Energy: 1.3054302025853048
Energy: 1.2891196969905412
Energy: 1.1836074129802092
Energy: 1.2891196969892165
Energy: 1.244728424813584
Energy: 1.2329801829685292
Energy: 1.2170883042801453
Energy: 1.232980182969854
Energy: 1.285787390524017
Energy: 1.2324815924360089
Energy: 1.2094735260827492
Energy: 1.2324815924333592
Energy: 1.1659675039487898
Energy: 1.1714762513669479
Energy: 1.2593914822075754
Energy: 1.1714762513695975
Energy: 1.1722333103240146
Energy: 1.2331638385403962
Energy: 1.2120294709848989
Energy: 1.2331638385403962
Energy: 1.1903091989077648
Energy: 1.212844509885672
Energy: 1.2432589754469239
Energy: 1.212844509885672
Energy: 1.1721534138013217
Energy: 1.2161368212532777
Energy: 1.270455315592222
Energy: 1.216136821245329
Energy: 1.2151604149801465
Energy: 1.2138428087257087
Energy: 1.241817305946685
Energy: 1.2138428087230593
Energy: 1.2362492913222887
Energy: 1.2143011982831442
Energy: 1.1951381395051517
Energy: 1.2143011982831442
Energy: 1.2137773347590366
Energy: 1.2126394151617645
Energy: 1.1721601303923148
Energy: 1.2126394151604396
Energy: 1.1849354991232655
Energy: 1.2354322485481979
Energy: 1.2087568360313548
Energy: 1.2354322485495226
Energy: 1.2159271109703564
Energy: 1.2333702739528947
Energy: 1.1706311261630287
Energy: 1.2333702739528947
Energy: 1.2334566219180467
Energy: 1.1670571716180353
Energy: 1.141770368062468
Energy: 1.1670571716180353
Energy: 1.220673640129728
Energy: 1.1656744105462133
Energy: 1.2630757127862753
Energy: 1.1656744105488628
Energy: 1.2165436611408407
Energy: 1.3052272700272478
Energy: 1.2715020626860452
Energy: 1.3052272700272478
Energy: 1.1374258818717697
Energy: 1.2714018931136704
Energy: 1.3195521062549376
Energy: 1.2714018931149953
Energy: 1.2373995149862405
Energy: 1.2397912750690672
Energy: 1.2787545504247337
Energy: 1.2397912750690672
Energy: 1.1873885987238082
Energy: 1.2371159239173555
Energy: 1.2782911088792104
Energy: 1.2371159239173555
Energy: 1.1347135275617817
Energy: 1.1373067686505944
Energy: 1.213385305911956
Energy: 1.1373067686505944
Energy: 1.3006662864890615
Energy: 1.238848364422663
Energy: 1.211220838378367
Energy: 1.238848364423988
Energy: 1.2187170900991755
Energy: 1.1561035277833902
Energy: 1.235282713056566
Energy: 1.1561035277820653
Energy: 1.2841601229208197
Energy: 1.2334586089683441
Energy: 1.2814456180623865
Energy: 1.2334586089683441
Energy: 1.2891660184480003
Energy: 1.3169422688970929
Energy: 1.2842896457265252
Energy: 1.316942268895768
Energy: 1.2783300054546125
Energy: 1.2217397720924672
Energy: 1.283076028724662
Energy: 1.2217397720818686
Energy: 1.224692072626428
Energy: 1.137900927990676
Energy: 1.207620233336201
Energy: 1.1379009279893513
Energy: 1.227884490224585
Energy: 1.2249246254781652
Energy: 1.2976025698049873
Energy: 1.2249246254834647

minimum gb energy = 1.1129728849274882 eV
minimum distance =  2.34223704269536 Angstroms
sigma value = 53


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

Energy: 1.3633017010638038
Energy: 0.826996609027171
Energy: 0.9259279587586624
Energy: 1.3760048345705045
Energy: 1.0442112246047663
Energy: 1.4521343824837651
Energy: 0.9150214803079789
Energy: 1.452134382484389
Energy: 0.023587669723056766
Energy: 1.0151009348836304
Energy: -0.041642061779927
Energy: 1.0147092361788255
Energy: 1.0616954862407029
Energy: -0.09241887331644247
Energy: 1.0286635571842169
Energy: 0.9551819030138878
Energy: 0.8831913429081348
Energy: 1.2757652051026045
Energy: 0.00991712907442529
Energy: 1.2757652051041293
Energy: 0.9828057416578782
Energy: 1.2728234653704533
Energy: 0.9933139054509877
Energy: 1.2728234653689283
Energy: 0.9126768266893087
Energy: 1.4542204355977315
Energy: -0.46391751861940284
Energy: 1.4542204355995685
Energy: -0.0686901725210118
Energy: 0.9418871127153496
Energy: -0.4286247966848551
Energy: -0.06053789348528364
Energy: 0.8977080635881957
Energy: 1.0311081318398538
Energy: 0.7427955378974314
Energy: 0.9959094491171168
Energy: 1.051938055827507
Energy: 1.2416423799593062
Energy: 0.7454121739421024
Energy: 1.2416423804976886
Energy: -0.07030005559219892
Energy: 1.2410610009976464
Energy: 0.967640418635886
Energy: 1.241061001090912
Energy: -0.05524792572694089
Energy: 0.9135381079465122
Energy: 1.0097271132339267
Energy: 0.02035409553176036
Energy: -0.4826422633785944
Energy: 1.045808362295755
Energy: 0.07294901400457554
Energy: 1.0458079997264405

minimum gb energy = -0.4826422633785944 eV
minimum distance =  2.42398637238397 Angstroms
sigma value = 9


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

Energy: 1.3622537278744453
Energy: 1.243993507885774
Energy: 1.2307309946124116
Energy: 1.2687944646660292
Energy: 1.2844554776192283
Energy: 1.3030690606024495
Energy: 1.227980393396001
Energy: 1.3030690606047073
Energy: 1.1915502475700273
Energy: 1.3970698995639248
Energy: 1.2730068197902118
Energy: 1.397069899562796
Energy: 1.3136554137881347
Energy: 1.3973421070153151
Energy: 1.3148005069412547
Energy: 1.3973421070130574
Energy: 1.367091109067347
Energy: 1.406079660807061
Energy: 1.2498655892482002
Energy: 1.4060796608059323
Energy: 1.230962767279996
Energy: 1.3624953969145508
Energy: 1.2859721342674562
Energy: 1.3624953969145508
Energy: 1.229957795660966
Energy: 1.2367649520371797
Energy: 1.323006080543953
Energy: 1.2367649520495967
Energy: 1.3255121996217443
Energy: 1.230884019538499
Energy: 1.3201870702206513
Energy: 1.2308840195407567
Energy: 1.315714930494236
Energy: 1.3201315007117351
Energy: 1.2897548520959399
Energy: 1.3201315007106063
Energy: 1.3422146211848875
Energy: 1.3169655394464779
Energy: 1.2225786404687469
Energy: 1.316965539458895
Energy: 1.3344347976024529
Energy: 1.3160333241377529
Energy: 1.3132389589380136
Energy: 1.3160333241388815
Energy: 1.3322238384016911
Energy: 1.2616993722374585
Energy: 1.2172897711702766
Energy: 1.2616993722272989
Energy: 1.3373067795712394
Energy: 1.222300969768535
Energy: 1.2212325599052627
Energy: 1.222300969767406
Energy: 1.309837079771335
Energy: 1.2257023186470604
Energy: 1.3438698401023101
Energy: 1.225702318643674
Energy: 1.310878751946276
Energy: 1.291640768462269
Energy: 1.35309772203646
Energy: 1.291640768463398
Energy: 1.266395297604521
Energy: 1.2703744650977886
Energy: 1.3972296657914136
Energy: 1.270374465101175
Energy: 1.2661041626422354
Energy: 1.2637064440211754
Energy: 1.2986609697727132
Energy: 1.263706444023433
Energy: 1.203421686446712
Energy: 1.1707456074114977
Energy: 1.2637078029192794
Energy: 1.1707456074126263
Energy: 1.2318215531903511
Energy: 1.2295321516338562
Energy: 1.3133078252519907
Energy: 1.2295321516462734
Energy: 1.2041683342189882
Energy: 1.2338724405548136
Energy: 1.3620652770067627
Energy: 1.2338724405548136
Energy: 1.2940048006886988
Energy: 1.2317451678223361
Energy: 1.298274045349949
Energy: 1.2317451678245939
Energy: 1.303273780477732
Energy: 1.233579761431747
Energy: 1.3352959742795647
Energy: 1.2335797614328758
Energy: 1.320983285799985
Energy: 1.2341564929731383
Energy: 1.2009395018451918
Energy: 1.2341564929708806
Energy: 1.3231022861883712
Energy: 1.256853445187135
Energy: 1.2313424522871907
Energy: 1.2568534451837485
Energy: 1.349823773717075
Energy: 1.262581343756739
Energy: 1.2622599656464502
Energy: 1.2625813437578677
Energy: 1.3460769346215946
Energy: 1.2688742043115682
Energy: 1.20986934606792
Energy: 1.268874204312697
Energy: 1.345831689074083
Energy: 1.26412237490321
Energy: 1.34500880742334
Energy: 1.2641223749077253
Energy: 1.360922988982817
Energy: 1.2210453697485488
Energy: 1.2856210668174815
Energy: 1.2210453697485488
Energy: 1.2212002818860042
Energy: 1.2267928312444398
Energy: 1.2843178159136062
Energy: 1.226792831242182
Energy: 1.2230179076109446
Energy: 1.2213877299653562
Energy: 1.3321545708367684
Energy: 1.221387729960841
Energy: 1.241869855249784
Energy: 1.3200763356993068
Energy: 1.3245461523808058
Energy: 1.3200763357004357
Energy: 1.2897832409944838
Energy: 1.3219546295550293
Energy: 1.400404096179616
Energy: 1.3219546295527715
Energy: 1.2868416201982948
Energy: 1.317393108071009
Energy: 1.3969652225379767
Energy: 1.3173931080653651
Energy: 1.2858687159833855
Energy: 1.2718775880499735
Energy: 1.3164012503800957
Energy: 1.2718775880499735
Energy: 1.324527275618549
Energy: 1.2370511358926377
Energy: 1.306293031010822
Energy: 1.2370511358926377

minimum gb energy = 1.1707456074114977 eV
minimum distance =  2.39110330025642 Angstroms
sigma value = 73


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

Energy: 1.3918080822183743
Energy: 1.1912203284403151
Energy: 1.1416331202985615
Energy: 1.2060491474228774
Energy: 1.1690578398008833
Energy: 1.2797906082507449
Energy: 1.0070098994493224
Energy: 1.2797902373664232
Energy: 1.1514308391328902
Energy: 1.3373629655650856
Energy: 1.2043196727455372
Energy: 1.337362965521756
Energy: 1.2946035474390325
Energy: 1.344731238401274
Energy: 1.2621062764972244
Energy: 1.344731238402719
Energy: 1.2506103507704012
Energy: 1.3547618670759856
Energy: 1.1107823589114283
Energy: 1.3547618670792012
Energy: 0.9447651169630281
Energy: 1.3125313788736934
Energy: 1.127948810212832
Energy: 1.312540294142173
Energy: 1.0359153465642637
Energy: 1.08343942764053
Energy: 1.2920642891316152
Energy: 0.9504450455251935
Energy: 1.076276202379974
Energy: 1.121677099321173
Energy: 1.2481891301091863
Energy: 1.0734918606933093
Energy: 1.2000514726463383
Energy: 1.2176828804824997
Energy: 1.139714843644329
Energy: 1.2176828815066567
Energy: 1.2443595933014706
Energy: 1.2104756636052647
Energy: 1.0987730581794193
Energy: 1.2104756612653056
Energy: 1.3276185248840777
Energy: 1.2145157788058472
Energy: 1.1737869982221862
Energy: 1.214515778818384
Energy: 1.0359520564221394
Energy: 1.202198418006744
Energy: 1.1210543576684866
Energy: 1.2021984180210716
Energy: 1.3152372974210667
Energy: 1.1474847334573852
Energy: 1.1078462747178817
Energy: 1.1475330200861056
Energy: 1.2838331285366789
Energy: 1.1792451616605335
Energy: 1.2070505989414837
Energy: 1.179245161661429
Energy: 1.2934032249633955
Energy: 1.1481748573998527
Energy: 1.2789931182649545
Energy: 1.2107365419325329
Energy: 1.1963713876382578
Energy: 1.1525852254291096
Energy: 1.3898711838199207
Energy: 1.1360567622391464
Energy: 1.1847381475181682
Energy: 1.1685644421899053
Energy: 1.2293077893214772
Energy: 1.1685644387625964
Energy: 1.119016075442501
Energy: 1.221549793059929
Energy: 1.0221040206799652
Energy: 1.221549792930144
Energy: 1.208706698458577
Energy: 1.194958538633681
Energy: 1.0163524673905442
Energy: 1.1995832954235526
Energy: 1.0934998757130032
Energy: 1.2132107955222893
Energy: 1.2932480631237535
Energy: 1.21321079959944
Energy: 1.212576917371448
Energy: 1.1900770165623311
Energy: 0.9496289335767026
Energy: 1.1900771474758622
Energy: 0.9747932578947788
Energy: 1.127678247391422
Energy: 1.206337371551729
Energy: 1.0412015752624237

minimum gb energy = 0.9447651169630281 eV
minimum distance =  2.40465866326145 Angstroms
sigma value = 7


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

Energy: 2.659279229381134
Energy: 1.2798929148117693
Energy: 1.1891364161719866
Energy: 1.2415716040100038
Energy: 1.2032135635625836
Energy: 1.2695426935916978
Energy: 1.251602513890159
Energy: 1.2695426935929641
Energy: 1.2822570828259425
Energy: 1.2363709321443463
Energy: 1.3009790791319924
Energy: 1.236370932134215
Energy: 1.3406685974273531
Energy: 1.249876751110411
Energy: 1.2675626802614888
Energy: 1.249876751110411
Energy: 1.3176608776177416
Energy: 1.2451936156467587
Energy: 1.3027119222082055
Energy: 1.2451936156454921
Energy: 1.2307379583630502
Energy: 1.24854320833237
Energy: 1.362813656263192
Energy: 1.24854320833237
Energy: 1.229240822330866
Energy: 1.2162608780628001
Energy: 1.413737292273427
Energy: 1.2162608780615336
Energy: 1.2880143404694517
Energy: 1.231472732595112
Energy: 1.404037029616374
Energy: 1.2314727325938455
Energy: 1.2616536956898754
Energy: 1.1985116428410936
Energy: 1.3056204298059422
Energy: 1.1985116428398268
Energy: 1.4462278427393895
Energy: 1.2006114430931865
Energy: 1.2046952209966004
Energy: 1.2006114430931865
Energy: 1.400831319223547
Energy: 1.2006146817056393
Energy: 1.1837609147240915
Energy: 1.2006146817031065
Energy: 1.3554298730511962
Energy: 1.2679149825224085
Energy: 1.2585021862857395
Energy: 1.2679149825249414
Energy: 1.3729624945980095
Energy: 1.2725999596685558
Energy: 1.2671446558335484
Energy: 1.2725999596685558
Energy: 1.3676474673560968
Energy: 1.25379269747499
Energy: 1.3061553740738283
Energy: 1.2537926974838547
Energy: 1.319299841488113
Energy: 1.2074163061224563
Energy: 1.189516511713551
Energy: 1.2074163061224563
Energy: 1.318954279223011
Energy: 1.1986020939703848
Energy: 1.2078510936771114
Energy: 1.1986020939956843
Energy: 1.2779022993354465
Energy: 1.195671917955207
Energy: 1.1976338063321441
Energy: 1.1956719181590136
Energy: 1.3304615439246972
Energy: 1.29253929936939
Energy: 1.3046789396078207
Energy: 1.29253929936939
Energy: 1.3212166550413826
Energy: 1.280474167814158
Energy: 1.3353449935806765
Energy: 1.2804741678154246
Energy: 1.2874083356700805
Energy: 1.2854243681848248
Energy: 1.4461594540403562
Energy: 1.2854243682101243
Energy: 1.2971942313804625
Energy: 1.1953844729113143
Energy: 1.2505543710584974
Energy: 1.1953844729113143
Energy: 1.3888951200506194
Energy: 1.210962167986185
Energy: 1.2468643442127714
Energy: 1.210961942928843
Energy: 1.3781106872683198
Energy: 1.169598290309221
Energy: 1.2796765451503302
Energy: 1.1695991756154354
Energy: 1.2968603766831608
Energy: 1.1737315082025723
Energy: 1.2554773703134765
Energy: 1.1737315082114372
Energy: 1.2460751299686448
Energy: 1.1702344924283734
Energy: 1.4584601165687283
Energy: 1.170234492435943
Energy: 1.177525899996193
Energy: 1.1745229180668348
Energy: 1.4720658587082298
Energy: 1.174522918065597
Energy: 1.1876022075601909
Energy: 1.1879505452594372
Energy: 1.3945054179051954
Energy: 1.1879505452594372
Energy: 1.2008556976387115
Energy: 1.1873369123326605
Energy: 1.3229512257568008
Energy: 1.1873369123339268
Energy: 1.2030349429616805
Energy: 1.1871973828360856
Energy: 1.4807331299930282
Energy: 1.1871973828462168
Energy: 1.1965609386509541
Energy: 1.1989806095914652
Energy: 1.3326794346564104
Energy: 1.1989806095952644
Energy: 1.2420656142365958
Energy: 1.2783396828452314
Energy: 1.29032292924783
Energy: 1.2783396828477642

minimum gb energy = 1.169598290309221 eV
minimum distance =  2.35621714867637 Angstroms
sigma value = 29


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

Energy: 1.3786200719162902
Energy: 0.3019921063576917
Energy: 0.35301542538350805
Energy: 0.7601637172826116
Energy: 0.7179992968780997
Energy: 0.6545551729782901
Energy: 0.35698379576988
Energy: 0.8112809142215619
Energy: 0.7399611145773886
Energy: 0.9048059197029426
Energy: 0.7225370084959749
Energy: 0.9126305364176993
Energy: 1.0426217327219556
Energy: 0.884411860924649
Energy: 0.4403800413588932
Energy: 0.9761780555167258
Energy: 1.1439294208883741
Energy: 0.87994727900285
Energy: 0.6820323562696727
Energy: 0.9045949235169451
Energy: 0.3393079835220581
Energy: 0.5214829534755524
Energy: 0.32463478850201016
Energy: 0.4894328168777376
Energy: 0.3647899084821502
Energy: 0.3671770679824986
Energy: 0.20626652199373666
Energy: 0.30839210833484637
Energy: 0.31443312927901906
Energy: 0.48791984097552027
Energy: 0.32920616425247107
Energy: 0.5651525002117974
Energy: 1.3723231426565001
Energy: 0.9330715958484214
Energy: 0.32635378125147524
Energy: 0.4758848468396996

minimum gb energy = 0.20626652199373666 eV
minimum distance =  2.42432096261159 Angstroms
sigma value = 5


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

Energy: 1.417147029156772
Energy: 1.298912125700876
Energy: 1.2961208922931529
Energy: 1.2339915226439853
Energy: 0.915627278801766
Energy: 0.922086422745893
Energy: 1.3116932161260464
Energy: 0.9220864227411077
Energy: 0.9215159891096434
Energy: 0.9219986938536251
Energy: 1.391325915949017
Energy: 0.9219986938548214
Energy: 0.919207741882617
Energy: 0.9210172723771661
Energy: 1.332402916587038
Energy: 0.9210172723759698
Energy: 0.9200521806014577
Energy: 0.9217203872854521
Energy: 1.165099868595659
Energy: 0.9217203872854521
Energy: 1.050704228068504
Energy: 1.0403137245921565
Energy: 1.3006418531540258
Energy: 1.0403137245921565
Energy: 1.0604606537274044
Energy: 1.0415311139448926
Energy: 1.2924117424729802
Energy: 1.0415311139460885
Energy: 1.0619609863757602
Energy: 1.036983040960041
Energy: 1.2867971992994578
Energy: 1.0369830409624332
Energy: 1.062554927314062
Energy: 1.0102551709050884
Energy: 1.1232554649352033
Energy: 1.0102551708811898
Energy: 1.352734656284431
Energy: 1.1260409612627245
Energy: 1.1194146991984366
Energy: 1.1260409612639206
Energy: 1.1471023813092975
Energy: 1.006475554879227
Energy: 1.15455752540999
Energy: 1.006475554874442
Energy: 1.206396657155029
Energy: 1.1784077018949477
Energy: 1.4083416923454504
Energy: 1.1784077018949477
Energy: 1.1188057816125827
Energy: 1.1293366608424058
Energy: 1.4039875676730074
Energy: 1.1293366608424058
Energy: 1.1043221384139768
Energy: 1.1544008170848228
Energy: 1.063416349198341
Energy: 1.1544008170860192
Energy: 1.2878352167025573
Energy: 1.0387428953624447
Energy: 1.0623446457160808
Energy: 1.0387428953636413
Energy: 1.2975688032486121
Energy: 1.0383303243563833
Energy: 1.049538457056607
Energy: 1.038330324355187
Energy: 1.160116133504142
Energy: 1.044001659645795
Energy: 1.0633532169420084
Energy: 1.0440016596445987
Energy: 1.3855065137357545
Energy: 0.9209216062409386
Energy: 0.8909377386447037
Energy: 0.9209216062421349
Energy: 1.3946690241291364
Energy: 0.9201710164433721
Energy: 0.912051318806502
Energy: 0.9201710164433721
Energy: 1.246056037551679
Energy: 0.9220167556115025
Energy: 0.9240751054230077
Energy: 0.9220167556126988
Energy: 1.278725411589974
Energy: 1.0689627320355073
Energy: 1.319285198455678
Energy: 1.0689627320498625
Energy: 1.3452003518375526
Energy: 1.3041503688824045
Energy: 1.2548078597797019
Energy: 1.3041503688812082
Energy: 1.3687490038538999
Energy: 0.9198319005097155
Energy: 0.9464969762012428
Energy: 0.9198319005085192
Energy: 1.3921148326562751
Energy: 0.9323294751161088
Energy: 0.94657942592971
Energy: 0.9323294751149125
Energy: 1.4329080691594167
Energy: 0.9452807747182385
Energy: 0.9451190180104013
Energy: 0.9452807747182385
Energy: 1.1881547818324807
Energy: 1.0866588308101413
Energy: 0.9124739569053512
Energy: 1.0866588308113376
Energy: 1.1965783464917175
Energy: 1.0997180898688212
Energy: 1.1991391453354252
Energy: 1.0997180898676249
Energy: 1.1969784893517668
Energy: 1.0918423972153386
Energy: 1.1964010841038144
Energy: 1.0918423972141422
Energy: 0.9448034135280471
Energy: 1.092500535483256
Energy: 1.1997452165259084
Energy: 1.0925005354844524
Energy: 0.9461891445913576
Energy: 0.9472412130566804
Energy: 1.3738892636387894
Energy: 0.9472412130566804
Energy: 0.9440508442174379
Energy: 0.9444893680287033
Energy: 1.3727775983209343
Energy: 0.9444893680287033
Energy: 0.9469380863129445
Energy: 0.9213956328955369
Energy: 1.3547766460871629
Energy: 0.9213956328943406
Energy: 1.0884734489619252
Energy: 1.2892071435377115
Energy: 1.3784186382662331
Energy: 1.2892071435365153

minimum gb energy = 0.8909377386447037 eV
minimum distance =  2.34195830058229 Angstroms
sigma value = 1


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

Energy: 1.735147659187257
Energy: 0.7324486129387022
Energy: 0.8906751001253752
Energy: 0.8438261928620894
Energy: 0.899159553659401
Energy: 0.7084905100858546
Energy: 0.9525497247700042
Energy: 0.7084511550167734
Energy: 0.917069234827704
Energy: 0.8615353818733342
Energy: 1.1891701368249652
Energy: 0.862053877553172
Energy: 0.9414556001249755
Energy: 0.8956507845938064
Energy: 1.0944479374898808
Energy: 0.8956507845591086
Energy: 0.9295205758708784
Energy: 0.8973559725651441
Energy: 1.083575112196047
Energy: 0.8973559790891634
Energy: 0.9039353503836244
Energy: 0.8691931742468687
Energy: 1.0690873056529813
Energy: 0.8691931742534849
Energy: 0.9338502961973609
Energy: 0.7583462773603684
Energy: 1.1347334751094431
Energy: 0.5797280950586476
Energy: 0.9235086446585251
Energy: 0.8581160815577246
Energy: 1.2032622718031527
Energy: 0.858116087486546
Energy: 0.727954163419111
Energy: 0.8438581640504368
Energy: 1.0968966812271193
Energy: 0.8120743721682444
Energy: 1.1378388809523763
Energy: 1.1184409338025336
Energy: 1.122733958991888
Energy: 1.1410247873523347
Energy: 0.716740779098138
Energy: 0.675161360236548
Energy: 1.0987033306408782
Energy: 0.6751613602233156
Energy: 0.6939236539308964
Energy: 0.6572710682952995
Energy: 1.1726657016811715
Energy: 0.657271273922522
Energy: 0.6651595452047607
Energy: 0.6055984786224264
Energy: 1.1859017969416998
Energy: 0.5695911595617348
Energy: 0.6871387148880354
Energy: 0.661402857082132
Energy: 1.0928879512760001
Energy: 0.6614028570143533
Energy: 1.1171060758563514
Energy: 1.0850704724381701
Energy: 1.1239443358889685
Energy: 1.0850703953536043
Energy: 1.0992709903213618
Energy: 1.0963077298899235
Energy: 1.126388846669622
Energy: 1.096307847013037
Energy: 1.0921732915407671
Energy: 0.9311195191750171
Energy: 1.0915775173871811
Energy: 0.931294983502734
Energy: 1.1578285147361647
Energy: 0.7970799633424419
Energy: 0.8977583468555798
Energy: 0.7981550702709124
Energy: 1.1240635730846444
Energy: 0.7511377974618988
Energy: 0.9100809288040029
Energy: 0.7098243628679366
Energy: 1.010400406258179
Energy: 0.8581627270974564
Energy: 0.8066424692758789
Energy: 0.8581620498447298
Energy: 0.7719598145190477
Energy: 0.7958197912442415
Energy: 1.0658013291305803
Energy: 0.7958197906738543
Energy: 0.8380781191635728
Energy: 0.7722144912333279
Energy: 1.2000966263453046
Energy: 0.7106300100005833
Energy: 0.8014961266939638
Energy: 0.7671192625270996
Energy: 0.9830759528989923
Energy: 0.7458701587653254
Energy: 0.8843071250112894
Energy: 0.9706099628488912
Energy: 0.9399389139141302
Energy: 0.9706099628472372

minimum gb energy = 0.5695911595617348 eV
minimum distance =  2.38482246865884 Angstroms
sigma value = 17


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

Energy: 1.360821668493052
Energy: 1.3197767959310962
Energy: 1.2994110294633507
Energy: 1.210139776612979
Energy: 0.8505657414579514
Energy: 0.8588238108607873
Energy: 1.0541923868119834
Energy: 0.8588238108607873
Energy: 0.8547633644613021
Energy: 0.8586263360063215
Energy: 1.3167110815083958
Energy: 0.8586263360063215
Energy: 0.8555324301603413
Energy: 0.8585052305639345
Energy: 1.3145244514853107
Energy: 0.8585052305659792
Energy: 0.8553879401849006
Energy: 0.8601725114989525
Energy: 1.0595699361816773
Energy: 0.8601725115020195
Energy: 1.1419132358596829
Energy: 1.0658975549302365
Energy: 1.1440550348324363
Energy: 1.0658975549353482
Energy: 1.141521074664742
Energy: 1.066224246000733
Energy: 1.1453429498641712
Energy: 1.0662242460017552
Energy: 1.14306846523487
Energy: 1.0685339219896408
Energy: 1.1451594019817724
Energy: 1.0685339219957748
Energy: 1.0537845134328427
Energy: 0.8594430042246295
Energy: 0.842073240938852
Energy: 0.8594430042236072
Energy: 1.2704343444384267
Energy: 0.8805554717158023
Energy: 0.8547363001887224
Energy: 0.8805554717188693
Energy: 1.0542051186853956
Energy: 0.8591155205978152
Energy: 0.8503133668216498
Energy: 0.8591155205998597
Energy: 1.2359842962611838
Energy: 0.9357776110853726
Energy: 1.043648330703626
Energy: 0.9357776110853726
Energy: 1.3768527307764524
Energy: 1.2083693385315648
Energy: 1.040561323408955
Energy: 1.2083693385325873
Energy: 1.0596738094908411
Energy: 0.856737592770101
Energy: 0.8496101573799091
Energy: 0.856737592767034
Energy: 1.298471534967398
Energy: 0.9072591743130485
Energy: 0.9023177018557615
Energy: 0.9072591743130485
Energy: 1.1044190155571498
Energy: 0.8572186047638578
Energy: 0.9114817212561115
Energy: 0.8572186047791929
Energy: 1.05942324854562
Energy: 1.0318282449302714
Energy: 0.8485753253690507
Energy: 1.0318282449302714
Energy: 1.062518193036441
Energy: 1.034082308179796
Energy: 1.2113328707358015
Energy: 1.034082308176729
Energy: 1.0629386789194395
Energy: 1.032523646744882
Energy: 1.209883139369413
Energy: 1.032523646744882
Energy: 0.9645651096912164
Energy: 1.0371990865889147
Energy: 1.1085366453219594
Energy: 1.0371990865878926
Energy: 0.965267639937531
Energy: 0.9624673955703344
Energy: 1.2836700888400225
Energy: 0.9624673955662449
Energy: 0.9631364698736998
Energy: 0.9622604148012776
Energy: 1.282136646702546
Energy: 0.9622604148002553
Energy: 0.9604633482206822
Energy: 0.9664920586449983
Energy: 0.9525659562871085
Energy: 0.9664920586460207
Energy: 1.1932006726095479
Energy: 1.1128430471976363
Energy: 1.1158526820338168
Energy: 1.1128430471955915
Energy: 1.053727249672066
Energy: 0.8875158861409859
Energy: 1.0500162052379114
Energy: 0.8875158861430306
Energy: 0.9589977297354902
Energy: 0.8917192877996546
Energy: 0.9612286483560721
Energy: 0.8917192877996546
Energy: 1.1567416807014497
Energy: 1.1130093108388972
Energy: 1.0932852433890303
Energy: 1.1130093108378747
Energy: 0.9545165313283434
Energy: 0.9614079216366982
Energy: 1.0083186947971572
Energy: 0.9614079216407876
Energy: 1.129771000317008
Energy: 0.9625294297649334
Energy: 0.9626128021262669
Energy: 0.9625294297639111
Energy: 1.2417676981380648
Energy: 0.963821418285201
Energy: 0.9634903633563026
Energy: 0.963821418285201
Energy: 1.1337056025021466
Energy: 0.9644531247592161
Energy: 0.9645825830007126
Energy: 0.9644531247592161
Energy: 1.2094428220178786
Energy: 1.0343991489519977
Energy: 1.0609287015220736
Energy: 1.0343991489550646
Energy: 1.2105743074351805
Energy: 1.0346859339798096
Energy: 1.0633186314230234
Energy: 1.03468593397572
Energy: 1.2093655451904912
Energy: 1.0319433995908254
Energy: 1.0597601939864942
Energy: 1.0319433995898026
Energy: 0.853271206316257
Energy: 0.8570374487841703
Energy: 1.0591559821778826
Energy: 0.8570374487821255
Energy: 0.9020816833879383
Energy: 0.9130025148375682
Energy: 1.2132855729088485
Energy: 0.9130025148375682
Energy: 0.8519519014476471
Energy: 0.8566782570756348
Energy: 1.0597990368304788
Energy: 0.8566782570735902
Energy: 1.0018721694754655
Energy: 0.9009551173650331
Energy: 1.215851853546156
Energy: 0.9009551173640108

minimum gb energy = 0.842073240938852 eV
minimum distance =  2.39900638787439 Angstroms
sigma value = 89


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

Energy: 1.6078448263288905
Energy: 0.8990734925454531
Energy: 0.9146713537635986
Energy: 0.6802478146991663
Energy: 0.40424085582784686
Energy: 0.4680898619199156
Energy: 0.4534382110111048
Energy: 0.3900272467782477
Energy: 0.40241123620848124
Energy: 0.3931676578904358
Energy: 0.8810298574492637
Energy: 0.4614958795927891
Energy: 0.5513887464593155
Energy: 0.4805995405110376
Energy: 0.8255845705764675
Energy: 0.6256532888164469
Energy: 0.6066230027153541
Energy: 0.5709408715047734
Energy: 0.42901863822400177
Energy: 0.7809364098506963
Energy: 0.633185300937162
Energy: 0.7099110832127442
Energy: 0.6911464406197387
Energy: 0.7663026624927425
Energy: 0.7111182687045879
Energy: 0.7213686762615072
Energy: 0.625684549268303
Energy: 0.6780857402185804
Energy: 0.6498935663806696
Energy: 0.7616612677486839
Energy: 0.6275185517080192
Energy: 0.8482548534079709
Energy: 0.6029986737314618
Energy: 0.5752060553881498
Energy: 0.6675375489910828
Energy: 0.39873773928687645
Energy: 0.5153958201423998
Energy: 0.6902168232842952
Energy: 0.46088879622005685
Energy: 0.5280815831012842
Energy: 0.3972943067657702
Energy: 0.4602582910571787
Energy: 0.6920198371568718
Energy: 0.518660373210814
Energy: 0.5502596263704681
Energy: 0.4127426443923233
Energy: 0.6057906465256444
Energy: 0.5547486064025119
Energy: 0.8263541947393721
Energy: 0.6159231076231653
Energy: 0.4996762224552207
Energy: 0.41042233988058874
Energy: 0.5804117995993087
Energy: 0.5095874617366434
Energy: 0.5454445910791641
Energy: 0.7236960332501947
Energy: 0.5049182834906861
Energy: 0.5867218867685902
Energy: 0.41365395730694027
Energy: 0.5679041898045787

minimum gb energy = 0.3900272467782477 eV
minimum distance =  2.38723740843898 Angstroms
sigma value = 13


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

Energy: 0.7347148846676135
Energy: 0.9988682320339745
Energy: 0.9782260748905401
Energy: 0.7211923449758475
Energy: 0.7854168543279503
Energy: 0.7942075790475507
Energy: 0.79160737036407
Energy: 0.7942075790520353
Energy: 0.7866249241799792
Energy: 0.7963967435913298
Energy: 0.7118394060195027
Energy: 0.7963967435902087
Energy: 0.7994513427938384
Energy: 0.7959149331318388
Energy: 0.7120222117081216
Energy: 0.7959149331307177
Energy: 0.7948915511691793
Energy: 0.928493530163136
Energy: 0.9395486161398708
Energy: 0.928493530163136
Energy: 0.8562632476391481
Energy: 0.9424732956664316
Energy: 0.9485859352958581
Energy: 0.9424732956664316
Energy: 0.8538206280768967
Energy: 0.942266645175157
Energy: 0.940996557056677
Energy: 0.9422666451762781
Energy: 1.004756548954954
Energy: 0.9413588162486377
Energy: 0.9384019410562846
Energy: 0.9413588162497589
Energy: 0.8543347670229909
Energy: 0.9289167034908187
Energy: 0.9427425571819739
Energy: 0.9289167034840916
Energy: 0.8526314029610853
Energy: 0.9353808002634929
Energy: 0.9390214237295819
Energy: 0.9353808002623717
Energy: 0.7909053103113286
Energy: 0.9399985665401875
Energy: 0.9401155642087877
Energy: 0.9399985665413088
Energy: 0.7928474363807774
Energy: 0.7938764375395208
Energy: 0.7879706623536972
Energy: 0.793876437540642
Energy: 0.7943602254743743
Energy: 0.7942601925702442
Energy: 0.7849026616396363
Energy: 0.7942601925736076
Energy: 0.7838872516495689
Energy: 0.795086889311285
Energy: 0.7843420378929603
Energy: 0.7950868893023155
Energy: 0.793843925679994
Energy: 0.8205162063326165
Energy: 0.7976349265353674
Energy: 0.8205162063303741
Energy: 0.7948440895005937
Energy: 0.7957538363859361
Energy: 0.7921119702809301
Energy: 0.7957538363881785
Energy: 0.7846803542328917
Energy: 0.795635487203311
Energy: 0.7855568804770018
Energy: 0.7956354872044322
Energy: 0.7783750446867832
Energy: 0.7939608885049945
Energy: 0.7303906163418953
Energy: 0.7939608885061156
Energy: 0.7848583684146898
Energy: 0.7949088125462213
Energy: 0.869911563515604
Energy: 0.7949088125473425
Energy: 0.786182336091208
Energy: 0.7957114307376844
Energy: 0.7842317602036939
Energy: 0.7957114307388056
Energy: 0.7314491167375308
Energy: 0.7951946272128982
Energy: 0.7802557070839358
Energy: 0.7951946272140195
Energy: 0.7868945758736234
Energy: 0.7947949500813519
Energy: 0.7896829550015142
Energy: 0.7947949500791094
Energy: 0.9399124601770767
Energy: 0.9386228776216866
Energy: 0.8557188209487426
Energy: 0.9386228776205655
Energy: 0.9414995391759147
Energy: 0.9431294959205572
Energy: 0.9898584140225897
Energy: 0.9431294959227996
Energy: 0.9516521956614216
Energy: 0.933776882754819
Energy: 1.0047649435739823
Energy: 0.9337768827536977
Energy: 0.9401473867285927
Energy: 0.924615111062878
Energy: 0.8542234764700603
Energy: 0.9246151110718474
Energy: 0.9427531884200993
Energy: 0.9375493172357128
Energy: 0.8534465792864038
Energy: 0.9375493172390764
Energy: 0.9404656474254669
Energy: 0.9397181353861437
Energy: 0.7855126953942697
Energy: 0.9397181353872649
Energy: 0.7862714237393782
Energy: 0.7962667810022596
Energy: 0.8012525523822842
Energy: 0.796266781005623
Energy: 0.835967908225739
Energy: 0.7941687391782299
Energy: 0.7879307036077665
Energy: 0.7941687391759874
Energy: 0.7847896005191091
Energy: 0.7954834690082605
Energy: 0.7845452543557467
Energy: 0.7954834690048971
Energy: 0.7891002343047216
Energy: 0.7952336386750831
Energy: 0.7925098220901349
Energy: 0.7952336386739618
Energy: 0.7869946940155333
Energy: 0.7945492458972615
Energy: 0.7938801820159119
Energy: 0.7945492458983826
Energy: 0.7832038643210136
Energy: 0.7736778253100286
Energy: 0.7855993423475183
Energy: 0.7736778253089074
Energy: 0.8754764272985147
Energy: 0.7933766118014784
Energy: 0.7946340237774241
Energy: 0.7933766117981149

minimum gb energy = 0.7118394060195027 eV
minimum distance =  2.37443758218323 Angstroms
sigma value = 37


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

Energy: 0.5026926847666241
Energy: 0.8639615360791713
Energy: 0.8388678173817732
Energy: 0.5717455032206396
Energy: 0.7098612848009082
Energy: 0.6767785897007009
Energy: 0.7245959220716923
Energy: 0.6710095865745255
Energy: 0.6989451796446057
Energy: 0.7196571606816058
Energy: 0.5902526725683089
Energy: 0.719657581393831
Energy: 0.7131859781336545
Energy: 0.7086832176685783
Energy: 0.5932640053699109
Energy: 0.7086832182429442
Energy: 0.7083629977521533
Energy: 0.8434463955904815
Energy: 0.7663087183986957
Energy: 0.8434463955860317
Energy: 0.8701373401239728
Energy: 0.7837039154804298
Energy: 0.7262321307153468
Energy: 0.783703755146983
Energy: 0.8593377982785296
Energy: 0.7059166231585572
Energy: 0.7585409646800324
Energy: 0.7783155119955127
Energy: 0.8081077531371234
Energy: 0.8212013355918893
Energy: 0.7711740851107385
Energy: 0.8212187601771779
Energy: 0.6319866313314956
Energy: 0.8282292922173394
Energy: 0.767358377707724
Energy: 0.8282292922167697
Energy: 0.7069997536432845
Energy: 0.8121618094497209
Energy: 0.7550071089622833
Energy: 0.8121618004434243
Energy: 0.7282167790847602
Energy: 0.823260248548643
Energy: 0.7395706512417745
Energy: 0.8232603366560074
Energy: 0.7970689741466883
Energy: 0.7953731957369691
Energy: 0.7198269302258445
Energy: 0.7953731957138217
Energy: 0.7218265200805872
Energy: 0.6717568205247919
Energy: 0.6555002571278818
Energy: 0.7569198774451436
Energy: 0.7563463239031266
Energy: 0.7737054244475537
Energy: 0.6666062363868945
Energy: 0.773707670357854
Energy: 0.6551674887690613
Energy: 0.7092144312274951
Energy: 0.7067530395712711
Energy: 0.709214509682848
Energy: 0.6991121879406487
Energy: 0.6895512557032679
Energy: 0.6922473717411541
Energy: 0.6895513537428235
Energy: 0.6828598236561048
Energy: 0.7723520961472121
Energy: 0.7273982812815296
Energy: 0.7748377520095339
Energy: 0.90859675699306
Energy: 0.7016533920108764
Energy: 0.6186392297871484
Energy: 0.7017023033341427
Energy: 0.7161728457561997
Energy: 0.7197546158562707
Energy: 0.606788873015865
Energy: 0.7197546219937629
Energy: 0.7044747990095216
Energy: 0.7047719189091857
Energy: 0.6694940715293616
Energy: 0.7047722154560458

minimum gb energy = 0.5026926847666241 eV
minimum distance =  2.35555657196091 Angstroms
sigma value = 25


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

Energy: 0.497662058362267
Energy: 0.7889342098394588
Energy: 0.7785577694703842
Energy: 0.5627762939217794
Energy: 0.6503228833078725
Energy: 0.650786059804934
Energy: 0.6483517526915469
Energy: 0.6507860598064402
Energy: 0.6385606819783649
Energy: 0.662888673894804
Energy: 0.6480364656965583
Energy: 0.6628886738932979
Energy: 0.6374486327690775
Energy: 0.6542957366202481
Energy: 0.5851484954878665
Energy: 0.6542957366202481
Energy: 0.7238390534986274
Energy: 0.753636072229017
Energy: 0.7213240979630888
Energy: 0.7536360722275107
Energy: 0.7322074880515108
Energy: 0.7801381055470415
Energy: 0.7311421436043946
Energy: 0.7801381055470415
Energy: 0.6632452180336196
Energy: 0.7833614904447159
Energy: 0.7418740197763266
Energy: 0.7833614904462222
Energy: 0.7896184884299453
Energy: 0.7850348440299609
Energy: 0.7285472049845779
Energy: 0.7850348440284547
Energy: 0.7850354708624601
Energy: 0.8093943533710335
Energy: 0.7498251458892308
Energy: 0.8093943533710335
Energy: 0.7905815720730792
Energy: 0.80944297089005
Energy: 0.8212987889422031
Energy: 0.8094429708915563
Energy: 0.825754242578909
Energy: 0.8224831672748191
Energy: 0.8224339032784252
Energy: 0.8224831672823505
Energy: 0.8196755606989486
Energy: 0.8176250419892077
Energy: 0.8089076974460433
Energy: 0.8176250419846889
Energy: 0.819569057432115
Energy: 0.819873891202006
Energy: 0.8145738869450037
Energy: 0.8198738912035122
Energy: 0.8196459605246942
Energy: 0.8005818211289387
Energy: 0.7990944207037126
Energy: 0.8005818211289387
Energy: 0.7513168840167136
Energy: 0.8101656370793427
Energy: 0.789981687098822
Energy: 0.810165637074824
Energy: 0.7324098875920444
Energy: 0.8030559096476302
Energy: 0.7885402372568172
Energy: 0.8030559096461239
Energy: 0.7312370016086759
Energy: 0.7604709980476995
Energy: 0.7881832587871789
Energy: 0.7604709980461932
Energy: 0.7400787596325156
Energy: 0.7845599549676477
Energy: 0.7247665657074494
Energy: 0.784559954969154
Energy: 0.7288832125999711
Energy: 0.718100803567684
Energy: 0.6882669145632232
Energy: 0.7181008027772426
Energy: 0.7330221911097117
Energy: 0.6576519373982302
Energy: 0.6484681334676397
Energy: 0.6576519373997365
Energy: 0.5716953969673216
Energy: 0.6653889297831012
Energy: 0.6482139919438868
Energy: 0.6653889297770761
Energy: 0.6999253250017252
Energy: 0.6588814802432956
Energy: 0.6481755090851696
Energy: 0.6588814802432956
Energy: 0.6510774955109164
Energy: 0.6608795854641057
Energy: 0.6797980968018845
Energy: 0.6608795854595869
Energy: 0.6465089990643671
Energy: 0.6636028637541772
Energy: 0.4717262011857736
Energy: 0.6636028637526711
Energy: 0.6467879049761868
Energy: 0.6412272668164652
Energy: 0.6418535722011424
Energy: 0.6412272668194777
Energy: 0.5880657624368814
Energy: 0.6617573173694232
Energy: 0.6469628832868511
Energy: 0.6617573173694232

minimum gb energy = 0.4717262011857736 eV
minimum distance =  2.36589309072275 Angstroms
sigma value = 41


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

Energy: 0.4764138405340015
Energy: 0.7535839860469314
Energy: 0.7347604662081906
Energy: 0.5551387422051942
Energy: 0.5808831896229681
Energy: 0.6780483655680617
Energy: 0.5963753084462823
Energy: 0.6780483655655919
Energy: 0.5843635983472005
Energy: 0.6157851006517986
Energy: 0.6807543588888317
Energy: 0.6157851006517986
Energy: 0.6267829700693136
Energy: 0.633065010516868
Energy: 0.5565882878962551
Energy: 0.6330650105193378
Energy: 0.6912153911095669
Energy: 0.6868390479764799
Energy: 0.6576369072360225
Energy: 0.6868390479764799
Energy: 0.6752342746626898
Energy: 0.7098829611052513
Energy: 0.6885290244669041
Energy: 0.7098829611040164
Energy: 0.5995407596916588
Energy: 0.7134394552827907
Energy: 0.6843632793594768
Energy: 0.7134394552815558
Energy: 0.7282012600180189
Energy: 0.7334179826545464
Energy: 0.7548152071731071
Energy: 0.7334179826533114
Energy: 0.736795406894754
Energy: 0.7435880740067659
Energy: 0.765258653068983
Energy: 0.7435880740055311
Energy: 0.7335768617312496
Energy: 0.743600368940208
Energy: 0.7691265685124498
Energy: 0.7436003689377382
Energy: 0.7650897949640867
Energy: 0.7553237993043416
Energy: 0.7616485570145923
Energy: 0.7553237993055765
Energy: 0.7752944797260579
Energy: 0.765675771522845
Energy: 0.7630975540398414
Energy: 0.7656757715216101
Energy: 0.7780229367023692
Energy: 0.7632653663590113
Energy: 0.7631461268308972
Energy: 0.7632653663602462
Energy: 0.783127590721344
Energy: 0.7619365327517595
Energy: 0.794988304777032
Energy: 0.7619365327529943
Energy: 0.7704321663950919
Energy: 0.7789939342612018
Energy: 0.7699521663383362
Energy: 0.7789939342624367
Energy: 0.782271939038924
Energy: 0.7693183067969865
Energy: 0.7847457473974687
Energy: 0.7693183067969865
Energy: 0.7554544559672148
Energy: 0.7565942724021212
Energy: 0.783151421685496
Energy: 0.756594272404591
Energy: 0.7500574078578137
Energy: 0.7713943689037538
Energy: 0.7293283816423743
Energy: 0.7713943689025191
Energy: 0.7663366366956235
Energy: 0.7594664701520072
Energy: 0.7906545194937459
Energy: 0.7594664701532421
Energy: 0.7524240522349668
Energy: 0.7388008859004448
Energy: 0.743765505918244
Energy: 0.7388008859029145
Energy: 0.658737248857715
Energy: 0.7471387724927262
Energy: 0.7152226111112471
Energy: 0.7471387724915195
Energy: 0.703590216108542
Energy: 0.7373036742000482
Energy: 0.7323319326413023
Energy: 0.7373036742012551
Energy: 0.6984692834561229
Energy: 0.7098964227330872
Energy: 0.7163794261700017
Energy: 0.7098964227306175
Energy: 0.6927746608947453
Energy: 0.7161220033397672
Energy: 0.6145632428292704
Energy: 0.7161220033360626
Energy: 0.6846056389426906
Energy: 0.7064325924273371
Energy: 0.7248895552842999
Energy: 0.7064325924261022
Energy: 0.6931009617361084
Energy: 0.61744386269801
Energy: 0.6261271497899946
Energy: 0.6174438626992449
Energy: 0.6175079308635615
Energy: 0.6073631523301009
Energy: 0.6135925888079508
Energy: 0.6073631523301009
Energy: 0.6575437668350164
Energy: 0.7063100029035593
Energy: 0.5823750248817741
Energy: 0.7063100029035593
Energy: 0.6256410817847724
Energy: 0.6313747377815027
Energy: 0.47057915472807516
Energy: 0.6313747377790329
Energy: 0.6119020485369875
Energy: 0.6148134184218057
Energy: 0.5840277264366605
Energy: 0.6148134184205708
Energy: 0.5813271307792593
Energy: 0.6029487260268209
Energy: 0.5837508828310288
Energy: 0.6029487260292906
Energy: 0.45194805904109886
Energy: 0.642251720377656
Energy: 0.628786363660054
Energy: 0.642251720377656

minimum gb energy = 0.45194805904109886 eV
minimum distance =  2.35484683605479 Angstroms
sigma value = 15


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

Energy: 0.4982550735880702
Energy: 0.7377381534886932
Energy: 0.7659187059263621
Energy: 0.5297160056316077
Energy: 0.574645571633372
Energy: 0.6374872028502062
Energy: 0.645133950433141
Energy: 0.6374872028627596
Energy: 0.5882838627923042
Energy: 0.5985614412413972
Energy: 0.6367878107276421
Energy: 0.5985614412434894
Energy: 0.6124906347939753
Energy: 0.6026319757947237
Energy: 0.5366650068689652
Energy: 0.6026319757947237
Energy: 0.6301475838778706
Energy: 0.6462837769128951
Energy: 0.6323229259171632
Energy: 0.6462837769108027
Energy: 0.6270104874852999
Energy: 0.65940932823496
Energy: 0.6459440649911912
Energy: 0.6594093282454212
Energy: 0.6045291088165934
Energy: 0.6629462261762257
Energy: 0.6525194410477643
Energy: 0.6629462261762257
Energy: 0.6724840492997876
Energy: 0.6828346732828517
Energy: 0.712771128547855
Energy: 0.6828346732849441
Energy: 0.6860171936067536
Energy: 0.6904151864376308
Energy: 0.6314935384093971
Energy: 0.6904151864355387
Energy: 0.6828950200671658
Energy: 0.6895145457517903
Energy: 0.6694972019894511
Energy: 0.6895145457497455
Energy: 0.732670397536101
Energy: 0.7006730714771475
Energy: 0.7067966074876877
Energy: 0.7006730714771475
Energy: 0.6779701595528832
Energy: 0.7089278497389051
Energy: 0.7111247804175651
Energy: 0.708927849737859
Energy: 0.7092523428516296
Energy: 0.7073088565531814
Energy: 0.7140599199280057
Energy: 0.7073088565521353
Energy: 0.7265530695222564
Energy: 0.7144909328884879
Energy: 0.7368113391972174
Energy: 0.7144909328926723
Energy: 0.722504145263802
Energy: 0.726717413901296
Energy: 0.7061265038613618
Energy: 0.726717413901296
Energy: 0.7274800679355928
Energy: 0.7193080765546447
Energy: 0.7260632974742441
Energy: 0.7193080765556908
Energy: 0.7370502360280871
Energy: 0.7214618271103644
Energy: 0.7328920807673148
Energy: 0.7214618271093182
Energy: 0.7260075297660763
Energy: 0.7349522526985125
Energy: 0.7276158928253285
Energy: 0.7349522526985125
Energy: 0.7431570677947316
Energy: 0.7221645821292688
Energy: 0.727706705340937
Energy: 0.7221645821292688
Energy: 0.7296694051785211
Energy: 0.7178323691819176
Energy: 0.7266676377269304
Energy: 0.7178323691798254
Energy: 0.7035188363265352
Energy: 0.7280291266024874
Energy: 0.7247547315177674
Energy: 0.7280291266035336
Energy: 0.7461642780743396
Energy: 0.7153350397239265
Energy: 0.7331175093309449
Energy: 0.7153350397249725
Energy: 0.7068767558272431
Energy: 0.7068668174342754
Energy: 0.7100345747476476
Energy: 0.7068668174353216
Energy: 0.7111375297413834
Energy: 0.709926981085515
Energy: 0.6904586104729429
Energy: 0.709926981086561
Energy: 0.7079437702238663
Energy: 0.7004437014709151
Energy: 0.7409220474210789
Energy: 0.700443701471961
Energy: 0.690858382766987
Energy: 0.6892836442767288
Energy: 0.6877257932874676
Energy: 0.6892836442756827
Energy: 0.6415908510041277
Energy: 0.6906023453638878
Energy: 0.6863100393376046
Energy: 0.6906023453649338
Energy: 0.7439067404527292
Energy: 0.6811563864473797
Energy: 0.6748968367532788
Energy: 0.6811563864484259
Energy: 0.652788360147115
Energy: 0.6625218926193068
Energy: 0.5943986410646938
Energy: 0.6625218926151224
Energy: 0.6465701732536839
Energy: 0.6596837262321542
Energy: 0.6424753196963695
Energy: 0.6596837262457538
Energy: 0.6337787072913643
Energy: 0.6820588094741986
Energy: 0.6733836973777554
Energy: 0.6820588094773368
Energy: 0.5575968613065545
Energy: 0.6012039088974978
Energy: 0.6107595439867347
Energy: 0.6012039088964516
Energy: 0.6371222696664552
Energy: 0.5988921534494193
Energy: 0.5889071495251512
Energy: 0.5988921534515115
Energy: 0.6397967258210671
Energy: 0.657228643248505
Energy: 0.5738030475090127
Energy: 0.6572286432474591
Energy: 0.7327190119336147
Energy: 0.7075678207717891
Energy: 0.475605059832488
Energy: 0.7075678207749275
Energy: 0.5879151686533589
Energy: 0.5840925474398705
Energy: 0.5963185100078148
Energy: 0.5840925474430088
Energy: 0.6044080852511846
Energy: 0.5837281534362843
Energy: 0.5895802775546543
Energy: 0.5837281534404687

minimum gb energy = 0.475605059832488 eV
minimum distance =  2.35844010566356 Angstroms
sigma value = 85


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

Energy: 0.33931087465728427
Energy: 0.5234851753572394
Energy: 0.5216752850650188
Energy: 0.41533275673156855
Energy: 0.4298023963669385
Energy: 0.5173276944656149
Energy: 0.48751681992859813
Energy: 0.5173276944665222
Energy: 0.4243424506705494
Energy: 0.42763222377067117
Energy: 0.46722787576356467
Energy: 0.42763222377157856
Energy: 0.42458900174948844
Energy: 0.41869412237749587
Energy: 0.43850061889967634
Energy: 0.41869412237840314
Energy: 0.5494779263917897
Energy: 0.5554813286831646
Energy: 0.474500697000926
Energy: 0.5554813286822572
Energy: 0.5210348238348742
Energy: 0.5366847774756731
Energy: 0.48498306489012794
Energy: 0.5366847774756731
Energy: 0.44146643132615193
Energy: 0.5415817571814604
Energy: 0.4899056311213132
Energy: 0.5415817571832751
Energy: 0.5407224966488955
Energy: 0.551993582974797
Energy: 0.540626898822003
Energy: 0.5519935829757043
Energy: 0.5409154391277644
Energy: 0.5757410385246876
Energy: 0.4974840175958695
Energy: 0.5757410385237802
Energy: 0.539848335121935
Energy: 0.5766180459094465
Energy: 0.5807082537191641
Energy: 0.5766180459094465
Energy: 0.5524991850145224
Energy: 0.5881799039477821
Energy: 0.5850668108269161
Energy: 0.5881799039477821
Energy: 0.5496011984550105
Energy: 0.609126317527363
Energy: 0.580058732641091
Energy: 0.609126317527363
Energy: 0.6038373967704724
Energy: 0.6028428174526194
Energy: 0.5967523725750288
Energy: 0.6028428174526194
Energy: 0.6153953203657131
Energy: 0.6115707571295512
Energy: 0.6219161670916021
Energy: 0.6115707571295512
Energy: 0.6226666601444512
Energy: 0.6300335573133584
Energy: 0.5742276656221403
Energy: 0.6300335573133584
Energy: 0.6279019505792452
Energy: 0.6187074339567732
Energy: 0.616960290672135
Energy: 0.6187074339549585
Energy: 0.6330091389667878
Energy: 0.6274856247107947
Energy: 0.6309164322992539
Energy: 0.6274856247135167
Energy: 0.6142808998959217
Energy: 0.643075513256631
Energy: 0.6270262366460798
Energy: 0.6430755132557238
Energy: 0.633061092604194
Energy: 0.6281986517069147
Energy: 0.6349960538710958
Energy: 0.6281986517051001
Energy: 0.620620170129103
Energy: 0.6337372976484595
Energy: 0.6351507395856496
Energy: 0.6337372976502741
Energy: 0.6322785646612898
Energy: 0.6480492820318303
Energy: 0.6254516769094085
Energy: 0.6480492820300157
Energy: 0.6453498883037488
Energy: 0.6282389109044099
Energy: 0.6304845712402628
Energy: 0.6282389109035026
Energy: 0.6329145980381834
Energy: 0.6331026105553986
Energy: 0.6067078306186089
Energy: 0.633102610556306
Energy: 0.6146715215282501
Energy: 0.6391250726262152
Energy: 0.6278500399115592
Energy: 0.6391250726271226
Energy: 0.632628154743242
Energy: 0.6191840290067003
Energy: 0.6410109818024659
Energy: 0.6191840290076076
Energy: 0.617070355350739
Energy: 0.6258330829980715
Energy: 0.6309226337220585
Energy: 0.6258330829971642
Energy: 0.594963249147974
Energy: 0.6263404326808741
Energy: 0.6011738072512637
Energy: 0.6263404326808741
Energy: 0.6003286998355863
Energy: 0.6023722114999746
Energy: 0.6079323642968874
Energy: 0.6023722114990673
Energy: 0.579413746686359
Energy: 0.6081594125633956
Energy: 0.6087153742957033
Energy: 0.6081594125633956
Energy: 0.5837305549652794
Energy: 0.6033271585576218
Energy: 0.5480479604139303
Energy: 0.6033271585567145
Energy: 0.5822281735570368
Energy: 0.55845278425067
Energy: 0.5616881058003944
Energy: 0.55845278425067
Energy: 0.50230749827151
Energy: 0.5796516072554306
Energy: 0.5410632227006698
Energy: 0.5796516072554306
Energy: 0.5900316100507716
Energy: 0.5698160315514267
Energy: 0.5281469384473587
Energy: 0.569816031552334
Energy: 0.5285657605310974
Energy: 0.49851273480882125
Energy: 0.540795408978396
Energy: 0.49851273481063574
Energy: 0.49223746667216045
Energy: 0.544115819126722
Energy: 0.474600417032683
Energy: 0.5441158191258146
Energy: 0.487843094046203
Energy: 0.5319235944348238
Energy: 0.5415213450412375
Energy: 0.5319235944348238
Energy: 0.4981660048190954
Energy: 0.49749054638745793
Energy: 0.5539837273681194
Energy: 0.4974905463892724
Energy: 0.40397930612896177
Energy: 0.4215459512616078
Energy: 0.42433872671200257
Energy: 0.4215459512607006
Energy: 0.48390136255787003
Energy: 0.4339125068507086
Energy: 0.42685362559581175
Energy: 0.4339125068525232
Energy: 0.4889846197436398
Energy: 0.5334147036691342
Energy: 0.47782207493894113
Energy: 0.5334147036691342
Energy: 0.4219737589179428
Energy: 0.41788271092250373
Energy: 0.47604419603969883
Energy: 0.4178827109215964
Energy: 0.4266573273651154
Energy: 0.4954294521861917
Energy: 0.4263696118780691
Energy: 0.49542945218709905
Energy: 0.454030634578258
Energy: 0.41700386001655704
Energy: 0.42724219158996485
Energy: 0.41700386001564976

minimum gb energy = 0.33931087465728427 eV
minimum distance =  2.34789649056887 Angstroms
sigma value = 113


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

Energy: 0.013312883101912205
Energy: 0.13908879011703132
Energy: 0.895570984439453
Energy: 0.013919153796558396
Energy: 0.030142178937612025
Energy: 0.14616912488817957
Energy: 0.030854093069361353
Energy: 0.1461691248902139
Energy: 0.0317322035746034
Energy: 0.14414285071982866
Energy: 0.021743937481190558
Energy: 0.14414285072050678
Energy: 0.03854060659182093
Energy: 0.1398217873302797
Energy: 0.014390012783577811
Energy: 0.1398217873316553
Energy: 0.030046050273010605
Energy: 0.1392178770233766
Energy: 0.03006227856220886
Energy: 0.13921787702610838
Energy: 0.0200694320054725
Energy: 0.14247196521414904
Energy: 0.03255218489168028
Energy: 0.14247196521414904

minimum gb energy = 0.013312883101912205 eV
minimum distance =  2.47145898841458 Angstroms
sigma value = 1