Model name: model_name=EAM_Dynamo_AcklandBaconCalder_1997_Fe__MO_142799717516_005
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=3.680044695734978
cohesive_energy=4.26217454226904
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, 1.73430814100598e-20, 1.196907656606334e-19, 2.13440369004846e-19, 2.9277374721399e-19, 3.6055062536209193e-19, 4.1745513287186997e-19, 4.64802656759838e-19, 5.0418095407029e-19, 5.37094468662552e-19, 5.64698369889738e-19, 5.8787866143045e-19, 6.0733709665038e-19, 6.23628028664892e-19, 6.37204873461408e-19, 6.484457447255519e-19, 6.57664669077588e-19, 6.6511959695559e-19, 6.71026822205148e-19, 6.755705951391721e-19, 6.78904724714526e-19, 6.81154180708662e-19, 6.8242310460279e-19, 6.82822046584656e-19, 6.824134915429859e-19, 6.81139761118956e-19, 6.789159399509639e-19, 6.7564589744097e-19, 6.712206855778619e-19, 6.6551213023092e-19, 6.58323163674162e-19, 6.4922600474631e-19, 6.37647074212392e-19, 6.22826940347892e-19, 6.0388440600410995e-19, 5.798998217931299e-19, 5.4971481400857e-19, 5.115413535268859e-19, 4.63040262462438e-19, 4.012651379853e-19, 3.2248931724478797e-19, 2.220616814724e-19, 9.48349177960842e-20, -6.48551488383396e-20, -2.64363951139902e-19, -5.136562266837659e-19, -8.273207550284819e-19, -1.2218375250313738e-18, -1.7378809948998e-18, -2.44197353847744e-18, -3.4398732331979996e-18, -4.9063455062982e-18, -7.1807954559246e-18, -1.109734828127028e-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: 0.015861443541859376
Energy: 0.017371498956140808
Energy: 0.016136068076862818
Energy: 0.016138178864660294
Energy: 0.8564378053946695
Energy: 0.016375817372002055
Energy: 0.017371498955838192
Energy: 0.12671429648322774
Energy: 0.12670608735575548
Energy: 0.1267437462740871
Energy: 0.12681593490787307
Energy: 0.12659413195777888
Energy: 0.016136068077737053
Energy: 0.12670608735518388
Energy: 0.12651465940533785
Energy: 0.01643666556852989
Energy: 0.126820728004899
Energy: 0.12639130179504401
Energy: 0.01613817886556815
Energy: 0.12674374627348184
Energy: 0.016436665567924648
Energy: 0.016110190859291395
Energy: 0.12658027581359707
Energy: 0.016427904257894057
Energy: 0.8564378053955773
Energy: 0.12681593490582196
Energy: 0.126820728004899
Energy: 0.126580275811546
Energy: 0.1268857597690085
Energy: 0.12670761581468268
Energy: 0.016375817372304678
Energy: 0.1265941319575099
Energy: 0.1263913017962545
Energy: 0.016427904257894057
Energy: 0.12670761581525428
Energy: 0.01601856889384088

minimum gb energy = 0.015861443541859376 eV
minimum distance =  2.60048952476471 Angstroms
sigma value = 1


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

Energy: 1.8803774016549992
Energy: 0.941178102464309
Energy: 1.02584037805728
Energy: 0.9610533321542228
Energy: 1.0016304839693937
Energy: 1.0250395264482242
Energy: 1.7771149805220212
Energy: 0.90323235739256
Energy: 0.8905311267812349
Energy: 0.9183837230326791
Energy: 0.9427434966478467
Energy: 0.9064094035677429
Energy: 1.8838293057524034
Energy: 0.8877722414398656
Energy: 0.91143682723327
Energy: 0.9653680146831305
Energy: 0.9433777204989302
Energy: 0.9118959417685972
Energy: 1.8813448511017306
Energy: 0.856647874845075
Energy: 0.9143954022616092
Energy: 0.9118265713104993
Energy: 0.8564521022055074
Energy: 0.9123579881434221
Energy: 1.8044070195972182
Energy: 0.9444936578960104
Energy: 0.924102124087017
Energy: 0.919615237093341
Energy: 0.9426820665869442
Energy: 0.9215172612842043
Energy: 1.6685865478296278
Energy: 0.9639995138796518
Energy: 0.9672847573389872
Energy: 0.9623402296339763
Energy: 0.9420992035741969
Energy: 0.9607419702575393
Energy: 1.6679459216034187
Energy: 0.966114567570389
Energy: 0.9635812986779101
Energy: 0.9627239833790228
Energy: 0.9474348951645384
Energy: 0.9604248741744567
Energy: 1.6654945077352867
Energy: 0.9644741292516592
Energy: 0.9644925379756796
Energy: 0.9477879329132504
Energy: 0.96432094850212
Energy: 0.9623258718088953
Energy: 1.2357816812119091
Energy: 0.9609652617760581
Energy: 0.9638441039315518
Energy: 0.9428137518664249
Energy: 0.9604543842731739
Energy: 0.9629757786881198
Energy: 1.2310492585428634
Energy: 0.9185486023174768
Energy: 0.9199543539656045
Energy: 0.9438410643590672
Energy: 0.91855364666302
Energy: 0.9244675672259051
Energy: 1.1693567651340842
Energy: 0.9418156557025965
Energy: 0.9451532866593372
Energy: 0.8693150804757097
Energy: 0.950191904564019
Energy: 0.9070445933120459
Energy: 0.9432651315868757
Energy: 0.9083498821872027
Energy: 0.911405524814694
Energy: 0.9440420302301974
Energy: 0.9636315659269721
Energy: 0.9117947221635085
Energy: 0.94137555784944
Energy: 0.9049484114261521
Energy: 0.9054036422354116
Energy: 0.9414364234475013
Energy: 0.9070512315044745
Energy: 0.9079088414237566
Energy: 0.9451860795587649
Energy: 0.956006192733903
Energy: 0.9344459692778512
Energy: 0.9043991271319782
Energy: 0.9477887270492369
Energy: 0.8911605253100735
Energy: 1.0318375798468924
Energy: 0.9182920907007863
Energy: 0.9185735143552833
Energy: 0.9332434896875074
Energy: 0.9192919081757116
Energy: 0.9188413917482389
Energy: 1.0320235109361369
Energy: 0.966617768709583
Energy: 0.9668705075169564
Energy: 0.932171092828763
Energy: 0.9642995380545578
Energy: 0.9688221757032003
Energy: 1.4789792389742114
Energy: 0.9637658988828954
Energy: 0.964819305332448
Energy: 0.8851172349388402
Energy: 0.9633661545305644
Energy: 0.9694896933550025
Energy: 1.4502703789359923
Energy: 0.9733682807609533
Energy: 0.9677800573256274
Energy: 0.9663436594810417
Energy: 0.970495615981267
Energy: 0.9696912522160891
Energy: 1.448791278918771
Energy: 0.9668070712843179
Energy: 0.9671848586774168
Energy: 0.9665740711732123
Energy: 0.9665930966974319
Energy: 0.9694153012952954
Energy: 1.7532861282487033
Energy: 0.9692210887263331
Energy: 0.97070679607361
Energy: 0.9644655859812478
Energy: 0.9670336299165774
Energy: 0.9690742851597521
Energy: 1.7721560104680194
Energy: 0.8925338566684735
Energy: 0.9592355104485786
Energy: 0.9568253474520406
Energy: 0.8904133999245109
Energy: 0.9581863686158089
Energy: 1.7773544077396457
Energy: 0.8849156809284605
Energy: 0.9707395757966826
Energy: 0.9584783917523664
Energy: 0.9334016134150743
Energy: 0.9681815356368252
Energy: 1.7778785300097504
Energy: 0.9130628437798228
Energy: 0.9094267118599255
Energy: 0.8762258572635704
Energy: 0.9122375146227641
Energy: 0.9064113042449984

minimum gb energy = 0.8564521022055074 eV
minimum distance =  2.37347600131335 Angstroms
sigma value = 33


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

Energy: 2.4205761923041016
Energy: 1.1894514366717277
Energy: 1.0854182229877123
Energy: 1.0283064757780922
Energy: 0.9994662766211603
Energy: 1.232485448656487
Energy: 1.98248280256701
Energy: 0.9901055629676683
Energy: 0.9792554383163082
Energy: 1.0088426029701163
Energy: 0.9467714541475893
Energy: 1.010375380087228
Energy: 1.867070321405191
Energy: 0.9464483103587246
Energy: 0.9563790024991515
Energy: 1.0949797579939484
Energy: 0.9471190437384934
Energy: 1.0109501113068449
Energy: 1.8640636364564984
Energy: 1.069570580098777
Energy: 1.0037857324925694
Energy: 1.0896872543432439
Energy: 1.0007665402283517
Energy: 1.0593242452920903
Energy: 1.9149887318281817
Energy: 1.0853228977423894
Energy: 1.048132347465056
Energy: 1.022961807304281
Energy: 1.0268850191747836
Energy: 1.109520028965293
Energy: 1.7492879919338797
Energy: 1.099880534503407
Energy: 1.1136599285179607
Energy: 1.1184591912362158
Energy: 1.1079753278197413
Energy: 1.1182398029797693
Energy: 1.7483821756419011
Energy: 1.095337299276463
Energy: 1.0964452178361828
Energy: 1.095029199316421
Energy: 1.0899235690436595
Energy: 1.0952556005241256
Energy: 1.7574341214145934
Energy: 1.0945006132424815
Energy: 1.0810822224548342
Energy: 1.1132556456467926
Energy: 1.086166097478965
Energy: 1.0884064317996427
Energy: 1.3659089091271168
Energy: 1.0782499687941958
Energy: 1.1007225801681053
Energy: 1.1150788785399597
Energy: 1.0455871844750058
Energy: 1.1055704680990692
Energy: 1.3584737294917315
Energy: 1.0853796877532855
Energy: 1.0779994140494988
Energy: 1.0964604639862097
Energy: 1.0980233884592832
Energy: 1.0812227474667484
Energy: 1.2391006609773723
Energy: 1.0364970438116048
Energy: 1.0386791536151547
Energy: 1.0337676338107649
Energy: 1.0380583319040468
Energy: 1.0394203933817028
Energy: 1.0952032138148962
Energy: 1.0464756747748327
Energy: 1.0892772435917575
Energy: 1.056670299729639
Energy: 1.028237681437007
Energy: 1.0864048970535412
Energy: 1.0970461901201376
Energy: 1.1064551744955997
Energy: 1.0955394166562133
Energy: 1.0867266784777225
Energy: 1.1048698567777433
Energy: 1.0989113978319038
Energy: 1.3098452808632124
Energy: 1.0515596362217774
Energy: 1.052748446698158
Energy: 1.0914578193612596
Energy: 1.0682676327191276
Energy: 1.0576736302810843
Energy: 1.2644828927284202
Energy: 1.1130466567727684
Energy: 1.1109132260826244
Energy: 1.1023244364155562
Energy: 1.113142676021653
Energy: 1.1046474428288353
Energy: 1.2714792300604227
Energy: 1.104995223584979
Energy: 1.1305890148116933
Energy: 1.0900173195975151
Energy: 1.1073141468901218
Energy: 1.1304866208023663
Energy: 1.67005178605608
Energy: 1.1074705230052042
Energy: 1.097855554410521
Energy: 1.0593233823573618
Energy: 1.1063313586807415
Energy: 1.098256765387613
Energy: 1.6116426728291788
Energy: 1.1128543520032594
Energy: 1.1098832531731733
Energy: 1.079632589246653
Energy: 1.1193924231498704
Energy: 1.085156745818333
Energy: 1.6103575312058458
Energy: 1.157716965777628
Energy: 1.1088443167190947
Energy: 1.078905718959254
Energy: 1.1181947938775223
Energy: 1.1072847536760628
Energy: 1.9231244302318244
Energy: 1.0977832378411958
Energy: 1.099707204766762
Energy: 1.1162180471732934
Energy: 1.1067770176185496
Energy: 1.1213547808547044
Energy: 2.0012428516358356
Energy: 1.0620030098275928
Energy: 1.0611000660783345
Energy: 1.0993077650687948
Energy: 1.0333630000847343
Energy: 1.0617664843505379
Energy: 1.9897490273945766
Energy: 1.034350752256079
Energy: 1.0614688843779332
Energy: 1.1145650587178266
Energy: 1.0319822978041382
Energy: 1.1151442987427092
Energy: 1.7698748605924925
Energy: 1.0794792613894604
Energy: 1.109866976210606
Energy: 1.0981268878219308
Energy: 1.0791225997828542
Energy: 1.1053028484055265
Energy: 1.8640179528476197
Energy: 1.2308715618534736
Energy: 1.2302747287315068
Energy: 1.0895670453216306
Energy: 1.238990390197865
Energy: 1.0368754175096937
Energy: 1.765847565446459
Energy: 1.0866655753410306
Energy: 1.1011884289422498
Energy: 1.1050143639896728
Energy: 1.0868290076411713
Energy: 1.0988061084898952
Energy: 1.755845802564733
Energy: 1.0818191147957799
Energy: 1.1328379319849928
Energy: 1.1179272812953163
Energy: 1.0844841336102247
Energy: 1.1378723227684253
Energy: 1.7537821958602002
Energy: 1.1274809898413942
Energy: 1.138972635949431
Energy: 1.1219874807468193
Energy: 1.1020882256441111
Energy: 1.1097865048622704
Energy: 1.7266714645071755
Energy: 1.0845097256177418
Energy: 1.0820442836931397
Energy: 1.13305422841749
Energy: 1.0574668747079448
Energy: 1.109422743366761
Energy: 1.35748753932793
Energy: 1.0845681149061763
Energy: 1.0886116667797263
Energy: 1.154004766996302
Energy: 1.0853554004258854
Energy: 1.112414855200976
Energy: 1.3271509945162
Energy: 1.0859362629646203
Energy: 1.0894126915923679
Energy: 1.1280208590349878
Energy: 1.087553552954818
Energy: 1.0870913645441267
Energy: 1.4338040833662555
Energy: 1.0457260471973937
Energy: 1.0446448188745656
Energy: 1.066675452687068
Energy: 1.0453942280446864
Energy: 1.0384558239445185
Energy: 1.1275753725415028
Energy: 1.0441471889663876
Energy: 1.0448244555198412
Energy: 1.0532323462974558
Energy: 1.0469914366244606
Energy: 1.0786906335732918
Energy: 1.1271959235885687
Energy: 1.1044183354413326
Energy: 1.1001329540078828
Energy: 1.061182789370086
Energy: 1.1202843299267913
Energy: 1.1006747095387557
Energy: 1.1333862132708223
Energy: 1.072845099612799
Energy: 1.054320680494914
Energy: 1.072730526551579
Energy: 1.078281803451542
Energy: 1.0294522200936336
Energy: 1.2647942298380155
Energy: 1.106545414416113
Energy: 1.1055060979707099
Energy: 1.0820648254842125
Energy: 1.108404281203677
Energy: 1.1064790512230391
Energy: 1.2675419721868992
Energy: 1.1137586998947597
Energy: 1.1332827428201417
Energy: 1.103829716029341
Energy: 1.1245531688142218
Energy: 1.1233303301809734
Energy: 1.5960444426951068
Energy: 1.1404307732827363
Energy: 0.9950932460807631
Energy: 1.0009882474790013
Energy: 1.00846392381734
Energy: 1.1431245602117541
Energy: 1.6100688832280199
Energy: 1.1044816755576874
Energy: 1.0325830450576101
Energy: 1.0782876763191396
Energy: 1.0342527408908953
Energy: 1.1214278647695093
Energy: 1.6115963698853981
Energy: 0.9887674805656544
Energy: 0.9859711509159387
Energy: 1.087119458280625
Energy: 0.9830118433147504
Energy: 1.0828492341884906
Energy: 1.9103823942670906
Energy: 1.0443739269647643
Energy: 1.0076042215279086
Energy: 1.0045617638866682
Energy: 0.9857140619188143
Energy: 1.0228065435425409
Energy: 1.9755993999123187
Energy: 0.9941656476066046
Energy: 1.0142111108848362
Energy: 1.0060253256435714
Energy: 0.9785095495832898
Energy: 1.0527316359791234

minimum gb energy = 0.9464483103587246 eV
minimum distance =  2.34261081245872 Angstroms
sigma value = 51


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

Energy: 1.928105235054918
Energy: 1.1853750660141014
Energy: 1.4712603082281892
Energy: 0.9619661544302707
Energy: 1.0903905594404593
Energy: 0.9534825720497858
Energy: 1.7174970773669513
Energy: 1.0165263217413147
Energy: 0.9852955315733529
Energy: 0.981471182110479
Energy: 1.0076609883671306
Energy: 0.9861944452340988
Energy: 1.6915616030823628
Energy: 1.0084298055738565
Energy: 0.9733743956644629
Energy: 0.94878180276316
Energy: 1.0070572566989398
Energy: 0.9731455793007726
Energy: 1.6916640562707226
Energy: 0.9726884385554369
Energy: 0.9722823322756978
Energy: 0.9858053164804106
Energy: 0.9724433161364924
Energy: 0.9860822723625721
Energy: 1.7084665445552176
Energy: 1.0438474540728955
Energy: 1.008354776355377
Energy: 0.9825095915092976
Energy: 0.983133568400965
Energy: 0.9808282661483925
Energy: 1.393524910223006
Energy: 0.9489127671711912
Energy: 0.9500555981976678
Energy: 0.9461940317115138
Energy: 0.9461806628999839
Energy: 0.9528733290886723
Energy: 1.393365042849616
Energy: 0.9517057485690876
Energy: 0.9517646903045935
Energy: 0.9462354427572088
Energy: 0.9812946477387964
Energy: 0.953188284511471
Energy: 1.586581227837946
Energy: 1.0160354139380647
Energy: 1.0126424086737222
Energy: 0.9888903532537208
Energy: 1.0236215574272707
Energy: 1.0101542769942715
Energy: 1.008738332857586
Energy: 1.0482603588996648
Energy: 1.074420149436425
Energy: 1.0081565681199314
Energy: 1.0179890159475415
Energy: 0.9725705396994203
Energy: 1.0079924673254954
Energy: 0.9493211674072481
Energy: 1.0145340308504553
Energy: 1.008218395145333
Energy: 0.9808196749710071
Energy: 0.986716375213165
Energy: 1.0086075554658829
Energy: 0.9972010233421417
Energy: 0.9968566301140834
Energy: 1.0077810498670303
Energy: 0.9902904556850278
Energy: 0.996863509135165
Energy: 1.1627956913294846
Energy: 0.9489358920470299
Energy: 1.0146058701982
Energy: 1.0094266613173106
Energy: 1.0151728824937147
Energy: 0.9939907456702949
Energy: 1.1189078589164467
Energy: 1.0763309938569585
Energy: 1.0785833124787754
Energy: 1.0094173735524496
Energy: 1.0231438507429331
Energy: 1.0050049827830894
Energy: 1.1209657453071005
Energy: 1.0090615892284833
Energy: 0.9848852707005504
Energy: 0.9957735217221968
Energy: 0.9840304685324878
Energy: 1.0104768507154378
Energy: 1.534615170072886
Energy: 0.96237617202958
Energy: 0.9618947085616446
Energy: 0.9449232935006728
Energy: 0.9617511770923435
Energy: 1.0763724114527644
Energy: 1.5357992790631476
Energy: 1.0137799571410109
Energy: 0.9888062377294189
Energy: 0.9450962819352194
Energy: 1.0106752508092887
Energy: 0.9454701528536759
Energy: 1.731168802217047
Energy: 1.011428686234642
Energy: 0.9633632747870879
Energy: 0.9802648866692586
Energy: 1.009449974838878
Energy: 0.9869806025340336
Energy: 1.8471559929014922
Energy: 0.9946594818588593
Energy: 0.9511372627541275
Energy: 1.022777504233032
Energy: 0.9941183943168177
Energy: 0.950735538180034

minimum gb energy = 0.9449232935006728 eV
minimum distance =  2.38552325777709 Angstroms
sigma value = 19


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

Energy: 1.6397799999003015
Energy: 1.015181991663515
Energy: 1.0156028836165474
Energy: 1.0158477002360045
Energy: 0.9721040507910864
Energy: 1.016324141889116
Energy: 1.7113207525258187
Energy: 0.9719037631695197
Energy: 0.9719858774166237
Energy: 1.0508630990660872
Energy: 0.9719159989457625
Energy: 0.9715723704675002
Energy: 1.702436508848817
Energy: 0.972751416080815
Energy: 0.9725280115281706
Energy: 0.9549416065289971
Energy: 0.9725729829379253
Energy: 1.0627941805182
Energy: 1.3112766523403936
Energy: 1.062005038181403
Energy: 1.0133212724283112
Energy: 1.105966150076045
Energy: 0.9712234048345185
Energy: 1.011843145710642
Energy: 1.7024350118692986
Energy: 1.0617283339626475
Energy: 1.0131724730519724
Energy: 0.9548847224595571
Energy: 0.9717898682770824
Energy: 1.012898607091034
Energy: 1.2876580817209577
Energy: 0.9597991044848753
Energy: 1.0138167699116662
Energy: 1.0622832608919182
Energy: 0.9588724585689441
Energy: 1.0120909410243635
Energy: 1.2876815714777534
Energy: 0.9548280270131695
Energy: 1.0135924658557092
Energy: 1.0619940620843882
Energy: 0.9551771075876715
Energy: 1.011443793106171
Energy: 1.1019270743112206
Energy: 1.0977012977145442
Energy: 1.0972903165512657
Energy: 0.9719837245430268
Energy: 1.0969389450977305
Energy: 0.9604376014490622
Energy: 0.9718021227355261
Energy: 1.0967699480062847
Energy: 1.0968849988649616
Energy: 0.9720398299247905
Energy: 1.0967817498374623
Energy: 0.9623818474374897
Energy: 0.9723616351767085
Energy: 0.9543261224544556
Energy: 1.011805832932985
Energy: 0.9722952597998265
Energy: 0.9546079042595048
Energy: 0.9721123269060808
Energy: 0.9705927840987946
Energy: 1.1042820741073924
Energy: 1.1046130584173586
Energy: 0.9704909453665487
Energy: 1.104397489466729
Energy: 1.011926585741887
Energy: 1.3796238649861539
Energy: 0.9547562266884527
Energy: 0.9556240295267104
Energy: 0.9720398781039665
Energy: 0.9550307273784382
Energy: 0.9717740951662062
Energy: 0.9602922513974366
Energy: 1.0616923654771844
Energy: 1.0615674622307332
Energy: 0.9632657366685607
Energy: 1.061741971686825
Energy: 1.012668749123517
Energy: 1.3795853099199813
Energy: 1.0632593012246545
Energy: 1.0631682217523428
Energy: 0.9544746192634596
Energy: 1.0629033263135388
Energy: 1.0645148706128138
Energy: 1.617057734267152
Energy: 0.9717339945423358
Energy: 0.971402726568079
Energy: 1.0971364669511259
Energy: 0.9719355126114159
Energy: 1.046710009377226
Energy: 1.6178699171623225
Energy: 0.9718987515925235
Energy: 0.9604623714712451
Energy: 1.097283963180877
Energy: 0.9713039317345544
Energy: 1.0972200725398502
Energy: 1.7024774578631958
Energy: 0.9719038136038497
Energy: 0.971944670221493
Energy: 0.9541934153154614
Energy: 0.9726110150558349
Energy: 0.9718303540702902
Energy: 1.300042322406891
Energy: 0.9722079537102165
Energy: 1.0616384868435156
Energy: 1.1053567647714062
Energy: 0.9720768702615639
Energy: 0.9718692499413742
Energy: 1.300949353201043
Energy: 0.9722137321970444
Energy: 0.9728833482011552
Energy: 1.1052446667950115
Energy: 0.9721756832183477
Energy: 0.9723872872625964
Energy: 1.2875923958361835
Energy: 0.9597315969057323
Energy: 1.0135746945809128
Energy: 0.9542854042697254
Energy: 0.9588596214055864
Energy: 1.0139222262525565
Energy: 1.29715798471838
Energy: 1.0124629175229303
Energy: 1.0127104787551813
Energy: 1.0627699847267027
Energy: 0.9711010507018991
Energy: 1.063243284118586
Energy: 1.2875816008846865
Energy: 1.051140852246436
Energy: 1.0616427725532158
Energy: 1.0627844391803458
Energy: 0.9546889117139354
Energy: 1.0617039762685094
Energy: 0.9547964983562781
Energy: 1.0970023795352375
Energy: 1.0980449919721493
Energy: 0.9549221241965381
Energy: 1.0972658806601625
Energy: 1.0472684800395036
Energy: 0.9719596187593679
Energy: 1.1141810458249803
Energy: 1.0616345962993938
Energy: 0.9719199170743076
Energy: 1.0968289268251037
Energy: 0.9719290174276477
Energy: 0.9727928260452656
Energy: 1.0135547886019045
Energy: 1.0121404125105444
Energy: 0.9724914930314055
Energy: 0.9549598556260414
Energy: 0.9724302939232007
Energy: 1.1004448699598044
Energy: 1.1057664780647107
Energy: 1.1054781762139105
Energy: 0.9718860577725555
Energy: 1.1059533201699479
Energy: 1.0119187476411229
Energy: 1.3803107801142824
Energy: 0.9542732443391087
Energy: 0.9546366220683105
Energy: 0.9715333757847934
Energy: 0.9548046015763182
Energy: 1.0129393184459539
Energy: 0.9589491705792521
Energy: 1.0621124889083997
Energy: 1.0628992752402906
Energy: 0.9589742274133899
Energy: 1.0620989365644713
Energy: 1.0138495638094291
Energy: 0.9711698767117116
Energy: 1.062288862572235
Energy: 1.062284763760928
Energy: 0.9549209619884724
Energy: 1.0619032740658567
Energy: 1.0137819216958066
Energy: 1.618256114948894
Energy: 0.9718050291741369
Energy: 0.9601737327395915
Energy: 1.0971745029208
Energy: 0.9714400808015375
Energy: 0.9609068469216862

minimum gb energy = 0.9541934153154614 eV
minimum distance =  2.41579661526033 Angstroms
sigma value = 27


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

Energy: 1.3746912428880569
Energy: 1.0218817775880236
Energy: 1.0226071641110366
Energy: 1.0377660976569558
Energy: 0.9211460814009778
Energy: 1.707516899740541
Energy: 0.9429291436313894
Energy: 0.9264263698343201
Energy: 0.9246182748312253
Energy: 0.9235360453242443
Energy: 0.9769292393802643
Energy: 0.9246981223366509
Energy: 1.6895198792412318
Energy: 0.9499280971122098
Energy: 0.9459504101011892
Energy: 0.9255177796548492
Energy: 0.9920359566258864
Energy: 0.9265480369426213
Energy: 1.4890139346609763
Energy: 0.9276863561245273
Energy: 0.9296823279841268
Energy: 0.9337471117036124
Energy: 0.9277264283976997
Energy: 0.9197861140905594
Energy: 1.2616769798358567
Energy: 0.9109825045868062
Energy: 0.9332136212306736
Energy: 0.9188019168518566
Energy: 0.9213249875325372
Energy: 0.9339294090845291
Energy: 1.0832942473666776
Energy: 0.9002851671269555
Energy: 0.9613069102557763
Energy: 1.0807475610436086
Energy: 0.8997774158617702
Energy: 0.9129177067089274
Energy: 0.9863600877332885
Energy: 0.9330616416386036
Energy: 0.9331875118482583
Energy: 0.9856015574806324
Energy: 0.9330211053943736
Energy: 0.9325711007630786
Energy: 1.2568545895171324
Energy: 0.9649391888903337
Energy: 0.9651084384425022
Energy: 1.2557044917665399
Energy: 0.9647256637921031
Energy: 0.9254679489117186
Energy: 1.220973414479872
Energy: 0.9334295974303611
Energy: 0.9342410166898075
Energy: 0.9475683059526843
Energy: 0.9324260888250541
Energy: 0.9348282069566177
Energy: 0.9243958490925253
Energy: 0.9254123106507507
Energy: 0.9295534494610349
Energy: 0.9468801095308177
Energy: 0.9251037444178419
Energy: 0.9251794617116195
Energy: 1.1485473811806646
Energy: 0.9956317208613874
Energy: 0.925270870845518
Energy: 0.9424658844534218
Energy: 0.9474188345405538
Energy: 0.9652105552645818
Energy: 0.9497081912120993
Energy: 0.9258779017200942
Energy: 0.9178953761334043
Energy: 0.9270302059514965
Energy: 0.9238538365060955
Energy: 0.9285682876088415

minimum gb energy = 0.8997774158617702 eV
minimum distance =  2.39999621434713 Angstroms
sigma value = 9


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

Energy: 2.17498640676814
Energy: 1.6043323378463192
Energy: 0.861308418478294
Energy: 0.8574901658221331
Energy: 1.0577553303907112
Energy: 0.8493309464803093
Energy: 0.8270084328973382
Energy: 0.8191494104813227
Energy: 0.8205285953107452
Energy: 0.8148972911241976
Energy: 0.8297498003154941
Energy: 0.8117289854801573
Energy: 1.323232427754023
Energy: 0.8226453890511629
Energy: 0.8215011605672023
Energy: 0.8002561412844896
Energy: 0.8312175513810586
Energy: 0.8207853679377434
Energy: 1.3425720440864946
Energy: 0.8148730549850723
Energy: 0.8077637251736364
Energy: 0.8062990285669591
Energy: 0.8095218060128127
Energy: 0.8072081586217112
Energy: 1.341289138402402
Energy: 0.8068161869111411
Energy: 0.8158199939665681
Energy: 0.8056283614068763
Energy: 0.8029274125834154
Energy: 0.8159793764152177
Energy: 0.9003290786775999
Energy: 0.8006040833018596
Energy: 0.7970458386698829
Energy: 0.9540356045648549
Energy: 0.7991034996291454
Energy: 0.8133191111849639
Energy: 0.9031456218777881
Energy: 0.8063529178825207
Energy: 0.8100167773653119
Energy: 0.8683110042436939
Energy: 0.8060081515226093
Energy: 0.8102521485508244
Energy: 1.0716691304309316
Energy: 0.8265258231207212
Energy: 0.8097774563711124
Energy: 0.9835267073172388
Energy: 0.8320885252288515
Energy: 0.8882695828634876
Energy: 1.2934759067539003
Energy: 0.8013544392960369
Energy: 0.8086300631807296
Energy: 0.8143848920359666
Energy: 0.8008331004263944
Energy: 0.813985668153879
Energy: 1.552399486557221
Energy: 0.8214356521848482
Energy: 0.8069336415969882
Energy: 0.8047102464386616
Energy: 0.818306515676517
Energy: 0.7984724775847478
Energy: 1.5163748113771762
Energy: 0.8030931635880946
Energy: 0.8000442890247805
Energy: 0.7958271008075524
Energy: 0.8122858357725934
Energy: 0.7962490683807623
Energy: 0.846798811447421
Energy: 0.7995982443282205
Energy: 0.8008975289123235
Energy: 0.8090829258984694
Energy: 0.8130569731655369
Energy: 0.8036043482118799
Energy: 1.909767424669253
Energy: 0.814216123628169
Energy: 1.226865736201641
Energy: 0.8130950769927229
Energy: 0.8148592572389536
Energy: 0.812002627031518
Energy: 0.8117099081523642
Energy: 0.801851383000019
Energy: 0.8067741930374779
Energy: 0.8138357944429321
Energy: 0.7993295865269182
Energy: 0.8046776053941972
Energy: 0.8804221182902898
Energy: 0.8327022913854868
Energy: 0.8315145728170088
Energy: 0.834914031954846
Energy: 0.8532807261007919
Energy: 0.9040306253126862
Energy: 0.8817013850713045
Energy: 0.811945144345938
Energy: 0.8115123541323475
Energy: 0.8410839162617988
Energy: 0.8049879575950877
Energy: 0.8207574645857784
Energy: 0.8786254267184614
Energy: 0.8153276776096053
Energy: 0.8149536568332133
Energy: 0.8426087560238283
Energy: 0.8109376083947368
Energy: 0.8259624352041589
Energy: 0.9601272522274391
Energy: 0.8100667826289983
Energy: 0.8068776134659604
Energy: 0.9508886418738041
Energy: 0.8155572441167726
Energy: 0.8070223759540207
Energy: 1.0311228222442765
Energy: 0.8215925204849063
Energy: 0.8250104724413934
Energy: 0.8425316035596013
Energy: 0.8214800866668819
Energy: 0.8276293093754371
Energy: 0.9908008871613144
Energy: 0.8427458878602834
Energy: 0.8428359405184369
Energy: 0.8276909652179367
Energy: 0.831766359098386
Energy: 0.8099138685896566
Energy: 0.8403440204382828
Energy: 0.8200721050694065
Energy: 0.8232678855999501
Energy: 0.8240199855416447
Energy: 0.8199311188535178
Energy: 0.812890015608051
Energy: 1.831693425591075
Energy: 0.8299487364116327
Energy: 0.8160707033779837
Energy: 0.8472687800287485
Energy: 0.8377806036331648
Energy: 0.8203126199710942
Energy: 1.5121722273666292
Energy: 0.8123575398925
Energy: 0.8308322864231386
Energy: 0.8479478428879392
Energy: 0.8284532922464837
Energy: 0.8068485479753087
Energy: 1.3541678727261022
Energy: 0.8242699646211913
Energy: 0.8205386144337969
Energy: 0.7988580884602748
Energy: 0.828192266715891
Energy: 0.8215035941093111
Energy: 1.3843156892361663
Energy: 0.8466856328568813
Energy: 0.8573329412958288
Energy: 0.8353594263734085
Energy: 0.8229049176840035
Energy: 0.8090071401675476
Energy: 1.2050113484339136
Energy: 0.8167137547817086
Energy: 0.815468638182126
Energy: 0.808247096324406
Energy: 0.8178221669580922
Energy: 0.8063958080499122
Energy: 0.8605900548416119
Energy: 0.8200224417760585
Energy: 0.8217252325610415
Energy: 1.2875004069063642
Energy: 0.8213630735327642
Energy: 0.8055797479906601
Energy: 0.9025696882234794
Energy: 0.8087632088585105
Energy: 0.8127420747763646
Energy: 0.8666987869222658
Energy: 0.8165187260188725
Energy: 0.8120355655652892
Energy: 0.9012547317861028
Energy: 0.8086204255274237
Energy: 0.8084311518724984
Energy: 0.868306659831535
Energy: 0.8000620009053455
Energy: 0.8084842771321221
Energy: 1.2465022013224283
Energy: 0.8026600021152027
Energy: 0.8108531442240268
Energy: 1.0721091881986544
Energy: 0.8452019648868708
Energy: 0.8002003315452956
Energy: 1.516189707801507
Energy: 0.8055470322667262
Energy: 0.8009700719259027
Energy: 0.8085348739258573
Energy: 0.8194024402582235
Energy: 0.7967150442972118
Energy: 1.553629894304376
Energy: 0.8075149576305873
Energy: 0.8069311440533118
Energy: 0.823873512958437
Energy: 0.8071553030082702
Energy: 0.7967211157620215
Energy: 1.2234412127316392
Energy: 0.7966617634917553
Energy: 0.801472746423153
Energy: 0.805928885678494
Energy: 0.8186458227756678
Energy: 0.8002660029327359
Energy: 1.7007153422521974
Energy: 0.8067299896339979
Energy: 0.8166688062112608
Energy: 0.811166521910767
Energy: 0.813096334105819
Energy: 0.8019030240940381
Energy: 1.515025640166564
Energy: 0.8077733320625323
Energy: 0.8044375206774436
Energy: 0.8161370351349714
Energy: 0.8012750456720397
Energy: 0.8060052527901241
Energy: 1.0152225000597752
Energy: 0.809660497529173
Energy: 0.8301146921486732
Energy: 0.8750743502531211
Energy: 0.8300116450470629
Energy: 0.8187606783061805
Energy: 0.8804669979936617
Energy: 0.8004607410884658
Energy: 0.8006634883060189
Energy: 0.8441442288862671
Energy: 0.8019336795074629
Energy: 0.8238122128785391
Energy: 0.8795980277627458
Energy: 0.8126582774725343
Energy: 0.8125972105805186
Energy: 0.8412946086437524
Energy: 0.8186340635074627
Energy: 0.8119399042467119
Energy: 1.377637971048638
Energy: 0.8121924757403417
Energy: 0.8128800680800359
Energy: 1.226350468727438
Energy: 0.819578984336982
Energy: 0.8149463895035461
Energy: 1.0300542902645549
Energy: 0.8278870672965641
Energy: 0.8118090500347038
Energy: 0.8396054587592614
Energy: 0.809799153023194
Energy: 0.8120770745160814
Energy: 0.9910675489604795
Energy: 0.8313324371079781
Energy: 0.8221993793793207
Energy: 0.8739030429689512
Energy: 0.8237797270901697
Energy: 0.8292031571596489
Energy: 1.0304416596517365
Energy: 0.8285881246215483
Energy: 0.8284827997033052
Energy: 0.8067785587129822
Energy: 0.8332484774701715
Energy: 0.8286388592312401
Energy: 1.513188734475087
Energy: 0.8118366901917851
Energy: 0.8109754411672053
Energy: 0.8483980428395596
Energy: 0.820191689613074
Energy: 0.8066397579980862

minimum gb energy = 0.7958271008075524 eV
minimum distance =  2.40049177167158 Angstroms
sigma value = 57


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

Energy: 0.8581130090728856
Energy: 0.725744607170262
Energy: 0.7245634618565309
Energy: 0.7261198540669894
Energy: 1.4728171510949943
Energy: 0.7255913910457819
Energy: 0.8591298863141745
Energy: 0.7393300413795514
Energy: 0.7145334912848889
Energy: 0.9524814506632304
Energy: 0.7486091169500673
Energy: 0.7129157128955403
Energy: 0.8420144520294208
Energy: 0.7566176297244265
Energy: 0.7532054256932894
Energy: 0.7540730996028512
Energy: 0.7518370924038262
Energy: 0.7559939001142973
Energy: 0.8416952083359691
Energy: 0.7596959511224509
Energy: 0.7601195535086123
Energy: 0.7579344112920446
Energy: 0.7443539346419978
Energy: 0.7610310744157976
Energy: 0.8909360556738547
Energy: 0.4876459547044315
Energy: 0.48645314072179535
Energy: 0.7158343194990077
Energy: 0.48637905566637546
Energy: 0.7173401311285238
Energy: 0.9801778503583082
Energy: 0.48575486242579863
Energy: 0.4870220622256364
Energy: 0.6937502340112002
Energy: 0.48328152877071284
Energy: 0.4860758352048802
Energy: 0.976423188598921
Energy: 0.6988436645435478
Energy: 0.6989826758406
Energy: 0.7786003567097225
Energy: 0.6980739166755207
Energy: 0.699016128912228
Energy: 1.1191403029290083
Energy: 1.038729816519382
Energy: 1.0384062016476172
Energy: 0.9644933381417794
Energy: 0.8891825570177477
Energy: 0.9759677988118248
Energy: 0.9555574854461844
Energy: 0.750256956255928
Energy: 0.7505871040708606
Energy: 0.7729182630371937
Energy: 0.7798991388168958
Energy: 0.7451805937969411
Energy: 0.564144577565805
Energy: 0.8436774520080547
Energy: 0.48900781108366664
Energy: 0.4841296089613343
Energy: 0.8557235259225532
Energy: 0.48776997139336953
Energy: 0.5642467651676513
Energy: 0.8446315658766113
Energy: 0.7443978776377402
Energy: 0.48527220351938705
Energy: 0.8667127616411912
Energy: 0.48544284166722323
Energy: 1.1882480958125954
Energy: 0.7861092049248958
Energy: 0.7596792083601329
Energy: 0.7388946436488334
Energy: 0.7793832473197838
Energy: 0.75278210860222
Energy: 1.1383721644890161
Energy: 0.960714134893491
Energy: 0.9626883889529251
Energy: 0.9733123359325511
Energy: 0.9713261175299189
Energy: 0.9663212341919294
Energy: 0.9821050877907155
Energy: 0.7237687345388446
Energy: 0.6970675650448581
Energy: 0.7295721141237838
Energy: 0.7171459575317507
Energy: 0.697048291553081
Energy: 0.9543094608446051
Energy: 0.485589626818758
Energy: 0.48753613479922747
Energy: 0.7864674773315128
Energy: 0.48742129945892704
Energy: 0.48772948626222795
Energy: 0.8817748003990276
Energy: 0.724366552889226
Energy: 0.7232201516281545
Energy: 0.7314016122486635
Energy: 0.48529047530866837
Energy: 0.7190381035890591
Energy: 1.0051708829178236
Energy: 0.7604858537541225
Energy: 0.7585155054010998
Energy: 0.7467533930044922
Energy: 0.7651856246263198
Energy: 0.758842655361341
Energy: 0.8421278417607629
Energy: 0.7465885080274441
Energy: 0.7485377319348814
Energy: 0.7493765776189444
Energy: 0.7392284665954177
Energy: 0.7480427098894677
Energy: 0.8589188019721637
Energy: 0.8054417202807813
Energy: 0.9580649439645887
Energy: 0.7226443088381452
Energy: 0.8339403359978306
Energy: 0.9507422027727264

minimum gb energy = 0.48328152877071284 eV
minimum distance =  2.40800770813913 Angstroms
sigma value = 11


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

Energy: 1.6676553842225859
Energy: 0.899627115050265
Energy: 1.719274817068473
Energy: 1.3989672138422307
Energy: 0.8766241872589552
Energy: 0.9768477555394552
Energy: 0.7710382672122352
Energy: 0.6569942471586288
Energy: 0.660325410012945
Energy: 0.6584173022806712
Energy: 0.7876717536287635
Energy: 0.6658762843741418
Energy: 0.7650311910457686
Energy: 0.6571028164161885
Energy: 0.6592380216153978
Energy: 0.6570845335119859
Energy: 0.6569147213328458
Energy: 0.6590310413979011
Energy: 0.7640389897015243
Energy: 0.6554666349231278
Energy: 0.6686145721308947
Energy: 0.6585519261110385
Energy: 0.6610316169849634
Energy: 0.6674723319381299
Energy: 0.8817652468448958
Energy: 0.7809093511839776
Energy: 0.7819589310213277
Energy: 0.7931710017841397
Energy: 0.8973346444717324
Energy: 0.6585820122080611
Energy: 1.3881419489222064
Energy: 0.8851072472991026
Energy: 0.8936256670155052
Energy: 0.8727603233060335
Energy: 0.7774732489816711
Energy: 0.77820759435234
Energy: 1.0050576123116093
Energy: 0.6647837720348824
Energy: 0.6656887261576107
Energy: 0.7953637578071546
Energy: 0.8028610034795476
Energy: 0.6646305559402198
Energy: 0.7632720722597123
Energy: 0.788633781445325
Energy: 0.8175143237634999
Energy: 0.6798719844211141
Energy: 0.8606957001130076
Energy: 0.7890414475670119
Energy: 1.0782135452986656
Energy: 0.6698363029485999
Energy: 0.7792307887957989
Energy: 0.6566545341592444
Energy: 0.6583046705806509
Energy: 0.7788743949895961
Energy: 1.3995413937363155
Energy: 0.8990203762161018
Energy: 0.7749844947713705
Energy: 0.9525496348106934
Energy: 0.8861025059162811
Energy: 0.8898363755558547
Energy: 1.510042731368765
Energy: 0.9019719045695219
Energy: 0.7814760906899685
Energy: 0.7851371043797785
Energy: 0.8837938784633874
Energy: 0.7857726956634054
Energy: 1.0849075122356016
Energy: 0.6778529365758781
Energy: 0.7852158883917135
Energy: 0.9428251342098571
Energy: 0.6567964587040983
Energy: 0.7821274121880416
Energy: 1.0647078173659328
Energy: 0.6605954612766674
Energy: 0.6803790601067318
Energy: 1.0490954175370883
Energy: 0.6553567115970782
Energy: 0.9188010468163922
Energy: 1.048291421588895
Energy: 0.8990724915034095
Energy: 0.8955645331420128
Energy: 0.9297023722427623
Energy: 0.8942000002367245
Energy: 0.9013489792968522
Energy: 1.091264472538194
Energy: 1.195228499490369
Energy: 1.196297157488348
Energy: 0.9625935557549385
Energy: 1.2129915867672476
Energy: 0.9681515879585527
Energy: 1.4539677097949624
Energy: 0.8967197968722748
Energy: 0.9045951853557083
Energy: 0.9273790973233296
Energy: 0.8951833417624927
Energy: 0.9028189309628005
Energy: 1.180611480224244
Energy: 0.9620861725637487
Energy: 1.0237336619124686
Energy: 1.0121105679838522
Energy: 0.9636616467896957
Energy: 0.8752959215464368
Energy: 1.498222781779106
Energy: 0.9282091046238066
Energy: 0.8985909219165013
Energy: 0.8832545601832943
Energy: 0.9392728357232555
Energy: 0.897517464490028
Energy: 1.3690894353757026
Energy: 0.9380281357611232
Energy: 0.7806392613637488
Energy: 0.8941679295116209
Energy: 0.9400586425114165
Energy: 0.7804998373196494
Energy: 0.9715002274846034
Energy: 0.9407922361422887
Energy: 0.9415278815940682
Energy: 0.8472403177861569
Energy: 0.9969294609958202
Energy: 0.8816618719900259
Energy: 1.4014733186181576
Energy: 0.7796290693737006
Energy: 0.7821716957027439
Energy: 0.9219662507518055
Energy: 0.8907128623845438
Energy: 0.7757582344056329
Energy: 1.01966419206988
Energy: 1.3651020873130817
Energy: 1.3649556013852282
Energy: 0.9203702437548583
Energy: 1.3952551185882593
Energy: 0.8917262082121842
Energy: 1.024403029661967
Energy: 0.7807249695171109
Energy: 0.7773745869628089
Energy: 0.9011962266893886
Energy: 0.7762907070647042
Energy: 0.7765127389131957
Energy: 0.871686022064335
Energy: 0.6597897473957537
Energy: 0.6682438146127879
Energy: 0.8057396825625092
Energy: 0.6658329608782312
Energy: 0.8007698684974623
Energy: 0.9980140823462557
Energy: 0.6729658672530636
Energy: 0.6732351689512015
Energy: 0.8055183662152362
Energy: 0.6555330159157718
Energy: 0.6694189450540056
Energy: 1.5131664157501754
Energy: 0.7887978697065062
Energy: 0.6585531355198948
Energy: 0.894088899189023
Energy: 0.7687796060650111
Energy: 0.6611394917696634

minimum gb energy = 0.6553567115970782 eV
minimum distance =  2.41235083585583 Angstroms
sigma value = 41


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

Energy: 1.558515199186722
Energy: 0.9809520333499095
Energy: 0.9822863554294505
Energy: 1.2915112119415615
Energy: 1.157349687083477
Energy: 1.2411972491321541
Energy: 1.17018886733572
Energy: 0.6803023562918062
Energy: 0.6785375576415541
Energy: 0.6862447308003587
Energy: 0.8708486478836437
Energy: 0.6822695209035433
Energy: 0.7769195126003489
Energy: 0.6782561705782273
Energy: 0.6772295750447482
Energy: 0.6799841689487547
Energy: 0.6773872602901203
Energy: 0.6763326277467415
Energy: 0.7777202160646532
Energy: 0.677414612657178
Energy: 0.6774559243945639
Energy: 0.6791534577314864
Energy: 0.6733022301757067
Energy: 0.6770810985349053
Energy: 0.96294860536125
Energy: 0.6975151318449778
Energy: 0.7000421876714632
Energy: 0.8767145106437548
Energy: 0.8671729353093511
Energy: 0.6783643757012053
Energy: 1.2098401458694865
Energy: 0.6971868559581629
Energy: 0.6960834797510683
Energy: 0.8785342837828208
Energy: 0.6911153990320985
Energy: 1.1380217592771547
Energy: 1.1293394270664174
Energy: 0.6824628165543967
Energy: 0.6767065882790553
Energy: 0.8701462639697694
Energy: 0.8732835802338568
Energy: 0.67728116853082
Energy: 0.8060945943356138
Energy: 0.9136913532708832
Energy: 0.847471371328998
Energy: 0.6992333124615325
Energy: 0.8453969205401302
Energy: 0.6811786268288662
Energy: 1.2197174767268275
Energy: 0.6790210572156852
Energy: 0.677651837586159
Energy: 0.6785200679501875
Energy: 0.8994775022751543
Energy: 0.6774129953393928
Energy: 1.1331835338271807
Energy: 1.0452161943871858
Energy: 1.04636777759647
Energy: 0.9504040319567006
Energy: 1.0447001582088955
Energy: 0.8615482062360645
Energy: 1.1312094641282024
Energy: 0.8753588262010982
Energy: 0.6932215460222563
Energy: 0.6850449235165434
Energy: 1.0834025647331076
Energy: 0.6951534506187086
Energy: 1.5713066093375105
Energy: 0.6833038831988892
Energy: 0.6828794843748887
Energy: 1.0815676915859351
Energy: 0.6866544105867266
Energy: 0.6956882869641676
Energy: 1.10955406057257
Energy: 0.6913411711611807
Energy: 0.684832832256905
Energy: 1.0835337355126984
Energy: 0.6894436248510593
Energy: 0.6854311785174764
Energy: 0.9336943220683861
Energy: 0.6767372487407469
Energy: 0.6770863733382045
Energy: 0.902289325753719
Energy: 0.6815872965395899
Energy: 0.6815945733564946
Energy: 1.0210603719756561
Energy: 0.9976893818920421
Energy: 0.996730311924819
Energy: 0.9385033257565282
Energy: 0.9979736572273217
Energy: 0.99705889179357
Energy: 1.1428433730741085
Energy: 0.8714805415464519
Energy: 0.6793999677196499
Energy: 0.9002833475227672
Energy: 0.8714143144804007
Energy: 0.6785454915083442
Energy: 1.4629707873774522
Energy: 0.8766702080554412
Energy: 1.0591717807221523
Energy: 1.2162219278186845
Energy: 0.8771008095005494
Energy: 1.2158415278950827
Energy: 0.8040173703585474
Energy: 0.8775510239400175
Energy: 0.6830108310969935
Energy: 0.6756564162214489
Energy: 0.8709581497315538
Energy: 0.6814070804530318
Energy: 0.7781865720998954
Energy: 0.6778029842907679
Energy: 0.677077298600864
Energy: 0.6775775381654858
Energy: 0.6820826446936555
Energy: 0.6763503262045734
Energy: 0.7767966749487787
Energy: 0.6737628499083482
Energy: 0.6789669508355013
Energy: 0.6779560740895739
Energy: 0.6830464845467457
Energy: 0.6766389688746252
Energy: 0.9644303084108745
Energy: 0.6812013282118735
Energy: 0.6807429462889407
Energy: 0.8779975086196082
Energy: 0.674764533915913
Energy: 0.6763110519844168
Energy: 1.4531309555960654
Energy: 1.508567745326857
Energy: 1.5084602816103947
Energy: 1.0852031769779382
Energy: 1.5091651379684654
Energy: 1.5090052459640768
Energy: 1.2091778707753342
Energy: 0.6862454553797145
Energy: 0.6839382353195825
Energy: 0.8780437745942723
Energy: 0.6860727351344003
Energy: 0.8708409612715938
Energy: 0.8059675496129898
Energy: 0.6787304450140079
Energy: 0.7060164833421687
Energy: 0.6758611328558078
Energy: 0.6806932329287891
Energy: 0.6819070773358603
Energy: 1.1292510475343618
Energy: 0.6774838137516797
Energy: 0.6840724536855384
Energy: 0.8721604110177004
Energy: 0.9000852025026125
Energy: 0.6840478215709024
Energy: 1.1316297861857856
Energy: 1.083011842085281
Energy: 0.8754863123322694
Energy: 0.6844283818770204
Energy: 1.0825745467068273
Energy: 0.6954197963400081
Energy: 1.133433054153203
Energy: 1.044683649193851
Energy: 1.045034087243005
Energy: 0.9543035104369872
Energy: 1.0440527223772187
Energy: 0.8616395154672031
Energy: 1.570555926776047
Energy: 0.6834408288075193
Energy: 0.6891307681444513
Energy: 1.0852944387808026
Energy: 1.0592319715710323
Energy: 0.6924859584917957
Energy: 1.187201686196916
Energy: 1.2393072129746083
Energy: 1.2390665827369356
Energy: 1.165134974408993
Energy: 1.2378749296822595
Energy: 1.2387419598321314
Energy: 1.149378514522587
Energy: 0.6926792546801663
Energy: 0.6930467599496601
Energy: 0.8787550595475376
Energy: 0.6923663025981762
Energy: 0.8660386329370293
Energy: 1.018793313695139
Energy: 0.6751188670465879
Energy: 0.6807832130755592
Energy: 0.9751145626821546
Energy: 0.6825930741227034
Energy: 1.0011347810864144
Energy: 1.1441011485446477
Energy: 0.6778930132863299
Energy: 0.6770280780393528
Energy: 0.9000239349140586
Energy: 0.6749323630765809
Energy: 0.6774492861653566
Energy: 1.46104816611286
Energy: 0.8772246731550654
Energy: 0.8757389029578144
Energy: 0.6850738060272739
Energy: 0.8764300133446253
Energy: 0.683146046279726

minimum gb energy = 0.6733022301757067 eV
minimum distance =  2.39769904160144 Angstroms
sigma value = 33


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

Energy: 1.2301323128269384
Energy: 1.5355280603897281
Energy: 1.4791553418023844
Energy: 0.8155067971629276
Energy: 1.7904694984462668
Energy: 1.5333592692957463
Energy: 1.3055889636816262
Energy: 0.7213966696881152
Energy: 0.7163653693865413
Energy: 0.7396785458883477
Energy: 1.0505098049735975
Energy: 0.976116005599468
Energy: 0.947436176247541
Energy: 0.8154260601974581
Energy: 0.820823114181948
Energy: 0.8375658903845286
Energy: 0.7148164910797121
Energy: 0.8120186214649965
Energy: 0.9534319250418771
Energy: 0.712680804490662
Energy: 0.7163652061995333
Energy: 0.7230205370901565
Energy: 0.7198845942054114
Energy: 0.7158195048031276
Energy: 1.084477161520473
Energy: 0.7841417759603481
Energy: 0.9099255064127507
Energy: 1.0098797827155448
Energy: 0.7840846964745859
Energy: 0.8096911066029584
Energy: 1.2980829940490264
Energy: 1.1704410499567748
Energy: 1.1743292091974948
Energy: 0.9943806571683267
Energy: 1.160317914745381
Energy: 1.1750889913338476
Energy: 1.2878008163004653
Energy: 0.7342628100699883
Energy: 0.8138872336725894
Energy: 0.9367551317391993
Energy: 0.9391723351128628
Energy: 0.7363288836671879
Energy: 0.9206069591724175
Energy: 1.1606543292206803
Energy: 0.8577518025619932
Energy: 0.771107602142435
Energy: 1.1601122281702305
Energy: 0.8582047360014289
Energy: 0.9812292640142931
Energy: 0.9026998541649619
Energy: 0.8340881117067547
Energy: 0.8400479695103362
Energy: 1.054063562832797
Energy: 0.8420882237124017
Energy: 1.4799108552383489
Energy: 1.1199983456633216
Energy: 1.1147434270879835
Energy: 0.830099913964632
Energy: 1.1182294825065293
Energy: 0.8611937703974624
Energy: 1.4801795020391124
Energy: 1.0899808868337348
Energy: 0.8468798614622669
Energy: 0.8300725832003442
Energy: 1.0939970683878881
Energy: 0.847485940854427
Energy: 1.4290303903807247
Energy: 0.7166682267955415
Energy: 0.7176287309492667
Energy: 1.0802724192479718
Energy: 0.716389240107169
Energy: 0.7252426278413321
Energy: 1.152876820408392
Energy: 0.7143758243407723
Energy: 0.7161524471225632
Energy: 1.081313078125499
Energy: 0.715808803416749
Energy: 0.717868606225749
Energy: 0.9654979992661908
Energy: 0.8239704906947242
Energy: 0.842732995948626
Energy: 0.8305384832888523
Energy: 0.8306910541615573
Energy: 0.8234997258896775
Energy: 0.8873593472633363
Energy: 0.911753922367609
Energy: 0.9077139272809146
Energy: 0.8295857477009795
Energy: 0.9083474219824287
Energy: 0.9068715506914723
Energy: 0.9577184458769903
Energy: 0.8425286386620607
Energy: 0.8365670218470989
Energy: 0.8318092009050155
Energy: 0.8657737785344948
Energy: 0.8365769257275115
Energy: 1.378142571177227
Energy: 1.0313412661241779
Energy: 1.197652781753219
Energy: 1.161223740450331
Energy: 1.049972424460273
Energy: 1.178525472375833
Energy: 1.4339051222115766
Energy: 0.9567469728837604
Energy: 0.8697547344703985
Energy: 0.7804556997570318
Energy: 0.9914555474879427
Energy: 0.8708388661409135
Energy: 1.1852329737834764
Energy: 0.7810663965181539
Energy: 0.778700899148837
Energy: 0.9960430156832699
Energy: 0.7797762665325211
Energy: 0.8976218677284921
Energy: 1.0931113698194612
Energy: 0.7820785957068671
Energy: 0.7809745841881868
Energy: 1.0287944966353808
Energy: 0.7802878675470486
Energy: 0.8972386960522083
Energy: 1.1220015680258133
Energy: 0.8368640623685022
Energy: 0.8379731293575722
Energy: 1.1003984612111655
Energy: 0.828665551300514
Energy: 0.8380143714025495
Energy: 1.2715436027678484
Energy: 1.2381858353005744
Energy: 1.2395085156261516
Energy: 1.2445968989703875
Energy: 1.2383238292249088
Energy: 1.2422508581406515
Energy: 1.3598513887255197
Energy: 0.8263176635636805
Energy: 1.070489573301588
Energy: 1.1037111438559153
Energy: 1.0896791528778256
Energy: 1.070613266051274
Energy: 0.8670592779795886
Energy: 1.2082969495403266
Energy: 1.479882346746259
Energy: 1.4762823902508333
Energy: 1.2130558473095991
Energy: 1.476124547618113
Energy: 1.7524425810412587
Energy: 1.0785587588317702
Energy: 0.832764447140249
Energy: 0.9810300842418977
Energy: 1.078644040672871
Energy: 0.8269736833204608
Energy: 0.9358720112562712
Energy: 0.8279543343934117
Energy: 0.8256032475500241
Energy: 0.8342945287078741
Energy: 0.832180633091252
Energy: 0.8220701455978706
Energy: 0.9307448640277136
Energy: 0.8406469181591978
Energy: 0.838444571894852
Energy: 0.8479757477778227
Energy: 0.832221549290783
Energy: 0.8385191986477658
Energy: 1.1061094240150773
Energy: 0.9098374590698715
Energy: 0.9060108476183841
Energy: 1.0201182316305413
Energy: 0.7850875828150919
Energy: 0.9379751487863787
Energy: 1.2188883596040594
Energy: 1.176028492419644
Energy: 1.178348134134752
Energy: 1.093153982681209
Energy: 1.1763023607266372
Energy: 1.1844062709203589
Energy: 1.1095733563975332
Energy: 0.9522171349910946
Energy: 0.9004476433075477
Energy: 0.9981650828313106
Energy: 1.0009633006392198
Energy: 0.8925723817717711
Energy: 0.9217690011791116
Energy: 0.9448418247251796
Energy: 0.8597851035057595
Energy: 0.7800847784506729
Energy: 0.9148801119773955
Energy: 0.8595498679582602
Energy: 1.1138481843477315
Energy: 0.953003748296701
Energy: 0.9493645612761996
Energy: 0.8900507650535208
Energy: 1.0557241144532499
Energy: 0.9422922686478297
Energy: 1.4801228255889805
Energy: 1.117280255403639
Energy: 0.8488467922218266
Energy: 0.8343903524731757
Energy: 1.1154237147309571
Energy: 0.8600950497740322
Energy: 1.480161869840688
Energy: 1.0873485031860777
Energy: 0.8524401662048595
Energy: 0.837367980719685
Energy: 1.0858767983116908
Energy: 0.8440104587233299
Energy: 1.4357324244550043
Energy: 0.7195108169022868
Energy: 0.7188355808830162
Energy: 1.079624080000232
Energy: 0.7327909594921973
Energy: 0.8320319091978993
Energy: 1.1512524803909625
Energy: 0.7139435643095358
Energy: 1.1033137819536063
Energy: 1.0817545200047316
Energy: 0.7160054854235745
Energy: 1.477195669982722
Energy: 0.9606271379385246
Energy: 0.8302063888434659
Energy: 0.844850788576889
Energy: 0.8330397697388603
Energy: 0.8557772813673393
Energy: 0.834295512283983
Energy: 0.8908666393010837
Energy: 0.8845616620901854
Energy: 0.9065313592334792
Energy: 0.8887017595968537
Energy: 0.8849890788279131
Energy: 0.906228702669916
Energy: 0.9607741231581914
Energy: 0.8459975422643584
Energy: 0.8336777086031724
Energy: 0.8245163486653686
Energy: 0.8644586559622974
Energy: 0.8362898074804974
Energy: 1.3772901996139486
Energy: 1.053742042343754
Energy: 1.0363230908416394
Energy: 1.1561756608489453
Energy: 1.0374847068203972
Energy: 1.1546677165513182
Energy: 1.432601232110826
Energy: 0.9337443149575905
Energy: 0.7257060501982446
Energy: 0.8111939051175987
Energy: 0.9344315059922707
Energy: 0.7225530690429756
Energy: 1.2823340544026156
Energy: 0.7795256097146379
Energy: 0.7764121698410177
Energy: 1.0131845015495269
Energy: 0.7778713482416151
Energy: 0.7403829984858341
Energy: 1.1021295609386688
Energy: 0.7822047281413442
Energy: 0.7779122866175938
Energy: 0.9874620517938206
Energy: 0.7826325760264146
Energy: 0.7740291412777365
Energy: 1.105015697215025
Energy: 0.7375997029089888
Energy: 0.9770729311551511
Energy: 1.104116160057403
Energy: 0.7374620254087898
Energy: 0.7381531989938241
Energy: 1.2584853056366567
Energy: 1.2311717056774534
Energy: 1.2364974307512444
Energy: 1.245385010415797
Energy: 1.1412335206755788
Energy: 1.2334104885693817
Energy: 1.3863342608773876
Energy: 0.7345901283088297
Energy: 0.7373609988077447
Energy: 0.9868996149413188
Energy: 0.9887344696515787
Energy: 0.7369719891469017
Energy: 0.9466308673274696
Energy: 1.1748047777501647
Energy: 1.3481773304220985
Energy: 0.7130893551401922
Energy: 1.173987974924126
Energy: 1.1544206043362923

minimum gb energy = 0.712680804490662 eV
minimum distance =  2.33505209968889 Angstroms
sigma value = 67


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

Energy: 1.3867348072888546
Energy: 0.8340065227065238
Energy: 0.8329255173640225
Energy: 0.8229231226587371
Energy: 1.2287345468593271
Energy: 0.8244423303602895
Energy: 0.8710791314576674
Energy: 0.7558080642731794
Energy: 0.7555763400112476
Energy: 0.7548833079926173
Energy: 0.7557638849778229
Energy: 0.7556869370233209
Energy: 0.8203987484163767
Energy: 0.7171784581484246
Energy: 0.8279228791379336
Energy: 0.7161940467164666
Energy: 0.8412794932989177
Energy: 0.7206249038235264
Energy: 0.8175376201936551
Energy: 0.7188855826916478
Energy: 0.7196691389850904
Energy: 0.7184353310683497
Energy: 0.7185302967655354
Energy: 0.7199893300107999
Energy: 0.8456398822559107
Energy: 0.7590399316233497
Energy: 0.760854053091575
Energy: 0.767933442539616
Energy: 0.7578067001388664
Energy: 0.7612874680331588
Energy: 0.8431766411911396
Energy: 0.7425648425461112
Energy: 0.77557182252022
Energy: 0.7720123268549234
Energy: 0.7430641852279963
Energy: 0.7735223762485688
Energy: 0.8712226173402852
Energy: 0.7559674450741275
Energy: 0.7567963217499499
Energy: 0.732599342501958
Energy: 0.7571553732060514
Energy: 0.7561526119708057

minimum gb energy = 0.7161940467164666 eV
minimum distance =  2.41455498495745 Angstroms
sigma value = 3


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

Energy: 1.2175833928713495
Energy: 1.5293500522855288
Energy: 1.18664767153561
Energy: 0.9000387321767059
Energy: 1.5606463094510263
Energy: 1.2252881045690347
Energy: 0.931936308997704
Energy: 0.7810732292333347
Energy: 0.7794598921479863
Energy: 0.7879637853903466
Energy: 0.7795473393680652
Energy: 0.7877494397594018
Energy: 0.9895108869068553
Energy: 0.8342974280159655
Energy: 0.8338636371802283
Energy: 0.7935111011725858
Energy: 0.7955402414937269
Energy: 0.8526145547521625
Energy: 0.9548281052949208
Energy: 0.792061674188969
Energy: 0.788814448865371
Energy: 0.9396878124252942
Energy: 0.8310809406103158
Energy: 0.7555164783351691
Energy: 0.9216719025434428
Energy: 0.8645504746880786
Energy: 0.8709990216842577
Energy: 0.8615880419313771
Energy: 0.8553694833137299
Energy: 0.8467630115221115
Energy: 0.920705084060137
Energy: 0.8468602680863365
Energy: 0.8458291799223747
Energy: 0.8501475882026489
Energy: 0.8444435940543049
Energy: 0.8480368242387564
Energy: 0.9851745141062268
Energy: 0.8528625026263289
Energy: 0.8567561670409121
Energy: 0.8630675939182211
Energy: 0.8525415856338927
Energy: 0.8587384852230237
Energy: 1.173140704767288
Energy: 1.4077124508854535
Energy: 1.075767011826418
Energy: 0.8489539678898499
Energy: 1.4085385724820918
Energy: 1.00135122024735
Energy: 1.0665660838040119
Energy: 0.9023805661093242
Energy: 0.8998160398244852
Energy: 0.9068663850473909
Energy: 0.8958161992677993
Energy: 0.9274128165742479
Energy: 1.3508757315738549
Energy: 0.8787979688656959
Energy: 0.8786848638304136
Energy: 1.1468517389176294
Energy: 0.8790824390105475
Energy: 1.1154172242011193
Energy: 1.1398068282244995
Energy: 0.9193239757217793
Energy: 1.0475012973321582
Energy: 1.0186032118617705
Energy: 0.7886138323895631
Energy: 1.019480713420746
Energy: 0.9575999581226762
Energy: 0.8515872994448445
Energy: 0.8388903826529733
Energy: 0.8650602301616919
Energy: 0.8460813784623524
Energy: 0.8377178679824139
Energy: 0.9005937622095136
Energy: 0.8367010161004398
Energy: 0.8411049826653235
Energy: 0.7892669240052973
Energy: 0.8333217101490646
Energy: 0.8527455798117896
Energy: 1.1961096682003933
Energy: 0.8970920239872292
Energy: 0.8889141884881145
Energy: 0.993762457566137
Energy: 0.9227948517760552
Energy: 0.8838942021270854
Energy: 1.016734795960146
Energy: 0.8731529832470651
Energy: 0.8710624874918946
Energy: 0.793270125866634
Energy: 0.9794789349462566
Energy: 0.8728627080591663
Energy: 0.997894764633687
Energy: 0.8837476100584137
Energy: 0.8835677873705648
Energy: 0.8772127552692303
Energy: 0.8866883389422702
Energy: 0.8821065443276352
Energy: 1.047384328487079
Energy: 1.0119686792987117
Energy: 1.0525705388178999
Energy: 0.9716865931626604
Energy: 1.0081554937430257
Energy: 1.1225025440287968
Energy: 1.0374105207040387
Energy: 0.902456976815499
Energy: 0.9402858345360102
Energy: 0.9373862935816123
Energy: 0.9143824099930036
Energy: 0.9413791402033386
Energy: 0.9661693020110196
Energy: 0.9630008550816547
Energy: 0.9671788265141005
Energy: 0.8679121359021174
Energy: 0.9839018674255294
Energy: 0.8664518952259703
Energy: 0.9479606932704596
Energy: 0.984710562568607
Energy: 0.9750025880040195
Energy: 0.8646009194416322
Energy: 0.9760516529559135
Energy: 0.8664890567935163
Energy: 0.9409020250536099
Energy: 0.8424941111865613
Energy: 0.8430330314987529
Energy: 0.8473567983697687
Energy: 0.8450353542588781
Energy: 0.8425255337124368
Energy: 0.9275670232054836
Energy: 0.8395188199868909
Energy: 0.8497751769514923
Energy: 0.8305502223727728
Energy: 0.8297435177732007
Energy: 0.8409813167695971
Energy: 1.0078595768932397
Energy: 0.8302968984775422
Energy: 0.8331760171565418
Energy: 0.9632439514916312
Energy: 0.8369850358362986
Energy: 0.8447367074876286
Energy: 1.1276516472361993
Energy: 0.8353180252027069
Energy: 0.8569670442198318
Energy: 1.0781586341515994
Energy: 0.8358281398124492
Energy: 1.0535528871634414
Energy: 1.1518278404099542
Energy: 0.886968174450783
Energy: 0.8968096161775418
Energy: 1.0499680513920036
Energy: 0.8913714663421681
Energy: 0.897018223322203
Energy: 1.123779411123334
Energy: 0.8736088093295101
Energy: 0.7628757205937299
Energy: 0.79392951673348
Energy: 0.879307106342602
Energy: 1.0829493587769623
Energy: 0.9000732889076315
Energy: 0.8918836868236064
Energy: 0.7696288856530389
Energy: 0.7919884636816894
Energy: 0.86852294094746
Energy: 1.0810820682662179
Energy: 0.9299750488684915
Energy: 0.8940380572667777
Energy: 0.8997668894386199
Energy: 0.8851734955521136
Energy: 0.8838165153778059
Energy: 0.8954178754106465
Energy: 0.929026538915086
Energy: 0.796942011100997
Energy: 0.8303816152776192
Energy: 0.8886360778909513
Energy: 0.797285077127106
Energy: 0.896288055134431
Energy: 1.0682299116935388
Energy: 0.9716573869104637
Energy: 0.9856023446557727
Energy: 1.0031138394587498
Energy: 0.975143531439452
Energy: 0.9837925346481423
Energy: 1.022610117257867
Energy: 0.9401784337047079
Energy: 0.8636684966081248
Energy: 0.8502622305857086
Energy: 0.9821552248457867
Energy: 0.8644365051546672
Energy: 0.9192586088394361
Energy: 0.8579940447982854
Energy: 0.8616645123057548
Energy: 0.8603612691347545
Energy: 0.8619844316965173
Energy: 0.8638489631903892
Energy: 1.065462805352318
Energy: 0.959056716767478
Energy: 0.9556557770195603
Energy: 0.8549087093174395
Energy: 1.11530624154783
Energy: 1.010637042508169
Energy: 1.0161502720591649
Energy: 0.9544708042487723
Energy: 0.9520693870089709
Energy: 0.8487660604224992
Energy: 0.9549216030683096
Energy: 0.9430102863358163
Energy: 1.2807355178636743
Energy: 0.9126948213432274
Energy: 1.047085300078391
Energy: 1.0860963703212358
Energy: 0.907878131321765
Energy: 1.0778476618908062
Energy: 1.1382273331614137
Energy: 0.8794616944744466
Energy: 0.8783822077301177
Energy: 1.1190900599952516
Energy: 0.878869481195791
Energy: 1.1173597270512619
Energy: 0.9550281648668255
Energy: 0.8469239551615089
Energy: 0.8487416249889905
Energy: 0.8583326351151257
Energy: 0.8508140871925217
Energy: 0.8514454611692279
Energy: 0.895555915700007
Energy: 0.8331941321286892
Energy: 0.9878309694854952
Energy: 0.7848463758462052
Energy: 0.8387871763120387
Energy: 0.9862742245139522
Energy: 0.9574266295978159
Energy: 0.8814396278539004
Energy: 0.8800465575823843
Energy: 0.912322533524384
Energy: 0.9454018209281172
Energy: 0.883071097207041
Energy: 0.9232121150181078
Energy: 0.8743318746590382
Energy: 0.9152955667837217
Energy: 0.8204270074936096
Energy: 0.8657462200237509
Energy: 0.8893144754549198
Energy: 0.9959781950469146
Energy: 0.902056790174517
Energy: 0.8952364888219787
Energy: 0.8863987976760209
Energy: 0.9073865543801525
Energy: 0.8905095004577074
Energy: 1.0444850438810185
Energy: 0.899290409123532
Energy: 0.898586262764104
Energy: 0.8668425558051434
Energy: 0.8577741075103152
Energy: 0.871784073499301
Energy: 1.1854107180399125
Energy: 1.010827880426984
Energy: 0.8686200524514618
Energy: 1.0208050953814267
Energy: 0.8682925303155338
Energy: 0.9779407431643119
Energy: 1.0647959335466906
Energy: 0.9034794053544027
Energy: 0.9060613070242122
Energy: 0.8785943261262281
Energy: 0.9084976081474823
Energy: 0.9034260216344762
Energy: 0.9477345237983961
Energy: 1.0570471795107095
Energy: 0.8439665160391306
Energy: 0.9414869068860976
Energy: 1.0502191977815707
Energy: 0.8465526403265122
Energy: 0.9391932001475746
Energy: 0.9661248310502295
Energy: 0.9719616949801654
Energy: 0.8414655113004633
Energy: 0.9795083825121444
Energy: 0.8559451782029555
Energy: 0.924333052980261
Energy: 0.8370955921625828
Energy: 0.8301412180779294
Energy: 0.8299536651969148
Energy: 0.8341955314984336
Energy: 0.8370514427363909
Energy: 0.9411268072090995
Energy: 0.8333140761547908
Energy: 0.8435543060354042
Energy: 0.8546004093336509
Energy: 0.847718123253873
Energy: 0.8341238994102671
Energy: 1.0417547089335366
Energy: 0.8460113448832117
Energy: 1.0582436764217993
Energy: 1.0589572872055464
Energy: 0.8429392072387345
Energy: 0.9513638191754198
Energy: 1.1581862911407117
Energy: 0.8472330109583531
Energy: 0.8470679344723548
Energy: 0.9527538680185029
Energy: 0.8482652046712366
Energy: 1.040652604392848
Energy: 1.107832233275497
Energy: 0.7819307280152527
Energy: 0.7789141542253497
Energy: 0.7752142418027959
Energy: 0.7792211311006968
Energy: 0.7901929946987791

minimum gb energy = 0.7555164783351691 eV
minimum distance =  2.37501672552508 Angstroms
sigma value = 81


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

Energy: 0.8875509168281362
Energy: 0.8829129051246146
Energy: 0.793169381531913
Energy: 0.8539016440901988
Energy: 1.1182558777848135
Energy: 0.8798790886255416
Energy: 1.050064305617485
Energy: 0.8166765386810033
Energy: 0.7407095217420828
Energy: 0.7210646884424575
Energy: 0.7415965988859317
Energy: 0.8161457997473841
Energy: 0.8938369061743715
Energy: 0.7543541756248999
Energy: 0.7543505200929957
Energy: 0.7137460062531985
Energy: 0.756102478486755
Energy: 0.8435310032937284
Energy: 0.8939550404522633
Energy: 0.7604209544105773
Energy: 0.8377727215754975
Energy: 0.7155766589549349
Energy: 0.754763141611167
Energy: 0.7152410740962036
Energy: 0.9020830844422232
Energy: 0.862606905107468
Energy: 0.8698119710202521
Energy: 0.8577003332277421
Energy: 0.8681321150542793
Energy: 0.8619835857559296
Energy: 0.9073789236472779
Energy: 0.8548995807562634
Energy: 0.8539669948175858
Energy: 0.8488617947994479
Energy: 0.8607153850078939
Energy: 0.8546730902020814
Energy: 0.8993712576374795
Energy: 0.8516696390754616
Energy: 0.8549400682579202
Energy: 0.853553141799281
Energy: 0.8496681975115359
Energy: 0.8563089179339409
Energy: 0.8672932343635105
Energy: 1.3500273518780346
Energy: 1.3534405275671149
Energy: 0.8161654238504716
Energy: 1.3478001766528873
Energy: 0.8120255062902287
Energy: 1.0353912327320003
Energy: 0.9175668942194735
Energy: 0.915355959963321
Energy: 0.8489432374699246
Energy: 0.9230870081184417
Energy: 0.9486658452269199
Energy: 1.004302493525102
Energy: 0.7863727236625189
Energy: 0.7853201704392191
Energy: 0.8526594160408445
Energy: 0.7821668887430117
Energy: 0.7829261520354793
Energy: 1.0393163797997196
Energy: 0.7712393742151669
Energy: 0.7710249000426912
Energy: 0.8687093510925723
Energy: 0.7455834985597283
Energy: 0.8577479756820354
Energy: 0.856955901224651
Energy: 0.8505486783253096
Energy: 0.8561483639779632
Energy: 0.755336909535975
Energy: 0.8501689670541318
Energy: 0.8564116865591639
Energy: 0.8564301473313276
Energy: 0.8644978455427296
Energy: 0.8640554393285809
Energy: 0.7552936575653589
Energy: 0.8638075291584792
Energy: 0.756254826110993
Energy: 0.977141854444587
Energy: 0.856432367714253
Energy: 0.8579935035385309
Energy: 0.8349925640116188
Energy: 0.8578022314258225
Energy: 0.8598997054002534
Energy: 0.9913150839379595
Energy: 0.9111810562436317
Energy: 0.8528845454969548
Energy: 0.8575128683974468
Energy: 0.9092286382964034
Energy: 0.8549284000960748
Energy: 0.9589692596541151
Energy: 0.8572426084846915
Energy: 0.8571657709422107
Energy: 0.8577616017311227
Energy: 0.859864328821148
Energy: 0.8580147057435629
Energy: 1.3420880770910286
Energy: 0.8100646944182953
Energy: 0.8165848714621506
Energy: 1.3379984524335877
Energy: 0.819382355028171
Energy: 0.8159885741945491
Energy: 1.035648686324147
Energy: 0.8587511251784092
Energy: 0.982939734969001
Energy: 0.9196298753317035
Energy: 0.8475609991546484
Energy: 0.9232104282079566
Energy: 0.8858173930545831
Energy: 0.8547136018634478
Energy: 0.7751624410661749
Energy: 0.7780501840849988
Energy: 0.8581799387297001
Energy: 0.7718124739919712
Energy: 0.8959700089138734
Energy: 0.8516601817340298
Energy: 0.7755146047066189
Energy: 0.7663430905017374
Energy: 0.8546606013925897
Energy: 0.7733437017435246
Energy: 0.9035278771532081
Energy: 0.8352968342870378
Energy: 0.9097122333451348
Energy: 0.8566310702631664
Energy: 0.8363213599695462
Energy: 0.8484056121712845
Energy: 0.9067250118079119
Energy: 0.7565712376206536
Energy: 0.7566669300246545
Energy: 0.8589735261572938
Energy: 0.7555617121991253
Energy: 0.7574172282604036
Energy: 0.9630288550811806
Energy: 0.8333599449521009
Energy: 0.8360307627645511
Energy: 0.8374317710194668
Energy: 0.8339435836408219
Energy: 0.8362948382474475
Energy: 0.9085011566973809
Energy: 0.8564320413254363
Energy: 0.8550057877131069
Energy: 0.8552135264777566
Energy: 0.8559809614610672
Energy: 0.8580041134741356
Energy: 0.9013683718085636
Energy: 0.8618464646262902
Energy: 0.8621428037306579
Energy: 0.8608046562140254
Energy: 0.8637095496328024
Energy: 0.8619569668040369
Energy: 0.9321508076445552
Energy: 0.9363182161302603
Energy: 0.9249176277967162
Energy: 0.8228524807104947
Energy: 0.9336540364525641
Energy: 0.9265961073569275
Energy: 0.9336789470591835
Energy: 0.9433220481551124
Energy: 0.9335240632512111
Energy: 0.8195744748597334
Energy: 0.9282834315622233
Energy: 0.9355023391412375
Energy: 1.0459598355130963
Energy: 0.7381704901882843
Energy: 0.8603087016022686
Energy: 0.8575572457570929
Energy: 0.7450445980704784
Energy: 0.8652588180056171
Energy: 1.0062465898915474
Energy: 0.7596055875744346
Energy: 0.7868699561607334
Energy: 0.8522397715886102
Energy: 0.8006360650090647
Energy: 0.76263156639577
Energy: 1.0476974620383668
Energy: 0.8467858147076578
Energy: 0.8472405766054327
Energy: 0.8311898813429702
Energy: 0.8571918111278328
Energy: 0.8363028640151665
Energy: 0.8544615978498075
Energy: 0.848447446170082
Energy: 0.8524630729560936
Energy: 0.7539480540216141
Energy: 0.8904441711787975
Energy: 0.7553447937668709
Energy: 1.0357036902513421
Energy: 0.82937120780565
Energy: 0.8276831228204466
Energy: 0.8271392708217981
Energy: 0.8235036713841762
Energy: 0.8287546645327422
Energy: 0.9973037473582813
Energy: 0.8464735812317167
Energy: 0.8482555756674229
Energy: 0.8678412509056445
Energy: 0.8464786372000795
Energy: 0.8489937581637658
Energy: 0.9909471692943731
Energy: 0.8570956881737031
Energy: 0.8638665146274799
Energy: 0.8707160781375294
Energy: 0.8644533344812358
Energy: 0.8602738740986781
Energy: 1.006948939043566
Energy: 0.8311582175073686
Energy: 0.8631782210340863
Energy: 0.8035920996008673
Energy: 0.8181926287312384
Energy: 0.8303972665810329
Energy: 0.9331458939771893
Energy: 0.8083545687531453
Energy: 0.811424487903592
Energy: 0.7999147964141348
Energy: 0.8075422978729248
Energy: 0.9158988704254453
Energy: 1.0122513469230556
Energy: 0.8313256462452616
Energy: 0.8295841076985604
Energy: 0.7731687917861355
Energy: 0.8309811161739823
Energy: 0.7772910738255348
Energy: 1.155041850729953
Energy: 0.8423002458334311
Energy: 0.8063853871804149
Energy: 0.8041742331359354
Energy: 0.832800247452955
Energy: 0.9084519074806824

minimum gb energy = 0.7137460062531985 eV
minimum distance =  2.36328657997164 Angstroms
sigma value = 43


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

Energy: 0.8133660518924565
Energy: 1.327494761722328
Energy: 1.103389668277014
Energy: 0.8353309582109806
Energy: 1.4145050206307066
Energy: 0.8499238962955541
Energy: 0.9447712289754501
Energy: 0.8875346591202683
Energy: 0.8852104091922672
Energy: 0.7353988061957656
Energy: 0.7443855641335541
Energy: 0.7391586152228046
Energy: 0.7883085490452516
Energy: 0.7190891998831281
Energy: 0.7269115408344192
Energy: 0.7391780783741935
Energy: 0.7304240616378368
Energy: 0.7354033988329878
Energy: 0.8988052181235026
Energy: 0.7231405415716317
Energy: 0.8840728697167416
Energy: 0.7352508724688424
Energy: 0.7372690312572117
Energy: 0.7324469899036496
Energy: 0.7825279436282957
Energy: 0.688645084254998
Energy: 0.688365081327254
Energy: 0.6871571007631193
Energy: 0.6898195770381589
Energy: 0.6891158824054914
Energy: 0.7748397769122709
Energy: 0.6900256527029656
Energy: 0.6882455082622047
Energy: 0.6900696885325994
Energy: 0.6900202010343809
Energy: 0.688673304145187
Energy: 0.886416667806104
Energy: 0.8032790709363177
Energy: 0.8076851060546465
Energy: 0.811719032910432
Energy: 0.8049819930301254
Energy: 0.804041672189237
Energy: 0.8396653050494797
Energy: 0.7364246324582506
Energy: 0.7344843250084682
Energy: 0.7374948762884153
Energy: 0.7645507288771286
Energy: 0.7323205732611637
Energy: 0.8527591118455556
Energy: 0.7335894878323688
Energy: 0.7374223843784381
Energy: 0.9986910384979629
Energy: 0.7346912553888971
Energy: 0.7368693219690806
Energy: 0.9694774738739749
Energy: 0.9221444071738104
Energy: 0.9079975530639934
Energy: 0.966751718723669
Energy: 0.9105745559750766
Energy: 0.9107815323770864
Energy: 1.008363479051307
Energy: 0.8908192584965825
Energy: 0.8846189547328471
Energy: 0.8916753459541821
Energy: 0.7883389265486451
Energy: 1.0078094531180581
Energy: 0.866638466956458
Energy: 0.7359925971590554
Energy: 0.7360554285368759
Energy: 1.020584625030649
Energy: 0.7313354333115797
Energy: 0.7289474954208852
Energy: 0.8704401840418264
Energy: 0.9086762157327877
Energy: 0.7550891033616154
Energy: 0.7415610116867942
Energy: 0.8918975060752724
Energy: 0.7519283360474007
Energy: 0.7742758863601289
Energy: 0.6904622677756792
Energy: 0.6945774662761426
Energy: 0.6866400207419299
Energy: 0.6921174223398504
Energy: 0.6905579070194116
Energy: 0.7837366031512887
Energy: 0.6842089818014607
Energy: 0.7000331840040552
Energy: 0.6920281580404141
Energy: 0.6902090466487947
Energy: 0.6911735942742702
Energy: 0.8745732496427397
Energy: 0.8229667782904243
Energy: 0.803154301650817
Energy: 0.8198367058458953
Energy: 0.8225917835842036
Energy: 0.8049568224966274
Energy: 0.7852474926137601
Energy: 0.7088181416705346
Energy: 0.6997589690872241
Energy: 0.7249227708849827
Energy: 0.7090475925636278
Energy: 0.7066443678040754
Energy: 0.793829653480063
Energy: 0.7119916727569889
Energy: 0.7149198892980928
Energy: 0.715674356838141
Energy: 0.7094421555578696
Energy: 0.7140435618558645
Energy: 0.901079562004747
Energy: 0.888296457284731
Energy: 0.8867642264087005
Energy: 0.7658419130754281
Energy: 0.8857715782087127
Energy: 0.9111212030615302
Energy: 0.8992919052736884
Energy: 0.7735461069747767
Energy: 0.7748812061978558
Energy: 0.7685963337828157
Energy: 0.7763657101536833
Energy: 0.9148511448762884
Energy: 1.1580411644424389
Energy: 0.8928745739379724
Energy: 0.8473624344431349
Energy: 0.8901037530430583
Energy: 0.7175087610343421
Energy: 0.7132486715923345
Energy: 1.044093189413167
Energy: 0.8247981026554191
Energy: 0.8295338067337583
Energy: 1.0432335635600554
Energy: 0.7601077157841115
Energy: 0.7787421718394725
Energy: 0.8384023350119569
Energy: 0.7120506676154649
Energy: 0.7125530180360135
Energy: 0.7111108327650543
Energy: 0.7104465728782651
Energy: 0.7131934846177813
Energy: 0.819848554535911
Energy: 0.7216466340377378
Energy: 0.7212648041197167
Energy: 0.7151563770321985
Energy: 0.7128814770045898
Energy: 0.7192839874273491
Energy: 1.0385496617262524
Energy: 0.7095998555735242
Energy: 0.7138846203407622
Energy: 0.9240970080670011
Energy: 0.7095037383121544
Energy: 0.7153720432754298
Energy: 0.8022072271393995
Energy: 0.691200333134846
Energy: 0.6931818140708288
Energy: 0.7026945677690808
Energy: 0.6910036929172717
Energy: 0.6917979879033482
Energy: 0.8036841062924478
Energy: 0.6987570942649046
Energy: 0.7025776431084341
Energy: 0.6889357003853964
Energy: 0.6914946960754775
Energy: 0.7036899698781588
Energy: 0.7998920706470529
Energy: 0.7005342128730877
Energy: 0.7003913948148295
Energy: 0.6901229713945288
Energy: 0.6975822772923279
Energy: 0.6996921526199753
Energy: 0.9492386691892721
Energy: 0.7551970784248762
Energy: 0.74925227579649
Energy: 0.9307690803976282
Energy: 0.7479308187567537
Energy: 0.752940399319648
Energy: 0.7921049072359416
Energy: 0.8553163040856376
Energy: 1.014302951098057
Energy: 0.7362644401816708
Energy: 0.6966833924245807
Energy: 0.7259249294656815
Energy: 1.033891493341042
Energy: 0.8426920933309907
Energy: 1.0362078420749918
Energy: 0.792012399778755
Energy: 0.8408906192977058
Energy: 1.0341890681954409

minimum gb energy = 0.6842089818014607 eV
minimum distance =  2.35456280236069 Angstroms
sigma value = 57


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

Energy: 1.0388176038499335
Energy: 0.7649808619665713
Energy: 0.7663377436194905
Energy: 0.8575084840976916
Energy: 1.0525719349929097
Energy: 0.7267648082929973
Energy: 0.7272480399747349
Energy: 0.6613414704228379
Energy: 0.6745231293317694
Energy: 0.6512767000099884
Energy: 0.6607717835547722
Energy: 0.6611661862375485
Energy: 0.7738781283612856
Energy: 0.6487388039778933
Energy: 0.6487195467989765
Energy: 0.6871155003840341
Energy: 0.6473575392173888
Energy: 0.6483693097356492
Energy: 0.8393235846941227
Energy: 0.6435843525415936
Energy: 0.6440162649239937
Energy: 0.6581132589117219
Energy: 0.6421640874768434
Energy: 0.6602718749795228
Energy: 0.7358054697503399
Energy: 0.6489530207574117
Energy: 0.6497169880663852
Energy: 0.6455164506083013
Energy: 0.6477197478361452
Energy: 0.6467084308056099
Energy: 0.7449029306213396
Energy: 0.6413070082157686
Energy: 0.6456629789869064
Energy: 0.6442592709443675
Energy: 0.649553133042134
Energy: 0.6471077223392571
Energy: 0.7340401071860135
Energy: 0.6600997848983812
Energy: 0.65956016901073
Energy: 0.6605428913568414
Energy: 0.6603337690542673
Energy: 0.6604259091666175
Energy: 0.7645674369520199
Energy: 0.686987352849804
Energy: 0.6863379735533341
Energy: 0.6718337039686161
Energy: 0.7004382940156488
Energy: 0.7012929020938031
Energy: 0.8531206002434051
Energy: 0.6726114220519088
Energy: 0.6766009879500917
Energy: 0.6518940363180359
Energy: 0.6718576590403739
Energy: 0.6775306974408892
Energy: 0.830728224184506
Energy: 0.712354559074363
Energy: 0.7125680827758283
Energy: 0.7442852426650607
Energy: 0.7121371446102363
Energy: 0.711720800723173
Energy: 0.8139236114468694
Energy: 0.7118776130088063
Energy: 0.6719342899169283
Energy: 0.7333895540849482
Energy: 0.6835828435856774
Energy: 0.7427968539976573
Energy: 0.7295486118336235
Energy: 0.671958722717729
Energy: 0.666849441316685
Energy: 0.6542165250753378
Energy: 0.6803566802283492
Energy: 0.7360109570468194
Energy: 0.8593123590229863
Energy: 0.6702447405372361
Energy: 0.7312631952365442
Energy: 0.7308221354913169
Energy: 0.6889147378152677
Energy: 0.7326103440518285
Energy: 0.8760051891559674
Energy: 0.6597876860911088
Energy: 0.660620828613287
Energy: 0.6582712743767267
Energy: 0.6519297637053982
Energy: 0.6612558556951372
Energy: 0.7716578207913377
Energy: 0.6447947362538189
Energy: 0.643550435910116
Energy: 0.6844324339858935
Energy: 0.6452727855951181
Energy: 0.6678150957614305
Energy: 0.8407859760435891
Energy: 0.6597656030349689
Energy: 0.660579614899223
Energy: 0.6594326799284285
Energy: 0.6603643260197168
Energy: 0.6610337249940539
Energy: 0.7683515688139269
Energy: 0.6490838049063196
Energy: 0.6433971984650012
Energy: 0.6453923929081048
Energy: 0.6465580145953296
Energy: 0.6430151291886045
Energy: 0.7727387657510013
Energy: 0.647538737084417
Energy: 0.6473795909093252
Energy: 0.6503660284037436
Energy: 0.646246806201745
Energy: 0.6479654698508116
Energy: 0.7983313223015834
Energy: 0.6695695891100898
Energy: 0.6886436763535887
Energy: 0.6602097128324979
Energy: 0.7007562253114419
Energy: 0.6756666277147789
Energy: 0.8000069996413246
Energy: 0.6711989410332648
Energy: 0.6752867287530717
Energy: 0.6713480862001556
Energy: 0.6756186894802353
Energy: 0.6761500258550046
Energy: 0.8572911731051281
Energy: 0.6767601631154614
Energy: 0.6776856719271199
Energy: 0.660887161729404
Energy: 0.6761806168019648
Energy: 0.6776069472165058
Energy: 1.0701693517333761
Energy: 0.7352316159778317
Energy: 0.7342360373565149
Energy: 1.0869902588604803
Energy: 0.7343239548966942
Energy: 0.7374410981865163
Energy: 0.8730880697366032
Energy: 0.6764704471254849
Energy: 0.6779862677734458
Energy: 0.6605172815370517
Energy: 0.6742361995038623
Energy: 0.6715826410796232
Energy: 0.8616097225336196
Energy: 0.6717879012596977
Energy: 0.7319948004781346
Energy: 0.7298305124917754
Energy: 0.7055133399408609
Energy: 0.7522808024874005

minimum gb energy = 0.6413070082157686 eV
minimum distance =  2.37563429171967 Angstroms
sigma value = 17


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

Energy: 1.0217915375051603
Energy: 0.5516801517848592
Energy: 0.5522649661782397
Energy: 0.6625748409102947
Energy: 0.9247473987474722
Energy: 0.662332792707927
Energy: 0.7117119414316542
Energy: 0.626196774239521
Energy: 0.6294309630010909
Energy: 0.784382627569937
Energy: 0.6289080476939888
Energy: 0.6297452472854624
Energy: 0.7134018509540735
Energy: 0.6060841895278292
Energy: 0.6056326945193002
Energy: 0.6406743165952544
Energy: 0.6059630675924194
Energy: 0.604988499881049
Energy: 0.8387326444642632
Energy: 0.6048034149643942
Energy: 0.6057415163751202
Energy: 0.6374618054787549
Energy: 0.6293533322035424
Energy: 0.6213056689612383
Energy: 0.8467052238122447
Energy: 0.5913875639025494
Energy: 0.5913970224210808
Energy: 0.6081715484877458
Energy: 0.6046740573130741
Energy: 0.5943767218093358
Energy: 0.7524488582110597
Energy: 0.5962753473604505
Energy: 0.5962196709508957
Energy: 0.6110139208632822
Energy: 0.5955810149997292
Energy: 0.5997799373884642
Energy: 0.8432930739286939
Energy: 0.5993772693781145
Energy: 0.5946231196482293
Energy: 0.6005716423045454
Energy: 0.595756228105212
Energy: 0.5945337667017006
Energy: 0.6978590866071797
Energy: 0.5936214337822932
Energy: 0.5979121617490375
Energy: 0.594456903850475
Energy: 0.5931594476570062
Energy: 0.7607400953632244
Energy: 0.665583229159883
Energy: 0.5923082981211808
Energy: 0.591587697064438
Energy: 0.5969171233930793
Energy: 0.5920411177425039
Energy: 0.5913068957770441
Energy: 0.687954672522501
Energy: 0.5977070256291434
Energy: 0.5999145346266728
Energy: 0.5923482349217871
Energy: 0.5949580216893751
Energy: 0.5962450632382528
Energy: 0.6829970268331685
Energy: 0.5910657208263177
Energy: 0.591526353132153
Energy: 0.6047770778427073
Energy: 0.5922879890205559
Energy: 0.5909857066806472
Energy: 0.9340269055088508
Energy: 0.6326766657520174
Energy: 0.6331243750105501
Energy: 0.6224922529219991
Energy: 0.5978540271830501
Energy: 0.6481612649287042
Energy: 0.7605741619443398
Energy: 0.607978438082181
Energy: 0.6094270713702377
Energy: 0.6179891941135852
Energy: 0.5267515594883704
Energy: 0.6097371730695601
Energy: 0.8414443196253168
Energy: 0.6063526109734434
Energy: 0.6428288648891166
Energy: 0.626974355726383
Energy: 0.6065317326579016
Energy: 0.6342357927988308
Energy: 1.103943527485009
Energy: 0.6675562505123911
Energy: 0.6518932086781942
Energy: 0.7968939434249741
Energy: 0.6554163668219977
Energy: 0.6585006921225167
Energy: 0.8389480859002253
Energy: 0.6047705540645651
Energy: 0.6255482140265607
Energy: 0.7721486199062783
Energy: 0.6041349332601705
Energy: 0.6332747261943126
Energy: 0.9246567511758838
Energy: 0.6027706335791679
Energy: 0.6455590991436663
Energy: 0.6507238193369745
Energy: 0.6007254448595714
Energy: 0.6424409463542047

minimum gb energy = 0.5267515594883704 eV
minimum distance =  2.37031953521091 Angstroms
sigma value = 17


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

Energy: 1.0272885660556488
Energy: 0.6354527130719677
Energy: 0.616873889604701
Energy: 0.5999116994115452
Energy: 0.9652652278695425
Energy: 0.6172277501890924
Energy: 1.1361469927522507
Energy: 0.6037786313953655
Energy: 0.6091320497112074
Energy: 0.7833113169938646
Energy: 0.6025219352055594
Energy: 0.6103851893517526
Energy: 0.8797512587599824
Energy: 0.5580960425913599
Energy: 0.5769505723676807
Energy: 0.761493865150164
Energy: 0.5575134553206567
Energy: 0.5765296165174167
Energy: 0.8898167097343491
Energy: 0.6090341792988098
Energy: 0.5777712439645692
Energy: 0.604783132690079
Energy: 0.5740164313893744
Energy: 0.5768416882727261
Energy: 0.9269314394686143
Energy: 0.5712336922768242
Energy: 0.5723863630999202
Energy: 0.5849845169807623
Energy: 0.5749357387880981
Energy: 0.5661777891021529
Energy: 0.6800889766073177
Energy: 0.5740250353925073
Energy: 0.5915141691428075
Energy: 0.5624917361888145
Energy: 0.5585212596721534
Energy: 0.5717156029109687
Energy: 0.9380184963582457
Energy: 0.5649736599549702
Energy: 0.5672382058941547
Energy: 0.5667800914057983
Energy: 0.5577423593198743
Energy: 0.5666588553912986
Energy: 0.6925884740381199
Energy: 0.5642327816271033
Energy: 0.5654260681571
Energy: 0.5668855869087012
Energy: 0.5603926190802065
Energy: 0.5649323250762384
Energy: 0.8042625932679465
Energy: 0.5671558140205571
Energy: 0.5509221900426476
Energy: 0.6972172350750537
Energy: 0.5685508833484292
Energy: 0.5591356040505634
Energy: 0.7654493226193092
Energy: 0.556062417469941
Energy: 0.5571815266475771
Energy: 0.5612831974704858
Energy: 0.5548003244139514
Energy: 0.5570195534274994
Energy: 0.80637430061215
Energy: 0.5576117003425832
Energy: 0.5597868011786393
Energy: 0.553590224359701
Energy: 0.5543871296484563
Energy: 0.5592752723811254
Energy: 0.8385241042752638
Energy: 0.5687439244341392
Energy: 0.5597925947652836
Energy: 0.5566815103980035
Energy: 0.5641186371613202
Energy: 0.5592123687328063
Energy: 0.6608686730927525
Energy: 0.5562259436124976
Energy: 0.5558277410944437
Energy: 0.5524823809489563
Energy: 0.5500763704622988
Energy: 0.5554421782918143
Energy: 0.8319574341495539
Energy: 0.5659363467042645
Energy: 0.5651857939099234
Energy: 0.5610552238891824
Energy: 0.5650995597376284
Energy: 0.5654318149940138
Energy: 0.8505987119933859
Energy: 0.5835964174566594
Energy: 0.5671281022453869
Energy: 0.5787305083936815
Energy: 0.5902017804921529
Energy: 0.5740846877528086
Energy: 0.8329883856145497
Energy: 0.5629416668403916
Energy: 0.5641734223163356
Energy: 0.5815330335881554
Energy: 0.5894161070919811
Energy: 0.5728271425105119
Energy: 0.7954216180467579
Energy: 0.5910928102008783
Energy: 0.5914530660373722
Energy: 0.567010247434196
Energy: 0.7758422849097419
Energy: 0.5740347894017858
Energy: 0.8488631871863407
Energy: 0.588715836792356
Energy: 0.5910299977077873
Energy: 0.5947059863992291
Energy: 0.5884337246734757
Energy: 0.5739573125785576
Energy: 0.9210651754152499
Energy: 0.59949433733213
Energy: 0.6084115303944418
Energy: 0.5737698201566921
Energy: 0.6031738391670589
Energy: 0.6086781814514299
Energy: 1.139710159138116
Energy: 0.6288990099737508
Energy: 0.6152991167461221
Energy: 0.7972180540092266
Energy: 0.5987424473625197
Energy: 0.625372141835801
Energy: 0.9447640131771237
Energy: 0.6050760623548777
Energy: 0.6083473792760384
Energy: 0.780187989004473
Energy: 0.605444963108896
Energy: 0.6102952350676182
Energy: 0.8040274175874712
Energy: 0.6169370818045979
Energy: 0.6294544397151794
Energy: 0.6095674089454712
Energy: 0.6158448782690746
Energy: 0.5970779649994478
Energy: 0.9039650721503698
Energy: 0.6110657379249993
Energy: 0.6100572848589563
Energy: 0.7355226501230373
Energy: 0.6134469023121696
Energy: 0.6395962665838107
Energy: 0.9361564684586117
Energy: 0.6094861826821774
Energy: 0.6075068430804403
Energy: 0.784973295713195
Energy: 0.5688724233120962
Energy: 0.6057633584662592
Energy: 0.8899940008230744
Energy: 0.568332425390307
Energy: 0.5786782274598522
Energy: 0.7573206262182156
Energy: 0.5584440985546624
Energy: 0.5785668385832261
Energy: 0.9201465967122604
Energy: 0.5743614469746505
Energy: 0.5751657991296066
Energy: 0.5731367077628247
Energy: 0.573246641291789
Energy: 0.563315843792543
Energy: 0.7816604398059869
Energy: 0.5619944469954901
Energy: 0.5814333911099866
Energy: 0.5552733125968707
Energy: 0.5753664473690814
Energy: 0.6033219713651485
Energy: 0.9097763659486984
Energy: 0.590173305004084
Energy: 0.5883498490269443
Energy: 0.5627395276344176
Energy: 0.5900844282450635
Energy: 0.5850840066431615
Energy: 0.6924694668256717
Energy: 0.5515302846084522
Energy: 0.5593672967549919
Energy: 0.5581681263514456
Energy: 0.5666275262381999
Energy: 0.5597391046550806
Energy: 0.7643103223035175
Energy: 0.5603353858021636
Energy: 0.5603218625171063
Energy: 0.5625059566877992
Energy: 0.5603023562233305
Energy: 0.5642465803265923
Energy: 0.8170239479776199
Energy: 0.5544979632877287
Energy: 0.5556344882336263
Energy: 0.6939480935903429
Energy: 0.5537526384805239
Energy: 0.5543094716002913
Energy: 0.6867566930398188
Energy: 0.5556131504783174
Energy: 0.5574482010391156
Energy: 0.5577227217372602
Energy: 0.5534787429308556
Energy: 0.5555723662468103
Energy: 0.8956438260293281
Energy: 0.5510098203246806
Energy: 0.5591719825337753
Energy: 0.563390148938182
Energy: 0.5798845202693392
Energy: 0.5592116100160331
Energy: 0.8975574252209202
Energy: 0.5645484539370893
Energy: 0.5631747306883969
Energy: 0.563609520792676
Energy: 0.5673926057754262
Energy: 0.5670068968454043
Energy: 0.8478228243156096
Energy: 0.562688720033553
Energy: 0.5627547804103489
Energy: 0.5853482408920054
Energy: 0.5628846514491364
Energy: 0.564590278767846
Energy: 0.8424559359166662
Energy: 0.56574593479051
Energy: 0.5649473928990489
Energy: 0.5784931918030906
Energy: 0.5661987560894179
Energy: 0.5593517574980822
Energy: 0.8348289396194929
Energy: 0.5638558936495579
Energy: 0.563401266222866
Energy: 0.5765684378466289
Energy: 0.5901593730726392
Energy: 0.5636623793955263
Energy: 0.8595215033221503
Energy: 0.5634057056004556
Energy: 0.5674717425861123
Energy: 0.5689286138145775
Energy: 0.5631040276250071
Energy: 0.5685754965677293
Energy: 0.7877928473796635
Energy: 0.6054961041348631
Energy: 0.598261310415674
Energy: 0.5777355143730885
Energy: 0.6075810682630627
Energy: 0.6001758468271433
Energy: 0.919589419086663
Energy: 0.6059244170045516
Energy: 0.6047446341821052
Energy: 0.5803596628109208
Energy: 0.6050460042210096
Energy: 0.5970028233474092
Energy: 0.8899938824503024
Energy: 0.579726120426335
Energy: 0.6122867950597422
Energy: 0.7620786068963937
Energy: 0.5799476833421732
Energy: 0.6114651543926195
Energy: 0.9402192956914124
Energy: 0.638196627552679
Energy: 0.6334275349685301
Energy: 0.7548935203770969
Energy: 0.5991064088945774
Energy: 0.6105470677439289
Energy: 0.9044675557292201
Energy: 0.5902141069199329
Energy: 0.5899014502440683
Energy: 0.746688476606203
Energy: 0.6106299230066254
Energy: 0.6517932548164546

minimum gb energy = 0.5500763704622988 eV
minimum distance =  2.36890794171754 Angstroms
sigma value = 57


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

Energy: 0.7367885958658011
Energy: 0.606268598751105
Energy: 0.5750786834833014
Energy: 0.5595736769024238
Energy: 0.9435755231989286
Energy: 0.5606250215353099
Energy: 1.0555919288420454
Energy: 0.6799363258635416
Energy: 0.5773363547327227
Energy: 0.6672699648031465
Energy: 0.6864826556527537
Energy: 0.5738537314757153
Energy: 0.8651579026625936
Energy: 0.5322051430005227
Energy: 0.5319536597710912
Energy: 0.6829899331090418
Energy: 0.5350299137576626
Energy: 0.546467197139787
Energy: 0.901617453133274
Energy: 0.532657601532946
Energy: 0.5476306675530733
Energy: 0.8169557420002308
Energy: 0.5608137770791088
Energy: 0.5466565134908263
Energy: 0.8453951990803701
Energy: 0.5451689276292865
Energy: 0.5417902664460148
Energy: 0.650085726610332
Energy: 0.5448939182516053
Energy: 0.5414480072974833
Energy: 0.729515793650102
Energy: 0.5392051495567023
Energy: 0.5247394613357367
Energy: 0.5201847817078138
Energy: 0.5393787938949131
Energy: 0.5242254149634746
Energy: 0.8712156000806884
Energy: 0.7909217241592874
Energy: 0.5182394368276564
Energy: 0.5358915100538958
Energy: 0.7904173885284415
Energy: 0.5251007460067517
Energy: 0.6874931541482344
Energy: 0.5168447528690651
Energy: 0.5154927750703817
Energy: 0.5350307042804765
Energy: 0.5174327296470715
Energy: 0.5184413802342869
Energy: 0.7625032520991967
Energy: 0.5347767579146688
Energy: 0.5295955885577287
Energy: 0.7635566446583194
Energy: 0.5271161011606991
Energy: 0.5320591602332482
Energy: 0.7781318155731128
Energy: 0.5187961811437213
Energy: 0.5194936092390546
Energy: 0.7160606079388914
Energy: 0.535074598056891
Energy: 0.5193518367685519
Energy: 0.7948690167900211
Energy: 0.5110667385275668
Energy: 0.5102118591562642
Energy: 0.5128565255605789
Energy: 0.5406463361016465
Energy: 0.5103111952455249
Energy: 0.7979988245832
Energy: 0.5202332034183269
Energy: 0.5289671696344631
Energy: 0.664236142986066
Energy: 0.633798962187826
Energy: 0.5296110471213349
Energy: 0.8002234822302715
Energy: 0.633103947776124
Energy: 0.5184443770885705
Energy: 0.5160426699716049
Energy: 0.5197214374410606
Energy: 0.5204368687945568
Energy: 0.741276178797051
Energy: 0.5211594050349501
Energy: 0.5219049069397759
Energy: 0.7430966533317968
Energy: 0.6603396200630425
Energy: 0.5247048926213551
Energy: 0.713425709533646
Energy: 0.5187728763630761
Energy: 0.5180833584060517
Energy: 0.5229633130354777
Energy: 0.5182354070503633
Energy: 0.5334367547287003
Energy: 0.8227440520517975
Energy: 0.5182243223172358
Energy: 0.5168810597685773
Energy: 0.5257643757832784
Energy: 0.6891446042638587
Energy: 0.5176293537016475
Energy: 0.8023324693965894
Energy: 0.5241607772687582
Energy: 0.5292156129807728
Energy: 0.5169386516028692
Energy: 0.5376359529087422
Energy: 0.5237872883544441
Energy: 0.7736001905947558
Energy: 0.530682563764766
Energy: 0.5300512175784552
Energy: 0.6339309919970609
Energy: 0.5179944994779702
Energy: 0.5254162991606949
Energy: 0.8104204685364074
Energy: 0.5340263352054055
Energy: 0.5292578009663393
Energy: 0.7910887346286464
Energy: 0.5475621343877712
Energy: 0.5307383892009963
Energy: 0.7912778084317886
Energy: 0.5495085215016348
Energy: 0.5422348658462907
Energy: 0.5403857262217708
Energy: 0.5471462202434931
Energy: 0.5460282803265507
Energy: 0.9786374004535495
Energy: 0.5374000553468921
Energy: 0.5396448796073177
Energy: 0.5452796290306395
Energy: 0.6416714416395362
Energy: 0.5483222614694244
Energy: 0.7729325257745651
Energy: 0.5644088952887362
Energy: 0.5410873502726895
Energy: 0.5305497271003473
Energy: 0.680200840625642
Energy: 0.5430801170312546
Energy: 0.9170351724391451
Energy: 0.5783718884664606
Energy: 0.5714398741717088
Energy: 0.5411109181077024
Energy: 0.5826061985158403
Energy: 0.5654507778625244
Energy: 0.9583194793164648
Energy: 0.5425497997662604
Energy: 0.5806430279520216
Energy: 0.546485927146441
Energy: 0.5489638924184996
Energy: 0.5792701330183049
Energy: 0.9660378276226312
Energy: 0.5490746868903266
Energy: 0.557397213800896
Energy: 0.5905046874341215
Energy: 0.5494095717795605
Energy: 0.5774216361920995
Energy: 0.9107961480833369
Energy: 0.5801222353619264
Energy: 0.5769507571395667
Energy: 0.6623391201877987
Energy: 0.5800670542339756
Energy: 0.5731884055674638
Energy: 0.7385586817196276
Energy: 0.5913784249507168
Energy: 0.5613291776712898
Energy: 0.537295273431276
Energy: 0.5794972614730307
Energy: 0.5614889456945974

minimum gb energy = 0.5102118591562642 eV
minimum distance =  2.3997464600494 Angstroms
sigma value = 43


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

Energy: 0.7774087444930771
Energy: 0.5433678063246504
Energy: 0.5089741697888828
Energy: 0.48496945389630947
Energy: 0.7919864670903809
Energy: 0.48774385138298615
Energy: 0.8855997739839132
Energy: 0.5824473551589591
Energy: 0.5753496139661891
Energy: 0.5532514612407191
Energy: 0.46739259160009194
Energy: 0.5144270176120002
Energy: 0.9220153282755178
Energy: 0.4483547394910002
Energy: 0.4748634596189002
Energy: 0.5377367842811973
Energy: 0.4616507617644225
Energy: 0.47558705349373753
Energy: 0.7512721622987191
Energy: 0.4735879265508635
Energy: 0.4758759762431439
Energy: 0.535939940190361
Energy: 0.5878023254542449
Energy: 0.4818208667377145
Energy: 0.7174601258560457
Energy: 0.4627134872123975
Energy: 0.46362747946057165
Energy: 0.4377524118962942
Energy: 0.46221319346054973
Energy: 0.4650252289644769
Energy: 0.61707646205438
Energy: 0.46191793387974833
Energy: 0.4547817363634657
Energy: 0.45179834124120993
Energy: 0.46299615655686055
Energy: 0.44716516338862244
Energy: 0.739707428574707
Energy: 0.6408831718499047
Energy: 0.6395646852089981
Energy: 0.45037955330779433
Energy: 0.5366135745296233
Energy: 0.45041151244098643
Energy: 0.8229446141265776
Energy: 0.44469894589690145
Energy: 0.4384091805351963
Energy: 0.44972848443621405
Energy: 0.445123195801075
Energy: 0.44999402928307997
Energy: 0.6648730547139351
Energy: 0.46601642296721396
Energy: 0.5159929287383623
Energy: 0.6398721022885694
Energy: 0.43502247265816407
Energy: 0.4512609120272935
Energy: 0.6721249026369238
Energy: 0.4425101526562758
Energy: 0.4422181976904477
Energy: 0.5224240107078438
Energy: 0.44245732388077175
Energy: 0.4410536496328884
Energy: 0.6490091618269658
Energy: 0.43322525309448773
Energy: 0.44548143404035145
Energy: 0.43916697941993843
Energy: 0.46138743857347814
Energy: 0.4446979185840718
Energy: 0.6716755872376204
Energy: 0.6126168902754064
Energy: 0.5279350956500151
Energy: 0.4461266252637042
Energy: 0.589759663838517
Energy: 0.43056818192546253
Energy: 0.5671076644965493
Energy: 0.5209577734093686
Energy: 0.5275777264113725
Energy: 0.4461013438406936
Energy: 0.510714310492618
Energy: 0.5266763366888763
Energy: 0.6142007639216016
Energy: 0.5134553009699889
Energy: 0.48762278423713085
Energy: 0.6153284958635389
Energy: 0.5570191306282877
Energy: 0.45306268632476787
Energy: 0.6174059928628102
Energy: 0.43010211046182145
Energy: 0.42964406982754727
Energy: 0.5785746371834921
Energy: 0.43088859842189314
Energy: 0.4306962304001407
Energy: 0.6462801487445957
Energy: 0.5112543749922538
Energy: 0.5142673858180353
Energy: 0.43072042677527034
Energy: 0.584597615491215
Energy: 0.515869205787584
Energy: 0.6463045641745941
Energy: 0.5822613690910008
Energy: 0.5138384775884501
Energy: 0.5510741722538229
Energy: 0.5792655990911829
Energy: 0.5150339502332433
Energy: 0.5442784306125319
Energy: 0.5114606855167189
Energy: 0.434581744691456
Energy: 0.5748448225575149
Energy: 0.5128895666345646
Energy: 0.43383192228209405
Energy: 0.6059669716881761
Energy: 0.5347346641279385
Energy: 0.5678964947846831
Energy: 0.6063057534500323
Energy: 0.6616136734908636
Energy: 0.5817499539419525
Energy: 0.5519137871345956
Energy: 0.5200534296372945
Energy: 0.4895036024060111
Energy: 0.5752425001293081
Energy: 0.5203506647618811
Energy: 0.4379746162463813
Energy: 0.6532669307250588
Energy: 0.5898690475580508
Energy: 0.5216898015780275
Energy: 0.43601873034723265
Energy: 0.5785434092166034
Energy: 0.4374996007930497
Energy: 0.6548026848835166
Energy: 0.4340954451525761
Energy: 0.5185178116951258
Energy: 0.43188422046719777
Energy: 0.5931388415323454
Energy: 0.43649892840129695
Energy: 0.6388525440819195
Energy: 0.4304658157673471
Energy: 0.4317023203710885
Energy: 0.5894267836333993
Energy: 0.4373625786392214
Energy: 0.4316397831111013
Energy: 0.63192794621796
Energy: 0.4866329398982486
Energy: 0.4464664307888852
Energy: 0.6081455371865754
Energy: 0.4528261205321362
Energy: 0.4541602472295305
Energy: 0.5876561275683053
Energy: 0.4803415023342022
Energy: 0.44527933113687246
Energy: 0.447605600004345
Energy: 0.43751532184182523
Energy: 0.4389167784417373
Energy: 0.6988689895590277
Energy: 0.6345765538236847
Energy: 0.5994492585321642
Energy: 0.4475493927537286
Energy: 0.6078200178690563
Energy: 0.44417995922871306
Energy: 0.6348206316073713
Energy: 0.44612202757449093
Energy: 0.44607350330326506
Energy: 0.44418492462978776
Energy: 0.4462789127313702
Energy: 0.44747480746006
Energy: 0.6828695938056097
Energy: 0.45056309201552075
Energy: 0.45125132004908525
Energy: 0.561677825038784
Energy: 0.451366425264745
Energy: 0.45027133497711264
Energy: 0.7111290496233772
Energy: 0.4765299760782112
Energy: 0.6127944923486189
Energy: 0.6831777921414997
Energy: 0.46636030030946435
Energy: 0.4645771000969025
Energy: 0.8468947713957793
Energy: 0.4471113176314514
Energy: 0.44931803572780415
Energy: 0.46232833099896015
Energy: 0.45325486799777814
Energy: 0.454694827102388
Energy: 0.8267330274490713
Energy: 0.5474304217292554
Energy: 0.6387651837121168
Energy: 0.46431306722811994
Energy: 0.584552874022681
Energy: 0.46568212552014504
Energy: 0.6234232672638057
Energy: 0.4923934468801003
Energy: 0.4782306165678198
Energy: 0.45992385062073543
Energy: 0.4924970318066367
Energy: 0.4621597406254123
Energy: 0.747685405328506
Energy: 0.49438879266968755
Energy: 0.49506194887842064
Energy: 0.4553807391070283
Energy: 0.49431980165230316
Energy: 0.5764383072714292
Energy: 0.8150742615431501
Energy: 0.49292672945071725
Energy: 0.4927852737348464
Energy: 0.4621589928221064
Energy: 0.5756721490344888
Energy: 0.5132215249831454
Energy: 0.9224757496567081
Energy: 0.4720836740538434
Energy: 0.49315245719235
Energy: 0.5376076845063475
Energy: 0.47690614647452256
Energy: 0.49260087420161225
Energy: 0.8855998205061213
Energy: 0.494646283849804
Energy: 0.49476965203322393
Energy: 0.5604751000887854
Energy: 0.4944582274773704
Energy: 0.5776851108183767

minimum gb energy = 0.42964406982754727 eV
minimum distance =  2.38326564476721 Angstroms
sigma value = 81


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

Energy: 0.34890127945927957
Energy: 0.432022164255719
Energy: 0.017095648774493398
Energy: 0.01903343172006104
Energy: 0.6277061914950924
Energy: 0.34946869236994843
Energy: 0.3885156280756018
Energy: 0.7405985205277038
Energy: 0.7878308487029283
Energy: 0.7674662691254396
Energy: 0.8145161777955281
Energy: 0.6443587407633088
Energy: 0.6364702632906429
Energy: 0.017215987890429576
Energy: 0.017346223108473252
Energy: 0.7244110186253685
Energy: 0.017092618272396824
Energy: 0.05711028441550235
Energy: 0.6960440760563485
Energy: 0.01732966132275272
Energy: 0.01904032843246203
Energy: 0.7597261544959462
Energy: 0.01718885911976621
Energy: 0.057209729027658376
Energy: 0.05780928748213354
Energy: 0.719882346195777
Energy: 0.8029249816645242
Energy: 0.05826779062387997
Energy: 0.6879723578591825
Energy: 0.7199276980050082
Energy: 0.0180623283168708
Energy: 0.713724240012413
Energy: 0.018642372913308922
Energy: 0.01931482269051499
Energy: 0.7146285537839531
Energy: 0.017220666604474334
Energy: 0.7299940258232198
Energy: 0.7193322040619496
Energy: 0.6835508772450365
Energy: 0.7845655173409009
Energy: 0.6879902370191899
Energy: 0.8004460101895959
Energy: 0.6391889006914928
Energy: 0.01711135035315134
Energy: 0.01742846090681608
Energy: 0.7954548468938469
Energy: 0.0170632061247852
Energy: 0.018457336544957542
Energy: 0.6403789185654462
Energy: 0.017111011633192653
Energy: 0.05682728211707984
Energy: 0.6981655798418939
Energy: 0.017181422175990273
Energy: 0.05852328689813166
Energy: 0.3499649804753844
Energy: 0.6788331196642796
Energy: 0.8248620404505101
Energy: 0.018597949437305947
Energy: 0.8235398794540376
Energy: 0.7650881957816594

minimum gb energy = 0.0170632061247852 eV
minimum distance =  2.37032408480653 Angstroms
sigma value = 3


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

Energy: 0.5168733950829816
Energy: 0.6093720012338925
Energy: 0.7283309893592012
Energy: 0.5042477801442189
Energy: 0.5742836426075637
Energy: 0.6771267827712719
Energy: 0.6927211469536592
Energy: 0.6654161986027132
Energy: 0.6629404707435067
Energy: 0.6297389595968357
Energy: 0.6622175304423116
Energy: 0.5715106384662206
Energy: 0.7116103446883856
Energy: 0.5362473165844571
Energy: 0.5210781030230498
Energy: 0.6306596841853539
Energy: 0.543553564774134
Energy: 0.5502265520250457
Energy: 0.6644314689717413
Energy: 0.5225087354383984
Energy: 0.5229192103442878
Energy: 0.6335672227423509
Energy: 0.525883738753936
Energy: 0.5500447166512744
Energy: 0.564330713825556
Energy: 0.5774219603827192
Energy: 0.5774452687001251
Energy: 0.5419760113633164
Energy: 0.6338966001190773
Energy: 0.5774343811228174
Energy: 0.5510744855164963
Energy: 0.5797878457438331
Energy: 0.5509122454462122
Energy: 0.5774403277436059
Energy: 0.5824705485603304
Energy: 0.529707668624255
Energy: 0.672181783431682
Energy: 0.5521578748026232
Energy: 0.5644787714222723
Energy: 0.675580264291735
Energy: 0.5748256680940622
Energy: 0.5958894419008317
Energy: 0.6644969944484029
Energy: 0.5560573537400328
Energy: 0.5543005974787181
Energy: 0.6646268302570497
Energy: 0.5093352509028497
Energy: 0.5510598834137515
Energy: 0.6008171311270547
Energy: 0.5521844845517958
Energy: 0.5752038646310875
Energy: 0.5827593350717581
Energy: 0.5482585082508022
Energy: 0.5792629125831461
Energy: 0.587813791279649
Energy: 0.6225383224763305
Energy: 0.5734885506096489
Energy: 0.5720684351601476
Energy: 0.6202768587558838
Energy: 0.5651474490284096
Energy: 0.5673067323473844
Energy: 0.5676677825266065
Energy: 0.5672128348734125
Energy: 0.5319652543956743
Energy: 0.5687592729907992
Energy: 0.5558164433416971
Energy: 0.5937121347835767
Energy: 0.5697345072391705
Energy: 0.5856300773074514
Energy: 0.5951351202674519
Energy: 0.5776641007785642
Energy: 0.557524362951334
Energy: 0.5881126523276716
Energy: 0.5103368906533923
Energy: 0.5748282228119822
Energy: 0.5885750535751529
Energy: 0.5243887180530384
Energy: 0.5579573351677257
Energy: 0.5717572376557225
Energy: 0.5293605209370019
Energy: 0.5126797691774634
Energy: 0.55941965139224
Energy: 0.5260467786988309
Energy: 0.5548763675661508
Energy: 0.5724858090794869
Energy: 0.5341837468350298
Energy: 0.5325574378255874
Energy: 0.5644848044633226
Energy: 0.5426995876596552
Energy: 0.5554955578950649
Energy: 0.5708795680742869
Energy: 0.5503255053508421
Energy: 0.5516892134722204
Energy: 0.5279221092058658
Energy: 0.5798583736847089
Energy: 0.5611120496333276
Energy: 0.5164826357482986
Energy: 0.5549897189805788
Energy: 0.5611198985501713
Energy: 0.5163837880883559
Energy: 0.5514220848434913
Energy: 0.5433404870128165
Energy: 0.5165680072728993
Energy: 0.5221029355420167
Energy: 0.5501091493839195
Energy: 0.5160795021404335
Energy: 0.5703256539368166
Energy: 0.5518274450129314
Energy: 0.5681412078186178
Energy: 0.5349009406027989
Energy: 0.40914655298159824
Energy: 0.5696207080468252
Energy: 0.5354434037963729
Energy: 0.5363364312714124
Energy: 0.5777803342517075
Energy: 0.5230548881896766
Energy: 0.5224477441747946
Energy: 0.5722569751902806
Energy: 0.5198897126628974
Energy: 0.5211044749736722
Energy: 0.5766231887349994
Energy: 0.5236102656466983
Energy: 0.5627244731962487
Energy: 0.5742850174629129
Energy: 0.5652658307392945
Energy: 0.5535254566795094
Energy: 0.5452706279054474
Energy: 0.5573740028773776
Energy: 0.5556037520464028
Energy: 0.5453108475476234
Energy: 0.5409886898582457
Energy: 0.5408910307847198
Energy: 0.5439689779082987
Energy: 0.5531617786843643
Energy: 0.5542640587238468
Energy: 0.5446946657770733
Energy: 0.5916220348787496
Energy: 0.5716401156351848
Energy: 0.570087347586618
Energy: 0.5893712474577216
Energy: 0.589885511347879
Energy: 0.5853059739911717
Energy: 0.58908243782605
Energy: 0.5537510586049461
Energy: 0.5937194265225854
Energy: 0.5722874210502329
Energy: 0.5545997837701951
Energy: 0.5762979263885961
Energy: 0.5734091532806523
Energy: 0.5586588071787943
Energy: 0.5904538179062626
Energy: 0.5568962126767065
Energy: 0.5771344547785302
Energy: 0.5701774078077242
Energy: 0.5379807134244161
Energy: 0.570134043414399
Energy: 0.6208450678063754
Energy: 0.5629232339858449
Energy: 0.5606579129887104
Energy: 0.6206912291599485
Energy: 0.5673941582508023
Energy: 0.5643278789821962
Energy: 0.5714546140939287
Energy: 0.5397097711508032
Energy: 0.5687323116417082
Energy: 0.5717753572242269
Energy: 0.5395873046573955
Energy: 0.5689323921146212
Energy: 0.5616265241680543
Energy: 0.6647086414401271
Energy: 0.5909817687299322
Energy: 0.5199657276776855
Energy: 0.6931249151969381
Energy: 0.5457096957507648
Energy: 0.5990478570510861
Energy: 0.6120345923579475
Energy: 0.5817778758826337
Energy: 0.5997253685118065
Energy: 0.6692401772103631
Energy: 0.608228365353696
Energy: 0.5887182928352346
Energy: 0.5496243424340578
Energy: 0.535724114097468
Energy: 0.5779107738528503
Energy: 0.5030083345385516
Energy: 0.5361514919007014
Energy: 0.7115022406701806
Energy: 0.5473244155059216
Energy: 0.5648079256306175
Energy: 0.6314436109784798
Energy: 0.536552178155733
Energy: 0.5788080954894572
Energy: 0.5804415030880644
Energy: 0.6330662186982069
Energy: 0.6297699252205988
Energy: 0.5763075989747817
Energy: 0.633538246644134
Energy: 0.5633932320544003

minimum gb energy = 0.40914655298159824 eV
minimum distance =  2.36827541650417 Angstroms
sigma value = 67


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

Energy: 0.7473907882737845
Energy: 0.7439486934954526
Energy: 0.7155707949314034
Energy: 0.7118730774469374
Energy: 0.7126540112646806
Energy: 0.949588634383774
Energy: 0.8806614687939733
Energy: 0.8172689487921806
Energy: 0.8229399997505347
Energy: 0.8136425191440315
Energy: 0.8175079868054281
Energy: 0.7227361501875248
Energy: 0.9173968780997221
Energy: 0.7088152481078962
Energy: 0.7108132323417881
Energy: 0.799395338105586
Energy: 0.7043563084388127
Energy: 0.6976564100829556
Energy: 0.80652610092606
Energy: 0.7411820044022711
Energy: 0.7213602043558099
Energy: 0.8079935828427144
Energy: 0.6822840008497761
Energy: 0.6991146179535789
Energy: 0.8482975412765578
Energy: 0.7380244851878063
Energy: 0.7404899996659456
Energy: 0.8507967437889021
Energy: 0.8120342859236764
Energy: 0.7104262623214205
Energy: 0.7023255858782465
Energy: 0.7086109330748971
Energy: 0.6986419381746584
Energy: 0.7202281696796676
Energy: 0.7075002396579361
Energy: 0.7219655405003073
Energy: 0.8441003339809013
Energy: 0.7388171539447178
Energy: 0.7136617085488246
Energy: 0.8449256732129329
Energy: 0.7366602211413823
Energy: 0.7181196559872757
Energy: 0.8440876923870817
Energy: 0.7020601961575432
Energy: 0.6984025091862534
Energy: 0.8435523909207812
Energy: 0.7045265476508475
Energy: 0.7267962461789355
Energy: 0.7352075566350292
Energy: 0.7217628451726885
Energy: 0.725332131531937
Energy: 0.7250613766561544
Energy: 0.7646327171368276
Energy: 0.7166573713330607
Energy: 0.7352551273252331
Energy: 0.7545148333635877
Energy: 0.7287188543351611
Energy: 0.727730680790822
Energy: 0.7969619159364405
Energy: 0.7245338719263553
Energy: 0.7207006360367577
Energy: 0.7025873839857742
Energy: 0.7033130856951039
Energy: 0.7092857614938807
Energy: 0.7014206247560775
Energy: 0.7030543466826186
Energy: 0.745837455666832
Energy: 0.7148103689527449
Energy: 0.7352395266547426
Energy: 0.7477909445966109
Energy: 0.7137450160269425
Energy: 0.6991097970933167
Energy: 0.7752234875690625
Energy: 0.7061682242224802
Energy: 0.7246987069334289
Energy: 0.7740400551440084
Energy: 0.7117719127646521
Energy: 0.701326684293646
Energy: 0.7142161556246196
Energy: 0.706672958185305
Energy: 0.7019796464815284
Energy: 0.7094692648653681
Energy: 0.7129839544528455
Energy: 0.7058856012562256
Energy: 0.7265557556843024
Energy: 0.7439002858977608
Energy: 0.7186336452055276
Energy: 0.7097748916407285
Energy: 0.7442454733574365
Energy: 0.7162423045031678
Energy: 0.729072250859367
Energy: 0.7063579727023943
Energy: 0.7273715413092912
Energy: 0.7072140264213589
Energy: 0.7243533821109188
Energy: 0.7119514231679469
Energy: 0.7894505969688115
Energy: 0.6984560484701573
Energy: 0.692863589376071
Energy: 0.7895196285993835
Energy: 0.6998875114122428
Energy: 0.710335536875758
Energy: 0.7689903499567049
Energy: 0.7356092579330535
Energy: 0.7171900447626227
Energy: 0.7710652630690659
Energy: 0.7344981467002998
Energy: 0.7142114787206008
Energy: 0.7059101616253677
Energy: 0.7151644227883567
Energy: 0.7062388064917681
Energy: 0.7174278201899004
Energy: 0.8172257096308202
Energy: 0.7092928014652148
Energy: 0.7802023890258116
Energy: 0.7257959775388049
Energy: 0.7366591496715008
Energy: 0.7762393426973475
Energy: 0.8478645536731992
Energy: 0.7379975094022034
Energy: 0.7346879940145996
Energy: 0.7200823949862271
Energy: 0.7402939454696951
Energy: 0.7322905713034918
Energy: 0.714571570735428
Energy: 0.7080050856204425
Energy: 0.9173864835864988
Energy: 0.7024074371460755
Energy: 0.7408195167676997
Energy: 0.7989085304032627
Energy: 0.7130324642009971
Energy: 0.7084204851772773
Energy: 0.8818941105200439
Energy: 0.8185928948596097
Energy: 0.7991956144004261
Energy: 0.8853592800535314
Energy: 0.8158830451086031
Energy: 0.7220394381849835

minimum gb energy = 0.6822840008497761 eV
minimum distance =  2.36489340167058 Angstroms
sigma value = 33


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

Energy: 0.8826788960077571
Energy: 0.8756253359931621
Energy: 0.8880225247107343
Energy: 0.8331905381193241
Energy: 0.866598972580556
Energy: 1.0571197154566958
Energy: 0.993711039157417
Energy: 0.9484622678937397
Energy: 0.9464058021497467
Energy: 0.9314755440821835
Energy: 0.9458885490086621
Energy: 0.8544587892905028
Energy: 1.055789367985721
Energy: 0.8135987876513922
Energy: 0.8336377409386257
Energy: 0.9347182018827624
Energy: 0.8201646079564263
Energy: 0.820390250774932
Energy: 0.9350776722737664
Energy: 0.8065648813062507
Energy: 0.8457032551613015
Energy: 0.936710375880977
Energy: 0.8154273534443354
Energy: 0.8238136647696265
Energy: 0.930823972430389
Energy: 0.8618180963359755
Energy: 0.8532569427972634
Energy: 0.9405359813895355
Energy: 0.9448304570654261
Energy: 0.8517508154686755
Energy: 0.8213216228709818
Energy: 0.8384495919131457
Energy: 0.8498875516544786
Energy: 0.8067749875271812
Energy: 0.8386911001565558
Energy: 0.7939367141030842
Energy: 0.9613612377282846
Energy: 0.8459425785901036
Energy: 0.8523504672553305
Energy: 0.966352975759552
Energy: 0.851966948871845
Energy: 0.8188580717866206
Energy: 0.9612892014977553
Energy: 0.8184879937956255
Energy: 0.8108740681277773
Energy: 0.9987819976885903
Energy: 0.8254979468661567
Energy: 0.851522913568863
Energy: 0.8466489222482819
Energy: 0.8117908889646409
Energy: 0.8550059258808487
Energy: 0.8056662497099608
Energy: 0.8472903306375383
Energy: 0.8528249935108242
Energy: 0.8515082332430725
Energy: 0.8457205999447076
Energy: 0.8452981072422066
Energy: 0.8086067435242329
Energy: 0.9349972519079143
Energy: 0.8255971510752135
Energy: 0.8387930385070484
Energy: 0.8156933936372901
Energy: 0.8410397143759074
Energy: 0.8344433428105582
Energy: 0.8088327524102695
Energy: 0.8035664524191918
Energy: 0.913634146895616
Energy: 0.834020168311432
Energy: 0.8326938293018611
Energy: 0.9154122331993095
Energy: 0.8330323968622224
Energy: 0.8196834246893193
Energy: 0.8866047557821178
Energy: 0.8485545743495773
Energy: 0.8482671963337924
Energy: 0.8900636821570374
Energy: 0.829827842608091
Energy: 0.8174467080209469
Energy: 0.8255875012499665
Energy: 0.8108192582303296
Energy: 0.8198689467031648
Energy: 0.7929055040647758
Energy: 0.8098431335201965
Energy: 0.7934993820119505
Energy: 0.8474553367774839
Energy: 0.8372220124480884
Energy: 0.8367533414738829
Energy: 0.8168916184787909
Energy: 0.9658828921732378
Energy: 0.8376619039467582
Energy: 0.8549078354841493
Energy: 0.8127109224916274
Energy: 0.8279417697247063
Energy: 0.8546168217273739
Energy: 0.8459752075738887
Energy: 0.8553904619212778
Energy: 1.054750608786031
Energy: 0.8101472320600857
Energy: 0.8296992158897304
Energy: 0.9736345528446421
Energy: 0.8382768593122382
Energy: 0.8260528688584706
Energy: 1.0632746454924724
Energy: 0.9471501146901372
Energy: 0.8574687240759565
Energy: 0.9440660044490383
Energy: 0.9446369974778075
Energy: 0.8665446058381038
Energy: 0.8069268608386958
Energy: 0.9348746896445942
Energy: 0.8523511459564439
Energy: 0.8184272363287126
Energy: 0.9658259802862972
Energy: 0.8012299078460261
Energy: 0.993301503729747
Energy: 0.9488262017766326
Energy: 0.9449796619685726
Energy: 0.9963337413734589
Energy: 0.9466153877781893
Energy: 0.8524701552659538
Energy: 1.0559219233575754
Energy: 0.811825375436683
Energy: 0.8462887371460592
Energy: 0.9364347553624239
Energy: 0.8186742839721564
Energy: 0.8232058344857497
Energy: 0.925694839497136
Energy: 0.8134519619998111
Energy: 0.8448100827815226
Energy: 0.9353932351374596
Energy: 0.8107389672634655
Energy: 0.8211988751544735
Energy: 0.933275143168957
Energy: 0.8489038761042413
Energy: 0.8505104455381599
Energy: 0.9394806585743494
Energy: 0.9460752076270489
Energy: 0.8544500267968056
Energy: 0.8198921136337209
Energy: 0.8390869211251166
Energy: 0.8467820592497641
Energy: 0.8068517442128278
Energy: 0.8403893506607811
Energy: 0.7959133308025068
Energy: 0.9609165382235855
Energy: 0.8460257861667346
Energy: 0.8493658691308648
Energy: 0.9626903537321643
Energy: 0.8487442008461862
Energy: 0.8543280777330068
Energy: 0.9624871897219236
Energy: 0.818345081974328
Energy: 0.8561393299240961
Energy: 0.9636479126218038
Energy: 0.8108942374589972
Energy: 0.8543959109401953
Energy: 0.8462338343558257
Energy: 0.8156041574184022
Energy: 0.8547051563523362
Energy: 0.8049261084553561
Energy: 0.8406918905084261
Energy: 0.852645092959855
Energy: 0.8492998964820707
Energy: 0.9024240739354707
Energy: 0.8463935520907637
Energy: 0.8070085336485299
Energy: 0.9379398168310031
Energy: 0.8593773122717078
Energy: 0.8363183897365326
Energy: 0.8101275267886168
Energy: 0.8201402191761394
Energy: 0.8351804520061031
Energy: 0.8082512937893149
Energy: 0.8200252935431512
Energy: 0.9129771218097859
Energy: 0.8347897070965752
Energy: 0.8423823347725139
Energy: 0.9184538046714017
Energy: 0.8344150958495054
Energy: 0.9069178362397989
Energy: 0.8914734803122069
Energy: 0.8530845449775197
Energy: 0.8160041776984622
Energy: 0.8864200497554279
Energy: 0.8461279607597461
Energy: 0.8173666770830795
Energy: 0.8269266696830734
Energy: 0.818094095211969
Energy: 0.8490757807307571
Energy: 0.7892246082807516
Energy: 0.8098973632850447
Energy: 0.7928130922436807
Energy: 0.8288475614907518
Energy: 0.8377092797285688
Energy: 0.8375946157830508
Energy: 0.8157730269813818
Energy: 0.9647728036626719
Energy: 0.8512880339341439
Energy: 0.8582143901123519
Energy: 0.8450521910548865
Energy: 0.8585860829409113
Energy: 0.9473487043400574
Energy: 0.8532471591561742
Energy: 0.8570348549145465
Energy: 1.1234831509612204
Energy: 0.8301704285261254
Energy: 0.8099452504412421
Energy: 1.1362753442348037
Energy: 0.7836923545649894
Energy: 0.8166478266448968
Energy: 1.0619573080155178
Energy: 0.9553402724070378
Energy: 0.8701509656468855
Energy: 0.9433500641081797
Energy: 0.9430806685464381
Energy: 0.872505142733136
Energy: 0.8077260927934174
Energy: 0.9668491112907123
Energy: 0.8519836439338156
Energy: 0.8308201969478911
Energy: 0.9682194240422229
Energy: 0.7997864108096854

minimum gb energy = 0.7836923545649894 eV
minimum distance =  2.37249687248878 Angstroms
sigma value = 41


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

Energy: 1.0926224025709137
Energy: 1.0855530879110016
Energy: 1.0848778814686
Energy: 1.012582028752177
Energy: 1.0910162279113307
Energy: 1.0860021258122363
Energy: 1.123171904117915
Energy: 1.03747383467017
Energy: 1.1509401942103348
Energy: 1.067180087584248
Energy: 1.1546829832287295
Energy: 1.069568209795811
Energy: 1.2156112874336353
Energy: 0.9954447759025115
Energy: 1.0240060899635315
Energy: 1.0644288156225363
Energy: 0.9966833852373291
Energy: 1.022052336163611
Energy: 1.0711054926609753
Energy: 1.0659574386122177
Energy: 1.060650473173312
Energy: 1.0652542374723426
Energy: 1.0472614981336013
Energy: 1.149300158883433
Energy: 1.073065224868882
Energy: 1.0652412787311862
Energy: 1.0639553104960606
Energy: 1.1098844418086726
Energy: 1.0386377915985967
Energy: 1.0663911473897076
Energy: 1.041790980241494
Energy: 1.033861878313405
Energy: 1.0336882448305735
Energy: 0.9935340110003114
Energy: 1.03489918676615
Energy: 1.034153108537966
Energy: 1.1569065827872207
Energy: 1.0352046347987132
Energy: 1.0368297754440865
Energy: 1.0753351998542504
Energy: 1.0370113906265115
Energy: 1.0073942051277986
Energy: 1.160789898761545
Energy: 1.006449303712666
Energy: 1.0036907650617097
Energy: 1.1423980990818696
Energy: 1.0037815247359054
Energy: 1.0076114225804311
Energy: 1.0428000807858897
Energy: 1.008781701021788
Energy: 1.0051678089604743
Energy: 1.0055320149634726
Energy: 1.050875973290695
Energy: 1.0050002766540085
Energy: 1.056017002439255
Energy: 1.0082808373860779
Energy: 1.0064265817002718
Energy: 1.0578119179716299
Energy: 1.0074881713611796
Energy: 1.032801589352168
Energy: 1.0542818446229105
Energy: 1.048110550239129
Energy: 1.0376632903535603
Energy: 1.0412189244228753
Energy: 1.0601458865483664
Energy: 1.03647575789371
Energy: 1.1464815661317946
Energy: 0.9978574700390389
Energy: 0.9977960453184541
Energy: 1.137688413702888
Energy: 0.9994610821494225
Energy: 1.1075783607449943
Energy: 1.2589651603564547
Energy: 1.152763846495335
Energy: 1.157036517792346
Energy: 1.0359851584495918
Energy: 1.1089260940938506
Energy: 1.0371361077045202
Energy: 1.0368459261134502
Energy: 1.1551963264311274
Energy: 1.0573174801593388
Energy: 0.9869889059931215
Energy: 1.1551600650619007
Energy: 1.0568614265878267

minimum gb energy = 0.9869889059931215 eV
minimum distance =  2.34125755409663 Angstroms
sigma value = 11


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

Energy: 1.6610002007386786
Energy: 1.2563636817284145
Energy: 1.2262536721028354
Energy: 1.2809447526811084
Energy: 1.338609982361351
Energy: 1.2812470169003416
Energy: 1.4204376753798509
Energy: 1.192279372283271
Energy: 1.1709540636902183
Energy: 1.1859472283125758
Energy: 1.1904248855957242
Energy: 1.2069225933983088
Energy: 1.4523475666447498
Energy: 1.1764145710283311
Energy: 1.1703914686016874
Energy: 1.3343297861227523
Energy: 1.167572797121192
Energy: 1.1744464044853322
Energy: 1.2719420966233121
Energy: 1.1673673565792464
Energy: 1.1600486158917946
Energy: 1.1684150174583114
Energy: 1.2026630591010625
Energy: 1.1646693503373264
Energy: 1.2722120266552266
Energy: 1.170485812964641
Energy: 1.169769729395094
Energy: 1.1663658826834922
Energy: 1.1889580178183072
Energy: 1.1716569471828835
Energy: 1.2561230930810834
Energy: 1.1553433252898508
Energy: 1.1751700937036282
Energy: 1.1711522952354319
Energy: 1.1761077138409304
Energy: 1.1825777781108613
Energy: 1.3052724634510282
Energy: 1.1435453253807586
Energy: 1.1300901053422892
Energy: 1.1716284782085535
Energy: 1.138779989193812
Energy: 1.1611579340954303
Energy: 1.3244092728002852
Energy: 1.1708461963583194
Energy: 1.169601274962975
Energy: 1.1644428849052568
Energy: 1.166804455554678
Energy: 1.1699802266013042
Energy: 1.23702841683089
Energy: 1.1816954289840689
Energy: 1.1680359448454984
Energy: 1.1899546660664888
Energy: 1.1826383342487645
Energy: 1.1693166545349738
Energy: 1.237541439572067
Energy: 1.1866269949532822
Energy: 1.1776534367594398
Energy: 1.189178886675207
Energy: 1.26211172310201
Energy: 1.1691163478827225
Energy: 1.312971949064832
Energy: 1.1868883931335241
Energy: 1.1899221378506113
Energy: 1.1784816213951257
Energy: 1.199715052229134
Energy: 1.1746378305555876
Energy: 1.2433931910671803
Energy: 1.2762640930409408
Energy: 1.288689031217346
Energy: 1.1703473902721564
Energy: 1.1744479806595838
Energy: 1.2887862591781916
Energy: 1.2613352538272287
Energy: 1.164597853842829
Energy: 1.1607242936076478
Energy: 1.1801510616735884
Energy: 1.1741221900365932
Energy: 1.226069208125464
Energy: 1.2363094843887072
Energy: 1.1914331402515654
Energy: 1.1914074097946303
Energy: 1.1685996601673754
Energy: 1.229773117661188
Energy: 1.1912367518217242
Energy: 1.2676915399216735
Energy: 1.1704154860117215
Energy: 1.1694366419361153
Energy: 1.1509993041412352
Energy: 1.1713130696791898
Energy: 1.1765399863306734
Energy: 1.2973337487348242
Energy: 1.1724320686047773
Energy: 1.1708003970864174
Energy: 1.1541159249338855
Energy: 1.169965053732644
Energy: 1.1707003651195598
Energy: 1.2568295822660343
Energy: 1.1713152392177821
Energy: 1.1704282924399083
Energy: 1.1931059047248722
Energy: 1.170336165393762
Energy: 1.206715884733643
Energy: 1.3002949599269176
Energy: 1.1930487430942531
Energy: 1.1745690811131462
Energy: 1.1824900819884738
Energy: 1.1945930251061414
Energy: 1.2037358506173519
Energy: 1.301311127194745
Energy: 1.1765604915660477
Energy: 1.170486356941238
Energy: 1.1979189388642688
Energy: 1.1771586640048124
Energy: 1.1698815987521407
Energy: 1.2403890029328661
Energy: 1.1717174972889741
Energy: 1.2089881547160917
Energy: 1.1770935685360415
Energy: 1.1657859436299542
Energy: 1.1626481816617074
Energy: 1.3678925046532462
Energy: 1.1677128477009795
Energy: 1.1808168757063953
Energy: 1.1738822446917034
Energy: 1.204529418104647
Energy: 1.1575984823799148
Energy: 1.2953980475506988
Energy: 1.1331747513608261
Energy: 1.1560920756716055
Energy: 1.1975887700912782
Energy: 1.1347174872555934
Energy: 1.1548663029695483
Energy: 1.2476222876166463
Energy: 1.1805400502748036
Energy: 1.1837856735704966
Energy: 1.1657845010431114
Energy: 1.1832738669169367
Energy: 1.1931228513069159
Energy: 1.3975481373886445
Energy: 1.1806145680838578
Energy: 1.1719654473215115
Energy: 1.1700017619472574
Energy: 1.1875061710530923
Energy: 1.1692989854911104
Energy: 1.3646217109305994
Energy: 1.1884862513594523
Energy: 1.1945639954571223
Energy: 1.2044645829252913
Energy: 1.151485072784459
Energy: 1.1741294916083773
Energy: 1.2602206070136956
Energy: 1.1709634287429795
Energy: 1.1971179180962666
Energy: 1.1707653608043889
Energy: 1.1332373973769405
Energy: 1.1707429367107132
Energy: 1.2536464831633958
Energy: 1.1521856079699808
Energy: 1.1516953878913778
Energy: 1.1700329773758205
Energy: 1.1706820679573793
Energy: 1.1708062516840179
Energy: 1.2476741519083838
Energy: 1.1833794041230414
Energy: 1.1723526604716037
Energy: 1.1727965508889757
Energy: 1.1632677738867594
Energy: 1.1690592709777643
Energy: 1.4252514610503002
Energy: 1.1653014279897465
Energy: 1.1638998587065252
Energy: 1.2310665422519338
Energy: 1.1800459802250542
Energy: 1.1821828094179792
Energy: 1.5202150897033235
Energy: 1.1796197031912883
Energy: 1.1672669677269478
Energy: 1.1594204820696228
Energy: 1.1929237043318046
Energy: 1.1779998409079895
Energy: 1.2539938505294554
Energy: 1.1624146100720942
Energy: 1.2106019179453387
Energy: 1.1674901395253552
Energy: 1.161012493098137
Energy: 1.2100578717400587

minimum gb energy = 1.1300901053422892 eV
minimum distance =  2.32349024671458 Angstroms
sigma value = 57


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

Energy: 1.8417078438941499
Energy: 1.404826477342977
Energy: 1.4035617928588071
Energy: 1.4135546273777728
Energy: 1.8605060904365776
Energy: 1.4035471772541188
Energy: 1.4147135029261382
Energy: 1.3062811059940371
Energy: 1.3046317385649253
Energy: 1.2937049769548643
Energy: 1.30057920795715
Energy: 1.27102982587228
Energy: 1.4453047009575886
Energy: 1.3400521613381673
Energy: 1.338877693494895
Energy: 1.2819772458801726
Energy: 1.3427331663198385
Energy: 1.2799046182667608
Energy: 1.3923492439687415
Energy: 1.271029156632554
Energy: 1.296280414405163
Energy: 1.3025482123820002
Energy: 1.2642131428389278
Energy: 1.3041427709161302
Energy: 1.35689798699004
Energy: 1.2972826141799745
Energy: 1.2983239500824277
Energy: 1.2988080190049855
Energy: 1.2977991704434788
Energy: 1.2947009986285234
Energy: 1.3609318366486745
Energy: 1.3164333714207164
Energy: 1.2928998422387243
Energy: 1.270606043090934
Energy: 1.3162858388501881
Energy: 1.2691213290182175
Energy: 1.4363793663991957
Energy: 1.274874324089133
Energy: 1.2592593574266957
Energy: 1.3160222056197135
Energy: 1.2750259845571752
Energy: 1.2716283172718987
Energy: 1.4984248349353115
Energy: 1.2715022523584862
Energy: 1.2699990385353455
Energy: 1.297577980454967
Energy: 1.3156241934773074
Energy: 1.2704972507997025
Energy: 1.3603428502781227
Energy: 1.2925463570145306
Energy: 1.2590022000161856
Energy: 1.2622359198789415
Energy: 1.2930095609797625
Energy: 1.2595398581222756
Energy: 1.3601551401085807
Energy: 1.2914998635135906
Energy: 1.258697314774115
Energy: 1.2614533206822305
Energy: 1.2930758590639893
Energy: 1.259585055455322
Energy: 1.4982446029404717
Energy: 1.2715324415184974
Energy: 1.2709121739829898
Energy: 1.2938078370972856
Energy: 1.2996910251345626
Energy: 1.3057291516993965
Energy: 1.3893228684450585
Energy: 1.3395236937070585
Energy: 1.339407066517394
Energy: 1.2916312467958675
Energy: 1.3812105190996253
Energy: 1.2891835286851994
Energy: 1.3555535743272626
Energy: 1.3026087027008841
Energy: 1.301044945572763
Energy: 1.2936516701913732
Energy: 1.3059569862609657
Energy: 1.2690458844262626
Energy: 1.3609505508545128
Energy: 1.3589576466460662
Energy: 1.3587336266862424
Energy: 1.3497942295592205
Energy: 1.358348212410916
Energy: 1.3591673503516968
Energy: 1.3563528007498464
Energy: 1.2602127056978447
Energy: 1.2704280911664467
Energy: 1.298956271218305
Energy: 1.2618028529758936
Energy: 1.2697361021974871
Energy: 1.4252341952521623
Energy: 1.260422974174426
Energy: 1.2602923667291683
Energy: 1.2967914124974642
Energy: 1.2616968035169762
Energy: 1.293024149077446
Energy: 1.414793783526598
Energy: 1.3068126035219363
Energy: 1.3046904341689027
Energy: 1.3110526460599299
Energy: 1.300468372185917
Energy: 1.302598588284212

minimum gb energy = 1.258697314774115 eV
minimum distance =  2.327713305746 Angstroms
sigma value = 9


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

Energy: 1.549482001804075
Energy: 1.2366025366408908
Energy: 1.2817646877144955
Energy: 1.2795087130682787
Energy: 1.3623215167628109
Energy: 1.2801309266944563
Energy: 1.5053830625643634
Energy: 1.262716199053728
Energy: 1.2658608906579125
Energy: 1.2447449963844561
Energy: 1.2491726810992596
Energy: 1.203238752366722
Energy: 1.4954778183653454
Energy: 1.2631952355452831
Energy: 1.2676809634893622
Energy: 1.313021740630713
Energy: 1.2995254703624122
Energy: 1.2807472401295439
Energy: 1.4408700336536118
Energy: 1.2654334519844623
Energy: 1.3044237703985333
Energy: 1.187005577580128
Energy: 1.2775738713782148
Energy: 1.2254197495435672
Energy: 1.4529515288502426
Energy: 1.163660727657855
Energy: 1.1645657165454006
Energy: 1.186946189633322
Energy: 1.2526406944200967
Energy: 1.1675348228890294
Energy: 1.3773197884786805
Energy: 1.2374162739091445
Energy: 1.2378106281541101
Energy: 1.2377290878964935
Energy: 1.2377735279272293
Energy: 1.2423366090997958
Energy: 1.3793287412666622
Energy: 1.4076133848234134
Energy: 1.2626136136722295
Energy: 1.2083326289238399
Energy: 1.397044010505587
Energy: 1.2653750193440145
Energy: 1.4625414958158798
Energy: 1.2388521190948416
Energy: 1.2241542357772568
Energy: 1.2595438968084152
Energy: 1.237165515514354
Energy: 1.2278621921278032
Energy: 1.5241151286124734
Energy: 1.2725583398140967
Energy: 1.2394519375289181
Energy: 1.292294541965723
Energy: 1.2686883057903293
Energy: 1.282680534608707
Energy: 1.5226854005409738
Energy: 1.194779182670788
Energy: 1.2277169006157793
Energy: 1.2907416056935819
Energy: 1.201938335667875
Energy: 1.2272628978923028
Energy: 1.4946765699884235
Energy: 1.3011180508073488
Energy: 1.2935075760988077
Energy: 1.2633111183040138
Energy: 1.3005352446125835
Energy: 1.2843601616265663
Energy: 1.4480336412150399
Energy: 1.2126516969016983
Energy: 1.2157362130941323
Energy: 1.2685518154495683
Energy: 1.2162815547579449
Energy: 1.21860087825143
Energy: 1.541685753297462
Energy: 1.2838350455480183
Energy: 1.284735683741802
Energy: 1.314825720495498
Energy: 1.263144256103115
Energy: 1.3207382625176596
Energy: 1.5502568444830582
Energy: 1.3296892530896938
Energy: 1.2828777281956902
Energy: 1.311664456442504
Energy: 1.3238831461369498
Energy: 1.28081388046318
Energy: 1.4501517770754822
Energy: 1.2644659364251194
Energy: 1.2455958206126323
Energy: 1.2651005974520726
Energy: 1.2349874122861229
Energy: 1.265149243139943
Energy: 1.4097123721878575
Energy: 1.2942389220690813
Energy: 1.234439714216567
Energy: 1.2914748315312092
Energy: 1.305278273940212
Energy: 1.273191307691961
Energy: 1.489146701766884
Energy: 1.2278085713427072
Energy: 1.2145763158855938
Energy: 1.2789534588425526
Energy: 1.2452480777668138
Energy: 1.2190546164191762
Energy: 1.5626644735647772
Energy: 1.2932014650211143
Energy: 1.2716870062749361
Energy: 1.294755716997018
Energy: 1.2957580489778269
Energy: 1.268952757530077
Energy: 1.4432167733500065
Energy: 1.2498135012397122
Energy: 1.2476839783181382
Energy: 1.2104081904890962
Energy: 1.2548501716222806
Energy: 1.245740325126324
Energy: 1.493853391326813
Energy: 1.250123191057987
Energy: 1.2488174687769105
Energy: 1.35157802864296
Energy: 1.286558106944952
Energy: 1.3146099744448982
Energy: 1.4162477577018493
Energy: 1.2407832198661382
Energy: 1.2601514401388179
Energy: 1.2373665862712595
Energy: 1.2158048018527194
Energy: 1.2290936323322228

minimum gb energy = 1.163660727657855 eV
minimum distance =  2.33534171277256 Angstroms
sigma value = 27


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

Energy: 2.0116914882316674
Energy: 1.22251391911159
Energy: 1.2859120340151364
Energy: 1.2899240915653492
Energy: 1.9406977465439927
Energy: 1.2862920101286655
Energy: 1.4871003601336705
Energy: 1.2489408718145232
Energy: 1.24517784225856
Energy: 1.2182270366425594
Energy: 1.259411273400353
Energy: 1.2634254590545446
Energy: 1.4927175922699996
Energy: 1.3249636788020198
Energy: 1.384403289108464
Energy: 1.328875226345047
Energy: 1.3105948292313176
Energy: 1.3822364899897497
Energy: 1.4410517768019704
Energy: 1.2634837961966046
Energy: 1.2745875579329018
Energy: 1.302131135684322
Energy: 1.186435419491074
Energy: 1.2558387167463407
Energy: 1.3989502264141966
Energy: 1.2729845754936153
Energy: 1.2639472607869793
Energy: 1.277658668510898
Energy: 1.2774187576455955
Energy: 1.2612624395940302
Energy: 1.4411805177408292
Energy: 1.2439591497696219
Energy: 1.275455047200652
Energy: 1.2649234188782086
Energy: 1.2518338499811097
Energy: 1.2720209247493717
Energy: 1.3828882355067735
Energy: 1.2582788705874526
Energy: 1.2578809434289464
Energy: 1.2729641252273294
Energy: 1.2504486255258704
Energy: 1.2574212108688072
Energy: 1.464021239104516
Energy: 1.277787091279273
Energy: 1.279478506703787
Energy: 1.3081133859079261
Energy: 1.2744981704903136
Energy: 1.2792024780870606
Energy: 1.4873637098270607
Energy: 1.235592928572754
Energy: 1.2342895516754349
Energy: 1.2770868511244609
Energy: 1.2357129338629567
Energy: 1.3257953675549132
Energy: 1.5031154059804992
Energy: 1.2366543309828775
Energy: 1.2345917437728142
Energy: 1.1900460358150329
Energy: 1.2078151242537105
Energy: 1.2986138141290648
Energy: 1.4552142863032538
Energy: 1.2652454884562963
Energy: 1.268360068819017
Energy: 1.3104889872473127
Energy: 1.2771951773099761
Energy: 1.2600172542753187
Energy: 1.4702063466561415
Energy: 1.2675190846745945
Energy: 1.247099989358176
Energy: 1.2803274872464052
Energy: 1.253172523822412
Energy: 1.2823156815708596
Energy: 1.7161166355600928
Energy: 1.2546685255685246
Energy: 1.2504462836798147
Energy: 1.2580748790659029
Energy: 1.2712688439076865
Energy: 1.2620577375445172
Energy: 1.4751296392946587
Energy: 1.270303773107029
Energy: 1.2591975647239004
Energy: 1.2513207522486909
Energy: 1.2732138636399584
Energy: 1.2535955923494888
Energy: 1.4736117077256656
Energy: 1.2571034207790373
Energy: 1.2576405850868901
Energy: 1.2866560182248348
Energy: 1.2515672120260963
Energy: 1.284809064349901
Energy: 1.4069309169448052
Energy: 1.3054342866552744
Energy: 1.3036918909646524
Energy: 1.2948291404332464
Energy: 1.2153615074431505
Energy: 1.2993120441644836
Energy: 1.4001445709227862
Energy: 1.2100386095866082
Energy: 1.2214977568121015
Energy: 1.2785421079085217
Energy: 1.2375765891674926
Energy: 1.2047656199653218
Energy: 1.4342081748450473
Energy: 1.278929548226866
Energy: 1.2742872722295309
Energy: 1.2720532697949285
Energy: 1.28606421697672
Energy: 1.2730383924616135
Energy: 1.4319866616753056
Energy: 1.2832307451056038
Energy: 1.2878036885302337
Energy: 1.3083952242590844
Energy: 1.2785259786367338
Energy: 1.2842155334007195
Energy: 1.4421828723727008
Energy: 1.2831357224801245
Energy: 1.2881689863579
Energy: 1.3166015277788776
Energy: 1.2786378038550485
Energy: 1.2707709157994826
Energy: 1.3804481652923024
Energy: 1.2828384658700591
Energy: 1.2714618536553597
Energy: 1.2916324034210447
Energy: 1.286856877111626
Energy: 1.2305934796233664
Energy: 1.4076478230400666
Energy: 1.29385913748836
Energy: 1.240831674754305
Energy: 1.3129728038095116
Energy: 1.2925075980619103
Energy: 1.2823366500160447
Energy: 1.495670777186905
Energy: 1.290326705599434
Energy: 1.2929936550104337
Energy: 1.2430238450884823
Energy: 1.2897871847438827
Energy: 1.2919167594338739
Energy: 1.496112690775681
Energy: 1.3113906076216295
Energy: 1.3113069393482304
Energy: 1.2917540388116868
Energy: 1.3129057390852117
Energy: 1.3126735229979347
Energy: 1.486427498117813
Energy: 1.2981385767650246
Energy: 1.249683019177483
Energy: 1.2607631112988666
Energy: 1.306892016091352
Energy: 1.2590935905040195

minimum gb energy = 1.186435419491074 eV
minimum distance =  2.29769673645849 Angstroms
sigma value = 19


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

Energy: 2.1700151736040096
Energy: 1.086385618101113
Energy: 1.3587152948850731
Energy: 1.218794798871248
Energy: 1.139088790421429
Energy: 1.2418540731791958
Energy: 1.4816416562189327
Energy: 1.1728974028085168
Energy: 1.2054485335971812
Energy: 1.1866322456358787
Energy: 1.1921511097215134
Energy: 1.1440420414816481
Energy: 1.3856134367002089
Energy: 1.1700422496267304
Energy: 1.1695590042914603
Energy: 1.1918026089417801
Energy: 1.2030568715530505
Energy: 1.1686536427276588
Energy: 1.350361398299597
Energy: 1.2134006462353533
Energy: 1.204820675674751
Energy: 1.2137854955456178
Energy: 1.1960457439732461
Energy: 1.2062719134674726
Energy: 1.3861249428151743
Energy: 1.1835513234612924
Energy: 1.1556255579940589
Energy: 1.202743017587871
Energy: 1.197748186906405
Energy: 1.156498076637133
Energy: 1.3911542484009467
Energy: 1.1974988585617292
Energy: 1.2245522999682297
Energy: 1.19715236112464
Energy: 1.2112430859501548
Energy: 1.2087426050886365
Energy: 1.418420242124053
Energy: 1.1851341276292118
Energy: 1.1675705743367566
Energy: 1.1649752823451522
Energy: 1.1839693226356856
Energy: 1.1624169039674528
Energy: 1.3608115695307914
Energy: 1.2098899164204415
Energy: 1.1745710720285578
Energy: 1.0805446035416861
Energy: 1.1943668892782955
Energy: 1.165687919837661
Energy: 1.3634793877162192
Energy: 1.1704166510866503
Energy: 1.1710372540763123
Energy: 1.1880730823985026
Energy: 1.2101894072922266
Energy: 1.1705992320828946
Energy: 1.3676785811119063
Energy: 1.130724170452295
Energy: 1.1318935033382862
Energy: 1.1906171528574574
Energy: 1.1304123193798492
Energy: 1.1945912622877395
Energy: 1.5129030606734677
Energy: 1.203227819306014
Energy: 1.1986061225020528
Energy: 1.1497448334082057
Energy: 1.2012056900428378
Energy: 1.198421751072067
Energy: 1.4554290006746964
Energy: 1.1793332613341034
Energy: 1.1925215468808883
Energy: 1.1941202189606575
Energy: 1.1918063495220097
Energy: 1.2252553833190973
Energy: 1.4502949127429248
Energy: 1.1371774629271465
Energy: 1.1617556592848974
Energy: 1.2017575396598315
Energy: 1.139926833671506
Energy: 1.1666562579331483
Energy: 1.4172233934699703
Energy: 1.094938282623587
Energy: 1.1384945517723546
Energy: 1.1912726703869116
Energy: 1.1366174398171898
Energy: 1.1978001565177856
Energy: 1.5108471725869637
Energy: 1.2098175206372679
Energy: 1.2043700917342797
Energy: 1.2035567894700827
Energy: 1.2113409314578436
Energy: 1.204278251173612
Energy: 1.4076296831176873
Energy: 1.2052823421175367
Energy: 1.1981225745039787
Energy: 1.174373960858233
Energy: 1.2034135873346135
Energy: 1.1508116044679833
Energy: 1.431361346306728
Energy: 1.1328539502598332
Energy: 1.1976650732533491
Energy: 1.2013748326452771
Energy: 1.1689518986804577
Energy: 1.1978780264187838
Energy: 1.407124313022501
Energy: 1.129526120984063
Energy: 1.1156134188199796
Energy: 1.1820762075128257
Energy: 1.1833999655979661
Energy: 1.180899167516189
Energy: 1.4074449852367894
Energy: 1.1953806300449603
Energy: 1.1718770701044665
Energy: 1.1788245196037577
Energy: 1.195806420021266
Energy: 1.129860601586627
Energy: 1.3550822547094497
Energy: 1.2014658540713723
Energy: 1.2010157439578921
Energy: 1.153348405167174
Energy: 1.194013750385575
Energy: 1.1285331928289732
Energy: 1.3478909987182905
Energy: 1.191330738165621
Energy: 1.1776850856661407
Energy: 1.2050543830176554
Energy: 1.1726142578981067
Energy: 1.203198574049417
Energy: 1.3479854807994787
Energy: 1.2118179905866948
Energy: 1.1791983028411714
Energy: 1.1882298677182548
Energy: 1.2069524943230234
Energy: 1.1967395073095164
Energy: 1.3426918694597774
Energy: 1.1842771731778718
Energy: 1.2078082000639054
Energy: 1.1683579020337274
Energy: 1.2011665989640956
Energy: 1.1537452858204638
Energy: 1.375546161453639
Energy: 1.181145971900014
Energy: 1.1775770868484157
Energy: 1.1701609591130235
Energy: 1.1907024034446902
Energy: 1.081074502776488
Energy: 1.3967785958288212
Energy: 1.2024813212012986
Energy: 1.2293006841690322
Energy: 1.193450532805115
Energy: 1.1995131095711409
Energy: 1.1309482108928732
Energy: 1.4037860381327294
Energy: 1.1432319785575942
Energy: 1.1419000684291392
Energy: 1.2026448466497195
Energy: 1.144895256203066
Energy: 1.1432474940086776
Energy: 1.376083138680629
Energy: 1.2059903502515392
Energy: 1.208628363480529
Energy: 1.1619784653583307
Energy: 1.2052920894709853
Energy: 1.2136952187751555
Energy: 1.386013742295934
Energy: 1.1662303974448254
Energy: 1.1953062490787585
Energy: 1.2213105070248582
Energy: 1.2118527196474593
Energy: 1.1449779087676324
Energy: 1.4703946148127915
Energy: 1.0834262994189872
Energy: 1.084982118698165
Energy: 1.1856957949882467
Energy: 1.152687177635878
Energy: 1.1086419294151606

minimum gb energy = 1.0805446035416861 eV
minimum distance =  2.29521898457222 Angstroms
sigma value = 101


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

Energy: 1.9806965144419175
Energy: 1.2066998880678255
Energy: 1.2010721840407101
Energy: 1.0723481059307114
Energy: 1.0410026882261536
Energy: 1.0749159836270243
Energy: 1.3623462956596493
Energy: 1.134762838251822
Energy: 1.1559086531996203
Energy: 1.1367645621873264
Energy: 1.1473744210620995
Energy: 1.1429070672046953
Energy: 1.346087596171875
Energy: 1.1438286141055298
Energy: 1.1424344427370199
Energy: 1.1719763880751222
Energy: 1.1446669438247332
Energy: 1.146334689070522
Energy: 1.3326213908232962
Energy: 1.139395733255308
Energy: 1.1421762498865269
Energy: 1.13929426704691
Energy: 1.1383745217853496
Energy: 1.1543595919607694
Energy: 1.303140787834532
Energy: 1.1535775426579127
Energy: 1.150831824986917
Energy: 1.1617972504367833
Energy: 1.141155845336221
Energy: 1.1701173371727998
Energy: 1.3332549661447344
Energy: 1.1529620935179152
Energy: 1.16529575078693
Energy: 1.1386788046585339
Energy: 1.1553852959709114
Energy: 1.0699730984820655
Energy: 1.3863549316459944
Energy: 1.1343669007105242
Energy: 1.1275846336432602
Energy: 1.1205486777471743
Energy: 1.1508128967978852
Energy: 1.1311364026227666
Energy: 1.3155943758100714
Energy: 1.1347542116810703
Energy: 1.1404758142271416
Energy: 1.0661926017778542
Energy: 1.1592809546681189
Energy: 1.1448826187492298
Energy: 1.2899234805235666
Energy: 1.0836260278642027
Energy: 1.0838649107631735
Energy: 1.0791746175431383
Energy: 1.0916457001074964
Energy: 1.0773934474552798
Energy: 1.3036801410022891
Energy: 1.1487824607486852
Energy: 1.1520672379584331
Energy: 1.137524238247044
Energy: 1.1387595334775635
Energy: 1.1518026022887449
Energy: 1.3177588486290197
Energy: 1.1095558861195367
Energy: 1.1110693710082447
Energy: 1.072781835207948
Energy: 1.1202338475381317
Energy: 1.1529131593936635
Energy: 1.3309092375872122
Energy: 1.1369647558693312
Energy: 1.1403158223200323
Energy: 1.0777974720317085
Energy: 1.1372432081554678
Energy: 1.1514968276008133
Energy: 1.3503533101947072
Energy: 1.082096770961797
Energy: 1.0796721462463201
Energy: 1.1597442698735865
Energy: 1.0833021056709102
Energy: 1.0712780793340306
Energy: 1.3464430201034108
Energy: 1.058247947082838
Energy: 1.1435136231666612
Energy: 1.1383992827967946
Energy: 1.0610309406025218
Energy: 1.1402680757107828
Energy: 1.4193087215985816
Energy: 1.1570173317570345
Energy: 1.1613434633820203
Energy: 1.142406041428999
Energy: 1.0842634069168138
Energy: 1.139019366545227
Energy: 1.4257202099893491
Energy: 1.1351915034184172
Energy: 1.141794644396775
Energy: 1.1846754437546658
Energy: 1.1343743802480777
Energy: 1.1425641190699072
Energy: 1.3566316169936
Energy: 1.1060251817698772
Energy: 1.1577017126871147
Energy: 1.1400169632106916
Energy: 1.1004001473249014
Energy: 1.110337191093927
Energy: 1.3672344890339814
Energy: 1.1463972522673922
Energy: 1.1458086417441122
Energy: 1.1357469553636137
Energy: 0.9920880089117458
Energy: 1.1350605812756396
Energy: 1.3561653714603148
Energy: 1.140928721216033
Energy: 1.1450572561146113
Energy: 1.189859778224066
Energy: 1.133703790178291
Energy: 1.1462245287748256
Energy: 1.3076541131383461
Energy: 1.1402778798898117
Energy: 1.1426940341891683
Energy: 1.1557467266235066
Energy: 1.1399307577801212
Energy: 1.1454061693208581
Energy: 1.3018497911165703
Energy: 1.124727883177894
Energy: 1.1429351267339867
Energy: 1.1592617044616433
Energy: 1.1527821684411887
Energy: 1.169421261527009
Energy: 1.3186692478138504
Energy: 1.15125220525084
Energy: 1.1520405434120657
Energy: 1.1386654702640129
Energy: 1.1871461904372504
Energy: 1.1453026483489772
Energy: 1.3099208537488982
Energy: 1.1400336796394877
Energy: 1.1184656193557934
Energy: 0.9935984219091698
Energy: 1.1396308131859973
Energy: 1.1217955990292894
Energy: 1.321247904581082
Energy: 1.1425679775756725
Energy: 1.1452434921107641
Energy: 1.0685482465605478
Energy: 1.1400097492099723
Energy: 1.1422261106311957
Energy: 1.2918678862974224
Energy: 1.1525204386068602
Energy: 1.1357803417919672
Energy: 1.1514359479954153
Energy: 1.1875176589447842
Energy: 1.1376300305546496
Energy: 1.3030155750597268
Energy: 1.1543443465045005
Energy: 1.1416922439332393
Energy: 1.1443970500882499
Energy: 1.1524189081945369
Energy: 1.1357017647120862
Energy: 1.4080197654228643
Energy: 1.1398116038828257
Energy: 1.143975600560071
Energy: 1.0851577138900728
Energy: 1.138549916800718
Energy: 1.1524118933395253
Energy: 1.3304231642111826
Energy: 1.1436308147020684
Energy: 1.1503714356568973
Energy: 1.079439298497775
Energy: 1.140008337283097
Energy: 1.1403478977043486
Energy: 1.3490315318373927
Energy: 1.0780133477346463
Energy: 1.0812408004376635
Energy: 1.1558981708278158
Energy: 1.0811877876628981
Energy: 1.143434358856841
Energy: 1.3488884692019472
Energy: 1.064622052019438
Energy: 1.0732728107520426
Energy: 1.1566993363763736
Energy: 1.0716883051527244
Energy: 1.0686023548524088
Energy: 1.3292125732321338
Energy: 1.135174318579625
Energy: 1.1354303168335818
Energy: 1.1512528602331173
Energy: 1.1521817739852025
Energy: 1.1424036731005645
Energy: 1.4241967506094269
Energy: 1.1359567470780576
Energy: 1.1362911911975206
Energy: 1.1871376833091107
Energy: 1.1403859578302384
Energy: 1.1416129432955144
Energy: 1.380567254557745
Energy: 0.979910006353868
Energy: 1.0770902828458766
Energy: 1.1396212560313241
Energy: 1.1118489997119143
Energy: 1.1088518528878317

minimum gb energy = 0.979910006353868 eV
minimum distance =  2.2936184329601 Angstroms
sigma value = 33


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

Energy: 0.017945174877536753
Energy: 0.01949618959347951
Energy: 0.01872040302447196
Energy: 0.020122828744224486
Energy: 1.1728308911899652
Energy: 0.01867910343319976
Energy: 0.01874619538600575
Energy: 0.13475991772978085
Energy: 0.13410732460214259
Energy: 0.18980725836041107
Energy: 0.13746920869897425
Energy: 0.13634697547324223
Energy: 1.5923280478956712
Energy: 1.1677651251350343
Energy: 1.1704354355371274
Energy: 1.2283264277977717
Energy: 1.1717655206294149
Energy: 1.2247536871352127
Energy: 0.562903723803203
Energy: 0.13475991773063678
Energy: 0.13410732460423486
Energy: 0.1898072583607915
Energy: 0.1374692087014945
Energy: 0.13634697547409816

minimum gb energy = 0.017945174877536753 eV
minimum distance =  2.5611419339549 Angstroms
sigma value = 1