Model name: model_name=Sim_LAMMPS_ADP_StarikovKolotovaKuksin_2017_UMo__SM_682749584055_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.149100035429001
cohesive_energy=6.880871308375725
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.01753925742245769
Energy: 0.01777510247212807
Energy: 1.717349387501308
Energy: 0.01777510247212807
Energy: 0.01753925742245769
Energy: 0.017775102471714804
Energy: 0.01777510247212807
Energy: 3.8032624246174693
Energy: 0.01777510247212807
Energy: 6.1223572016341326
Energy: 0.01777510247212807
Energy: 3.777314291478932
Energy: 1.717349387501308
Energy: 0.017775102472541337
Energy: 0.01753925742245769
Energy: 0.01777510247212807
Energy: 1.7173493875008945
Energy: 0.01777510247212807
Energy: 0.017775102472541337
Energy: 6.1223572016935055
Energy: 0.01777510247212807
Energy: 3.821578671379255
Energy: 0.017775102472541337
Energy: 3.74586554065505
Energy: 0.01753925742245769
Energy: 0.01777510247212807
Energy: 1.7173493875008945
Energy: 0.01777510247212807
Energy: 0.01753925742245769
Energy: 0.01777510247212807
Energy: 0.01777510247212807
Energy: 3.7597434741193747
Energy: 0.01777510247212807
Energy: 3.7661625850759055
Energy: 0.01777510247212807
Energy: 3.708027578212371

minimum gb energy = 0.01753925742245769 eV
minimum distance =  2.40757029295252 Angstroms
sigma value = 1


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

Energy: 2.0108752845414877
Energy: 2.1920671055010077
Energy: 1.9501060711470568
Energy: 2.19028945167251
Energy: 2.0108752845335296
Energy: 2.19244130396275
Energy: 2.0898343974354434
Energy: 2.189615113599612
Energy: 2.1266616082714753
Energy: 2.2018010213295156
Energy: 2.089834397439423
Energy: 2.234781918862724
Energy: 1.852645778545801
Energy: 2.173735685483594
Energy: 1.9450249338238226
Energy: 2.1737356854796155
Energy: 1.8526457785467956
Energy: 2.173735685477626
Energy: 2.067049667474724
Energy: 2.2098992150023293
Energy: 1.856915082358741
Energy: 2.210631619640179
Energy: 2.067049667476713
Energy: 2.1993783344065827
Energy: 2.0498653073440263
Energy: 2.208944063953988
Energy: 2.013712306036431
Energy: 2.2089440639301134
Energy: 2.0498653073440263
Energy: 2.2089440639519986
Energy: 2.0259779013780523
Energy: 2.2000489296406482
Energy: 1.891288371470577
Energy: 2.2000484898673913
Energy: 2.0259779011294468
Energy: 2.2000484965911444
Energy: 1.9940298870648492
Energy: 2.176341217000311
Energy: 1.8712354034689718
Energy: 2.1763445060876636
Energy: 1.9940298870638544
Energy: 2.1763275479792914
Energy: 2.039044196740049
Energy: 2.2079668467646076
Energy: 1.8530149976115826
Energy: 2.207873211417131
Energy: 2.039044196771882
Energy: 2.20767825533701
Energy: 2.0873238653417188
Energy: 2.21750395726978
Energy: 1.8647531081708202
Energy: 2.2175039523507487
Energy: 2.08732386533774
Energy: 2.2175039486060606
Energy: 1.938063396653762
Energy: 2.1672688853851763
Energy: 1.9240653559720757
Energy: 2.1672688858942797
Energy: 1.938063396653762
Energy: 2.1672688860026663
Energy: 2.051135753147262
Energy: 2.355899643876731
Energy: 2.0983326323452096
Energy: 2.355899655210273
Energy: 2.0511357533869146
Energy: 2.355899641242721
Energy: 1.8782110176935582
Energy: 2.2088116081633884
Energy: 1.8533113499974065
Energy: 2.208811609782175
Energy: 1.878211017695548
Energy: 2.208811606955267
Energy: 2.095360871006541
Energy: 2.3558996933204917
Energy: 2.109434996365252
Energy: 2.3558996904895593
Energy: 2.0953608710910525
Energy: 2.3558996928292486
Energy: 1.8735611074349958
Energy: 2.1648356008190355
Energy: 1.9387984653565475
Energy: 2.164838673736141
Energy: 1.8735611072202125
Energy: 2.1648352749687083
Energy: 1.859393758105018
Energy: 2.1866924381480017
Energy: 2.092036151269045
Energy: 2.1925675617631413
Energy: 1.8593937581765978
Energy: 2.191133156818335
Energy: 1.856105195018822
Energy: 2.192221005209556
Energy: 2.037282311544529
Energy: 2.191983669674503
Energy: 1.8561052138378058
Energy: 2.1922213990928765
Energy: 1.8723962734295976
Energy: 2.2474472322789256
Energy: 1.9814750952393192
Energy: 2.247447235542363
Energy: 1.872396273432582
Energy: 2.2474472293803927
Energy: 1.9064907611330428
Energy: 2.2259283252037045
Energy: 2.0373720727346165
Energy: 2.2259283249560933
Energy: 1.906490761132048
Energy: 2.225928325339945
Energy: 1.915262330177383
Energy: 2.205178170714407
Energy: 2.041659288633623
Energy: 2.2051781701178075
Energy: 1.9152623301903158
Energy: 2.205178171776385
Energy: 1.8785902989995562
Energy: 2.162678925421989
Energy: 2.0527352130022187
Energy: 2.1758272688169464
Energy: 1.8785902975756568
Energy: 2.1828238848041224
Energy: 1.94401435287289
Energy: 2.166826484620918
Energy: 1.8525709530168868
Energy: 2.1668264737239062
Energy: 1.9440143528510045
Energy: 2.166826490155451
Energy: 2.1201989893147632
Energy: 2.256471573635271
Energy: 2.0795840374238765
Energy: 2.2564559515019496
Energy: 2.120198979321603
Energy: 2.256458617712638
Energy: 2.051484633167405
Energy: 2.1906594322336526
Energy: 2.0108752845225863
Energy: 2.1905232454485843
Energy: 2.0514846331624312
Energy: 2.189598397771657

minimum gb energy = 1.8525709530168868 eV
minimum distance =  2.41519514310555 Angstroms
sigma value = 33


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

Energy: 2.4925855895058557
Energy: 2.3014586359335865
Energy: 2.026264566232241
Energy: 2.301458635962958
Energy: 2.4925855895064215
Energy: 2.301458635952207
Energy: 2.1114616763114746
Energy: 2.2915142488056266
Energy: 2.07322907962172
Energy: 2.384698728072302
Energy: 2.1114616762877096
Energy: 2.2746621159004294
Energy: 1.8866489209010866
Energy: 2.307793284872442
Energy: 2.1081042829408196
Energy: 2.3076566200008704
Energy: 1.8866489209010866
Energy: 2.3077938986308943
Energy: 1.995423136606364
Energy: 2.2969597517233407
Energy: 2.1598986831503195
Energy: 2.2727228725567454
Energy: 1.9954231366086275
Energy: 2.2969874250101974
Energy: 1.985906519459483
Energy: 2.26057443977706
Energy: 2.0013480754031603
Energy: 2.2605743083212126
Energy: 1.985906510646625
Energy: 2.260574573695452
Energy: 1.9979342511481264
Energy: 2.2747611218712995
Energy: 1.9255475684606653
Energy: 2.276378281987743
Energy: 1.99793425111644
Energy: 2.2830908782651287
Energy: 2.3474711448296786
Energy: 2.2748958298229187
Energy: 2.132111931761175
Energy: 2.2850396194852522
Energy: 2.3474711448318906
Energy: 2.2873423379678735
Energy: 1.9096872852191347
Energy: 2.2791640111575417
Energy: 1.9797298383691078
Energy: 2.2791640112927234
Energy: 1.9096872852213982
Energy: 2.279164010969223
Energy: 2.0527821016080203
Energy: 2.2845085549303326
Energy: 2.267890883024174
Energy: 2.2908927814370186
Energy: 2.0527821016085346
Energy: 2.287182849627357
Energy: 1.9257481925008724
Energy: 2.3046606095526
Energy: 1.9472462398726016
Energy: 2.304660610883947
Energy: 1.9257481925014384
Energy: 2.304660608361476
Energy: 2.0382063116054
Energy: 2.300255036671174
Energy: 2.1290322858039588
Energy: 2.302860511834525
Energy: 2.038206309926736
Energy: 2.3022810939436744
Energy: 2.064209674018064
Energy: 2.2603044745601957
Energy: 1.9736563261410875
Energy: 2.2603044804298102
Energy: 2.0642096740146694
Energy: 2.26030437775173
Energy: 2.1907259787734046
Energy: 2.288026596807581
Energy: 1.985189032130477
Energy: 2.281871255283015
Energy: 2.19072597722375
Energy: 2.2745785434390173
Energy: 2.0019685107825005
Energy: 2.306284942686995
Energy: 2.0325116936378955
Energy: 2.306284940132837
Energy: 2.0019685107853293
Energy: 2.306284941569377
Energy: 2.176671810833245
Energy: 2.2971236603372804
Energy: 2.120951697593697
Energy: 2.297123658444887
Energy: 2.176671810833245
Energy: 2.2971236647216933
Energy: 2.1407945417053464
Energy: 2.274325035595197
Energy: 1.9854851303418577
Energy: 2.274322770207886
Energy: 2.140794541681016
Energy: 2.2743273096019023
Energy: 2.148146622576858
Energy: 2.283169171087809
Energy: 1.9337994043937012
Energy: 2.2831691710465547
Energy: 2.14814662257799
Energy: 2.283169170906846
Energy: 2.1333884354933845
Energy: 2.2698823497086176
Energy: 2.235210103048112
Energy: 2.3159252173519325
Energy: 2.133388438576336
Energy: 2.2733437231885247
Energy: 1.9094488047071188
Energy: 2.2607158040483357
Energy: 1.9779537666832532
Energy: 2.2607141624896103
Energy: 1.9094488047071188
Energy: 2.26071566537342
Energy: 2.0985045113874206
Energy: 2.2783620980904065
Energy: 2.088177215738468
Energy: 2.3170829452888
Energy: 2.0985045101635293
Energy: 2.287629376114289
Energy: 2.100109414062891
Energy: 2.303301441089966
Energy: 1.9570939890495065
Energy: 2.303301442416838
Energy: 2.100109414062891
Energy: 2.303301436990114
Energy: 2.057403379275989
Energy: 2.3896527301674744
Energy: 2.1570270921661088
Energy: 2.304767062278324
Energy: 2.057403383254856
Energy: 2.352465236648206
Energy: 1.9159094047535048
Energy: 2.2670732024779956
Energy: 2.097682723092128
Energy: 2.2670732024107134
Energy: 1.9159094047535048
Energy: 2.2670732024486244
Energy: 2.131186206376294
Energy: 2.269694965594727
Energy: 2.0096931160731906
Energy: 2.3146550145314113
Energy: 2.133073838620577
Energy: 2.287264192825966
Energy: 2.0188730306670837
Energy: 2.269461519100904
Energy: 2.0734203261799173
Energy: 2.269459812973487
Energy: 2.018873030630356
Energy: 2.269461985086045
Energy: 2.0423490870096943
Energy: 2.309408189966402
Energy: 2.0195811517901
Energy: 2.307656402721226
Energy: 2.0423492169452584
Energy: 2.306763778210806
Energy: 2.041763854967886
Energy: 2.3232760440824762
Energy: 2.001714502630378
Energy: 2.3234637071037225
Energy: 2.0411533430973763
Energy: 2.32313499115061
Energy: 2.0159259382304047
Energy: 2.27140737234713
Energy: 2.074097300239857
Energy: 2.2714043431990953
Energy: 2.0159259381783996
Energy: 2.2714100180812737
Energy: 2.2021245892487227
Energy: 2.383494340372382
Energy: 2.007368066849395
Energy: 2.383494475220022
Energy: 2.202124589383339
Energy: 2.3834942189159904
Energy: 1.916947343820387
Energy: 2.2598081196778668
Energy: 2.102167177679091
Energy: 2.2598079934575956
Energy: 1.916947343819821
Energy: 2.2598082083092104
Energy: 2.0622791236401934
Energy: 2.333881959412032
Energy: 2.1627392939945693
Energy: 2.407257457223792
Energy: 2.062279123464272
Energy: 2.4475119898586533
Energy: 2.100131446264302
Energy: 2.305488177868586
Energy: 1.9622627560378756
Energy: 2.3054880853347623
Energy: 2.100131446264302
Energy: 2.305488333867732
Energy: 2.1029192112854203
Energy: 2.2862608837541836
Energy: 2.0972496803525575
Energy: 2.2876319417369495
Energy: 2.1029192112859865
Energy: 2.3197918570597276
Energy: 1.9075650376266784
Energy: 2.2693338748962053
Energy: 2.0418975774043453
Energy: 2.269333877370632
Energy: 1.9075650376278104
Energy: 2.2693338739318762
Energy: 2.1291257402229182
Energy: 2.26711316795485
Energy: 2.10860234347357
Energy: 2.264188694277648
Energy: 2.1291257415039575
Energy: 2.2674756971164296
Energy: 2.1374445492619745
Energy: 2.269130024399093
Energy: 1.9438563156947373
Energy: 2.269110145177821
Energy: 2.137444549260277
Energy: 2.26915297429494
Energy: 2.0866625756159536
Energy: 2.259077734249299
Energy: 1.9701519185941672
Energy: 2.2588379657056543
Energy: 2.086662617038998
Energy: 2.26033344311529
Energy: 2.1445753699443526
Energy: 2.28525732884088
Energy: 2.1166785507679675
Energy: 2.2785820782774544
Energy: 2.144575369944918
Energy: 2.2852682434950866
Energy: 2.0052052635641315
Energy: 2.3162681442107536
Energy: 2.4274570055879314
Energy: 2.316268133351082
Energy: 2.005205263613359
Energy: 2.3162681538137155
Energy: 2.158168971106362
Energy: 2.250276096131689
Energy: 1.9773093568075644
Energy: 2.2550865574182875
Energy: 2.1581689317828046
Energy: 2.2639931804653575
Energy: 2.0689177540551946
Energy: 2.260729936388615
Energy: 2.021444884377625
Energy: 2.260729944441923
Energy: 2.0689177540551946
Energy: 2.260729944635334

minimum gb energy = 1.8866489209010866 eV
minimum distance =  2.35383060286381 Angstroms
sigma value = 51


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

Energy: 2.0778600522869377
Energy: 2.334295230592428
Energy: 2.146725088037222
Energy: 2.334295230597642
Energy: 2.0778600522869377
Energy: 2.334295230597642
Energy: 1.8701601169393258
Energy: 2.389695330797683
Energy: 2.3209071671486523
Energy: 2.389696319178841
Energy: 1.875135817928557
Energy: 2.389694143617859
Energy: 1.8292360810475725
Energy: 2.320315606396992
Energy: 2.1710554927352503
Energy: 2.3203156067534407
Energy: 1.8292360810475725
Energy: 2.3203156062056722
Energy: 1.9237884401401473
Energy: 2.2311849729400715
Energy: 2.2356056631871075
Energy: 2.231133878572234
Energy: 1.9237884401349032
Energy: 2.231533183225995
Energy: 1.8300292349819622
Energy: 2.281106964223096
Energy: 2.1486227846523125
Energy: 2.2811069874847103
Energy: 1.8300292349950726
Energy: 2.2811069616546282
Energy: 2.1333855369274786
Energy: 2.2319981104147453
Energy: 2.2189596213809444
Energy: 2.231998110143483
Energy: 2.1333855369261676
Energy: 2.2319981109978517
Energy: 2.145641268557425
Energy: 2.391040770346933
Energy: 2.0022456862670976
Energy: 2.3910407703600436
Energy: 2.145700754221695
Energy: 2.3910407705762426
Energy: 1.877676646535026
Energy: 2.2246870852845513
Energy: 1.858925348719576
Energy: 2.2246870836989316
Energy: 1.8776766359886414
Energy: 2.224687094115585
Energy: 2.2082530513778296
Energy: 2.566728268014333
Energy: 1.917504375273053
Energy: 2.5667282441957733
Energy: 2.208253050697708
Energy: 2.566728239096857
Energy: 1.8295640747448512
Energy: 2.3236499338871677
Energy: 1.8641145048279324
Energy: 2.323649920933482
Energy: 1.8295640747448512
Energy: 2.3236499293858093
Energy: 2.20669705016785
Energy: 2.2957220993500727
Energy: 2.355948727572816
Energy: 2.295706035950713
Energy: 2.2066971576382124
Energy: 2.2957710804041183
Energy: 2.076353326696584
Energy: 2.3091041769786935
Energy: 2.2218262387214542
Energy: 2.3091041764663225
Energy: 2.076353326696584
Energy: 2.3091041774858496
Energy: 1.9941862175222558
Energy: 2.360682260070192
Energy: 2.2215791698977605
Energy: 2.360680867405734
Energy: 1.9941890208434379
Energy: 2.360683555238054
Energy: 1.8292341233129314
Energy: 2.3219280930776693
Energy: 2.1891987176257097
Energy: 2.3219317036642653
Energy: 1.8292341233142424
Energy: 2.3219296022833213
Energy: 1.8465820283202414
Energy: 2.3236959959214065
Energy: 2.215867473125601
Energy: 2.32369678769482
Energy: 1.8465820288417891
Energy: 2.323694622627871
Energy: 1.8303688574424304
Energy: 2.2884393453078316
Energy: 2.189214708717704
Energy: 2.2884397476687592
Energy: 1.8303688574424304
Energy: 2.288438655979252
Energy: 2.082351200423888
Energy: 2.3304286135908563
Energy: 2.221256504949958
Energy: 2.3304286209542022
Energy: 2.0823512005051716
Energy: 2.330428595999525
Energy: 2.2833739647270175
Energy: 2.3189709224678903
Energy: 2.1941155995313473
Energy: 2.318970929519333
Energy: 2.2833739647270175
Energy: 2.318970863146957

minimum gb energy = 1.8292341233129314 eV
minimum distance =  2.36178348736843 Angstroms
sigma value = 19


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

Energy: 2.332592326252462
Energy: 2.3854832837836235
Energy: 2.136735328040392
Energy: 2.3854832836934508
Energy: 2.332592326252462
Energy: 2.385483283075494
Energy: 1.9820367794813112
Energy: 2.511759097968015
Energy: 2.1290769738955015
Energy: 2.511759097968015
Energy: 1.9820367801948842
Energy: 2.5117590979765696
Energy: 1.9018373501631844
Energy: 2.378858001061522
Energy: 2.0155172929589273
Energy: 2.3775587921292827
Energy: 1.9018373501624066
Energy: 2.37531757255274
Energy: 1.9537361074618766
Energy: 2.413439261098448
Energy: 2.3506913143910433
Energy: 2.4134391751795716
Energy: 1.9537361074797628
Energy: 2.4134393362631443
Energy: 1.9427433406948142
Energy: 2.3991790562665267
Energy: 2.3124945645715975
Energy: 2.3991790559423842
Energy: 1.9427433406948142
Energy: 2.399179056370698
Energy: 2.313184980841659
Energy: 2.3714687702843658
Energy: 1.942005710705764
Energy: 2.3718324211898536
Energy: 2.313184980841659
Energy: 2.3711737619983455
Energy: 2.2395971152740124
Energy: 2.3958865833440854
Energy: 1.9427583861353035
Energy: 2.3958863267705945
Energy: 2.2395971167462627
Energy: 2.395886563807834
Energy: 2.00199503686401
Energy: 2.387121217189237
Energy: 1.9016550988258654
Energy: 2.3871212297786224
Energy: 2.0019821304362972
Energy: 2.38712118657081
Energy: 2.096814076099057
Energy: 2.5077433861592664
Energy: 1.996451609334893
Energy: 2.5077433784700536
Energy: 2.1012873198725743
Energy: 2.507743386919464
Energy: 2.2016219583945214
Energy: 2.3854832839484166
Energy: 2.3325923262649044
Energy: 2.3854832832526944
Energy: 2.2016219584022623
Energy: 2.3854832843588087
Energy: 2.1290769731205286
Energy: 2.5117590975661424
Energy: 2.0070597317611676
Energy: 2.5117590976446507
Energy: 2.129076973266658
Energy: 2.511759097570808
Energy: 2.015522604731389
Energy: 2.375626502043726
Energy: 1.9018373501631844
Energy: 2.376709682024703
Energy: 2.015522766209058
Energy: 2.376785933368799
Energy: 2.3506913144003754
Energy: 2.4134395357716767
Energy: 1.9537361074525448
Energy: 2.413439455531128
Energy: 2.3506913143855996
Energy: 2.413439198599277
Energy: 2.3124945645739308
Energy: 2.3991790548914484
Energy: 1.9427433406917036
Energy: 2.3991790557278563
Energy: 2.312494564573153
Energy: 2.399179054768649
Energy: 1.942005710806789
Energy: 2.3652895904864804
Energy: 2.260115745088623
Energy: 2.369056524600831
Energy: 1.942005710795124
Energy: 2.3721915060826793
Energy: 1.981944810195474
Energy: 2.395886259677507
Energy: 2.2395971039516462
Energy: 2.3958865877529893
Energy: 1.9819448509158364
Energy: 2.395886399623557
Energy: 1.9016550988258654
Energy: 2.3871211769865477
Energy: 2.0019827261441514
Energy: 2.387121227749815
Energy: 1.9016550988250878
Energy: 2.3871212469782193
Energy: 1.9964518943899443
Energy: 2.5077434183898166
Energy: 2.0769960943148456
Energy: 2.507743420195506
Energy: 1.9964518884341698
Energy: 2.5077434166081987
Energy: 2.3325923262602384
Energy: 2.385483285707482
Energy: 2.2016219587722876
Energy: 2.385483285796065
Energy: 2.3325923262594603
Energy: 2.3854832850762704
Energy: 2.007059732692379
Energy: 2.5117590979781244
Energy: 2.1290769738364346
Energy: 2.5117590979804576
Energy: 2.0070597326651964
Energy: 2.5117590979835684
Energy: 1.9018373501631844
Energy: 2.379865925023357
Energy: 2.015527963804978
Energy: 2.376350445632602
Energy: 1.9018373501631844
Energy: 2.3750079551473653
Energy: 1.9537361074852067
Energy: 2.41343956222291
Energy: 2.350691314393376
Energy: 2.4134389213640146
Energy: 1.9537361074440258
Energy: 2.4134391587588357
Energy: 1.9427433406901484
Energy: 2.39917905583277
Energy: 2.3124945645762636
Energy: 2.3991790552358103
Energy: 1.9427433406854824
Energy: 2.399179055965714
Energy: 2.170413150948793
Energy: 2.3717909345816923
Energy: 1.9420057106031485
Energy: 2.3666281387861865
Energy: 2.1704131509635687
Energy: 2.3719447723316756
Energy: 2.2395970928570637
Energy: 2.3958857775041302
Energy: 1.9819453117324968
Energy: 2.395885723190106
Energy: 2.2395970939515126
Energy: 2.3958856000907724
Energy: 2.0019649595992104
Energy: 2.387121249197482
Energy: 1.9016550988258654
Energy: 2.387121216626459
Energy: 2.0002573339008634
Energy: 2.387121187399442
Energy: 2.0951637338952276
Energy: 2.5077433760137464
Energy: 1.9964529273695861
Energy: 2.507743368609829
Energy: 2.0953497337525953
Energy: 2.507743377164187
Energy: 2.2016219586059385
Energy: 2.385483286146648
Energy: 2.3325923262757913
Energy: 2.3854832852278784
Energy: 2.201621958563168
Energy: 2.385483286326216
Energy: 2.1290769729215535
Energy: 2.511759097552144
Energy: 2.0070597314448015
Energy: 2.5117590976267645
Energy: 2.1290769735294006
Energy: 2.511759097552144
Energy: 2.0155325122348344
Energy: 2.3761343139297795
Energy: 1.9018373501631844
Energy: 2.378069182532419
Energy: 2.0155322359945163
Energy: 2.374914000341238

minimum gb energy = 1.9016550988250878 eV
minimum distance =  2.32905220494725 Angstroms
sigma value = 27


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

Energy: 1.7810144596550697
Energy: 2.1731548433735783
Energy: 2.332299406599434
Energy: 2.173154848721973
Energy: 1.7810144597007433
Energy: 2.173154839378939
Energy: 1.6797070348256278
Energy: 2.014568155578101
Energy: 1.7346271298584106
Energy: 2.0332859364074163
Energy: 1.6797070348256278
Energy: 2.062997960756965
Energy: 1.6765008453991468
Energy: 2.453360651360631
Energy: 1.8347116320076673
Energy: 2.4532842555303596
Energy: 1.6765008453991468
Energy: 2.4533622607282766
Energy: 1.7906261379221982
Energy: 2.184672434174437
Energy: 1.6838611556129244
Energy: 2.1846724453053197
Energy: 1.7906261379183885
Energy: 2.18467245071086
Energy: 1.7370001105288164
Energy: 2.179450233605544
Energy: 2.124880527532728
Energy: 2.1794502357151857
Energy: 1.7370001105288164
Energy: 2.1794502370289823
Energy: 1.688035791822885
Energy: 2.4190799651563957
Energy: 1.7336693181277931
Energy: 2.418760101089281
Energy: 1.68803579182479
Energy: 2.4200923793789895
Energy: 1.6956326365098253
Energy: 2.1137576205088395
Energy: 1.6834365260195372
Energy: 2.1137576490025554
Energy: 1.6956326365041108
Energy: 2.113757627898344
Energy: 1.7825670998843903
Energy: 2.1671694697760935
Energy: 1.74868060247925
Energy: 2.1671694697912893
Energy: 1.7825670998843903
Energy: 2.167169469838911
Energy: 1.6844992114630015
Energy: 2.2415258563045346
Energy: 2.034446041439105
Energy: 2.241499719159065
Energy: 1.6844992593910515
Energy: 2.241532787149351
Energy: 1.6892851163537006
Energy: 2.4072145673905503
Energy: 1.6939149615648126
Energy: 2.4072180615122916
Energy: 1.6892851163632252
Energy: 2.4072045959013186
Energy: 1.7893554801835998
Energy: 2.2451360622424636
Energy: 1.680434422189629
Energy: 2.2451364708362407
Energy: 1.7893554802597513
Energy: 2.2451368262849214
Energy: 1.7392897749257985
Energy: 2.174168758007979
Energy: 1.7905955857476896
Energy: 2.1741687580098836
Energy: 1.7392896084456588
Energy: 2.174168758007979

minimum gb energy = 1.6765008453991468 eV
minimum distance =  2.35556453052154 Angstroms
sigma value = 9


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

Energy: 2.3768339222713135
Energy: 2.443369518311585
Energy: 2.2549258443747826
Energy: 2.445800604445216
Energy: 2.3768339222899972
Energy: 2.446239125323068
Energy: 2.0375418273947554
Energy: 2.450906953934249
Energy: 2.014111730056711
Energy: 2.450907917004801
Energy: 2.0375418161285306
Energy: 2.450905597004548
Energy: 1.9075591548340762
Energy: 2.5046849673812726
Energy: 1.9772766235011556
Energy: 2.50468496875942
Energy: 1.9075591548330055
Energy: 2.5046849721571056
Energy: 1.9251766763785727
Energy: 2.445937912516631
Energy: 1.9583744784173949
Energy: 2.4459386432542396
Energy: 1.9251766764026577
Energy: 2.4459380567237883
Energy: 1.899257808490302
Energy: 2.4691414029626313
Energy: 1.961818902176613
Energy: 2.469141400691101
Energy: 1.8992578084886964
Energy: 2.4691414034917223
Energy: 1.8779094943374743
Energy: 2.347549484599073
Energy: 2.091698237032158
Energy: 2.436132421542065
Energy: 1.8779094943374743
Energy: 2.2850047960985402
Energy: 2.1064518560447105
Energy: 2.4784501865431072
Energy: 2.0668559524762484
Energy: 2.478450182177108
Energy: 2.10645185604257
Energy: 2.4784501944555353
Energy: 2.085219844833651
Energy: 2.4416917032235874
Energy: 2.085538309072912
Energy: 2.44169170315941
Energy: 2.0852198449620554
Energy: 2.4416917032674763
Energy: 2.0233851383035852
Energy: 2.4538626797247907
Energy: 2.072343408112517
Energy: 2.3821277746530263
Energy: 2.0233851351728775
Energy: 2.453853698801807
Energy: 2.110783483792503
Energy: 2.478921991737542
Energy: 1.9358981063419365
Energy: 2.478921884804353
Energy: 2.1107834837930386
Energy: 2.4789200108958904
Energy: 2.1090942347924115
Energy: 2.4302876259447377
Energy: 2.0526828083489317
Energy: 2.430287540183562
Energy: 2.109094235106441
Energy: 2.4302875213564037
Energy: 1.9148056859344624
Energy: 2.479194680483979
Energy: 1.948294310048433
Energy: 2.4791946804540066
Energy: 1.9148056859323217
Energy: 2.479194680604891
Energy: 1.9766812532353073
Energy: 2.305185395387937
Energy: 2.014175044312364
Energy: 2.3051863105084007
Energy: 1.9766812532320959
Energy: 2.305186829874835
Energy: 2.112534471266187
Energy: 2.529110718704333
Energy: 2.2698782290957475
Energy: 2.529110718692023
Energy: 2.1125344712710046
Energy: 2.529110718674409
Energy: 1.9259080186935544
Energy: 2.433994219382198
Energy: 1.982615099098088
Energy: 2.433994316667478
Energy: 1.9259080186887374
Energy: 2.4339942215291184
Energy: 2.0384227596283346
Energy: 2.4365379215371434
Energy: 1.9519212287824403
Energy: 2.436596580983092
Energy: 2.0384227597465703
Energy: 2.432878256933598
Energy: 2.1401748245311336
Energy: 2.589368123991929
Energy: 1.9217442674191538
Energy: 2.589368123996746
Energy: 2.1401748245375565
Energy: 2.589368123984436
Energy: 1.9499373635454165
Energy: 2.329230845547928
Energy: 1.9398599379609485
Energy: 2.329240391983444
Energy: 1.9499373791803172
Energy: 2.3292101073987133
Energy: 2.0878908751852525
Energy: 2.4607746281690352
Energy: 1.898126261488227
Energy: 2.4607682669830426
Energy: 2.087890881509872
Energy: 2.4607640256997994
Energy: 1.910170399909431
Energy: 2.490732862127547
Energy: 1.9121982426972868
Energy: 2.4935776058097163
Energy: 1.9101709034071703
Energy: 2.5015836149563824
Energy: 1.9003766879371822
Energy: 2.4533891189282064
Energy: 2.0859655726155575
Energy: 2.4533924188072143
Energy: 1.9003766879366468
Energy: 2.453399463456421
Energy: 1.9432833151290232
Energy: 2.294343808728837
Energy: 1.9468517774236638
Energy: 2.3045735806964722
Energy: 1.9432833151252769
Energy: 2.294298736031586
Energy: 1.922479386590738
Energy: 2.485302397848666
Energy: 2.138875910024541
Energy: 2.48530239584679
Energy: 1.9224793863981555
Energy: 2.4853023980295226
Energy: 1.9627553683308065
Energy: 2.428673813963589
Energy: 2.040918479096966
Energy: 2.416875815004414
Energy: 1.9627553683308065
Energy: 2.435360600898977
Energy: 1.9843700328625327
Energy: 2.4483673290822026
Energy: 1.9264274820169924
Energy: 2.4485246821937534
Energy: 1.98437003236502
Energy: 2.442812237910785
Energy: 2.2956112666383452
Energy: 2.4733872094450366
Energy: 2.1060476063786138
Energy: 2.473388618122175
Energy: 2.295611266510476
Energy: 2.473382356116878
Energy: 2.012467648991148
Energy: 2.288886955299059
Energy: 1.9724720120790518
Energy: 2.2796404379018433
Energy: 2.012470553178115
Energy: 2.2838917980401208
Energy: 1.949017041257513
Energy: 2.4413846418432392
Energy: 1.913946940359858
Energy: 2.433618561619898
Energy: 1.9490170412617946
Energy: 2.4342600511121506
Energy: 2.050050062100517
Energy: 2.425588236780916
Energy: 2.0303250164577387
Energy: 2.42558447542828
Energy: 2.050050062110686
Energy: 2.425592452476907
Energy: 1.9748453967032433
Energy: 2.494788738041138
Energy: 2.114457347420341
Energy: 2.4947887470925183
Energy: 1.974845396701638
Energy: 2.494788713774763
Energy: 2.034384060911033
Energy: 2.453852501046499
Energy: 2.0270766499154655
Energy: 2.4538512169292055
Energy: 2.034384060965041
Energy: 2.4538680435011764
Energy: 2.151110820670717
Energy: 2.4361767653742055
Energy: 2.084471692878782
Energy: 2.436176769303123
Energy: 2.1511108206658998
Energy: 2.4361767651281006
Energy: 2.0651666851018446
Energy: 2.4187430524387423
Energy: 2.3736568885813747
Energy: 2.4186984927780033
Energy: 2.065166639494423
Energy: 2.418625887305037
Energy: 2.092086804085227
Energy: 2.2857363883475768
Energy: 1.8805065822680893
Energy: 2.288585821556177
Energy: 2.0920868040889737
Energy: 2.387926482335352
Energy: 1.9594166940691278
Energy: 2.547062802888842
Energy: 1.9007519946275233
Energy: 2.547062802893124
Energy: 1.9627554813478136
Energy: 2.547062802902758
Energy: 1.9750904384335377
Energy: 2.4495452230415933
Energy: 1.989588157064764
Energy: 2.4495452626202754
Energy: 1.975090318049202
Energy: 2.4495452295459494
Energy: 1.9729443600402092
Energy: 2.50082033417932
Energy: 1.9055846721776108
Energy: 2.5008202775924544
Energy: 1.9729443693949624
Energy: 2.5008203910561777
Energy: 2.0205705278931894
Energy: 2.4509053916898957
Energy: 2.036178545867778
Energy: 2.450905668916031
Energy: 2.02057052561256
Energy: 2.444962452973917
Energy: 2.259718251562419
Energy: 2.446386484601906
Energy: 2.376833923695441
Energy: 2.446238393549173
Energy: 2.259718251568841
Energy: 2.4461742736958434
Energy: 2.0141117300444007
Energy: 2.4025043340751835
Energy: 2.0375418241185166
Energy: 2.427971759365376
Energy: 2.0141117300947116
Energy: 2.4025598156421
Energy: 1.9772779652523056
Energy: 2.5046849741900243
Energy: 1.9075591548351467
Energy: 2.504684974048239
Energy: 1.977275950236399
Energy: 2.504684970757014
Energy: 1.9587759876252173
Energy: 2.445938618578663
Energy: 1.9251766763149298
Energy: 2.4459382684614432
Energy: 1.958765185216319
Energy: 2.44580249968368
Energy: 1.9361853874395127
Energy: 2.4691414012442774
Energy: 1.899257808465195
Energy: 2.4691414019001674
Energy: 1.937860689334942
Energy: 2.4691414003449585

minimum gb energy = 1.8779094943374743 eV
minimum distance =  2.32108125866283 Angstroms
sigma value = 57


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

Energy: 1.9980875205265027
Energy: 2.3971484786008306
Energy: 2.248670480949653
Energy: 2.397148479383903
Energy: 1.9980875205971123
Energy: 2.397148480580995
Energy: 2.3260377229915585
Energy: 2.443350894094174
Energy: 1.8881216930833986
Energy: 2.443350886956534
Energy: 2.326858679022379
Energy: 2.4433508764175715
Energy: 1.71981170095789
Energy: 2.2837982780513015
Energy: 1.9614869824322678
Energy: 2.2837379257930692
Energy: 1.7198117009566714
Energy: 2.2838696668291822
Energy: 1.740569623061779
Energy: 2.3084656737664737
Energy: 1.7887164715254504
Energy: 2.3084656735874303
Energy: 1.740569623045996
Energy: 2.3084656730625395
Energy: 1.7358838672156889
Energy: 2.3668631886977223
Energy: 1.88589547454403
Energy: 2.3668631486023357
Energy: 1.735883867216907
Energy: 2.3668631755672562
Energy: 2.3590455684985567
Energy: 2.346216054388855
Energy: 1.7248443126948407
Energy: 2.3462160495053994
Energy: 2.3590455685009935
Energy: 2.346216054995321
Energy: 2.359180979265721
Energy: 2.2835859229807114
Energy: 1.7915419525538647
Energy: 2.2820605887139087
Energy: 2.359180979257192
Energy: 2.2836102852322724
Energy: 1.7345149996502107
Energy: 2.5357123647236657
Energy: 1.8810627862341156
Energy: 2.5357123647261024
Energy: 1.7345149996672677
Energy: 2.535712364694425
Energy: 1.7388922957897364
Energy: 2.296167271121134
Energy: 1.833008655209541
Energy: 2.29616727495359
Energy: 1.7388922957885178
Energy: 2.296167263092044
Energy: 1.7150559199431685
Energy: 2.3449092555667654
Energy: 1.9619646103641846
Energy: 2.3449092557531186
Energy: 1.71505591994195
Energy: 2.344909255452295
Energy: 2.3595162869941397
Energy: 2.4433508814398093
Energy: 1.886644402024062
Energy: 2.4433508868615577
Energy: 2.3595162869941397
Energy: 2.4433508797044245
Energy: 1.9980875209064644
Energy: 2.397148479975748
Energy: 2.192321759098079
Energy: 2.3971484794107067
Energy: 1.998087520891844
Energy: 2.3971484808367394
Energy: 2.3277293399672265
Energy: 2.443350898844884
Energy: 1.8465128784295886
Energy: 2.4433509029062805
Energy: 2.3277418643243903
Energy: 2.4433508830315387
Energy: 1.7198117009542346
Energy: 2.283812444041749
Energy: 1.9614871081670342
Energy: 2.2837687689248685
Energy: 1.7198117009517981
Energy: 2.2838775887268246
Energy: 1.740569623053306
Energy: 2.308465674617718
Energy: 1.7887011757832019
Energy: 2.308465674294964
Energy: 1.740569623053306
Energy: 2.3084656730552293
Energy: 1.7358838672193437
Energy: 2.366863050158899
Energy: 1.7855835717707154
Energy: 2.3668631331835726
Energy: 1.7358838672193437
Energy: 2.3668631086116734
Energy: 2.3590455684985567
Energy: 2.3462160526668723
Energy: 1.7240153369878883
Energy: 2.3462160490060944
Energy: 2.359045568507085
Energy: 2.3462160560998733
Energy: 2.359180979296124
Energy: 2.2836770422803547
Energy: 1.7915420121160643
Energy: 2.283664687900025
Energy: 2.3591809792949614
Energy: 2.283686356636136
Energy: 1.7345149996246805
Energy: 2.5357123647127007
Energy: 1.8810627865191005
Energy: 2.535712364704172
Energy: 1.7345149996210256
Energy: 2.535712364691989

minimum gb energy = 1.71505591994195 eV
minimum distance =  2.3331806892611 Angstroms
sigma value = 11


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

Energy: 1.9117750545027532
Energy: 2.295421844383368
Energy: 2.2078302688369145
Energy: 2.295421787485068
Energy: 1.911775041414254
Energy: 2.295422014855393
Energy: 2.1159478982998827
Energy: 2.3779247634672753
Energy: 1.777394896641292
Energy: 2.3779247626225106
Energy: 2.115947898297205
Energy: 2.3779246588911227
Energy: 1.877145674492043
Energy: 2.302937569698427
Energy: 1.954274037957736
Energy: 2.3029375760669413
Energy: 1.8771456744911508
Energy: 2.3029375603503572
Energy: 1.9263779791191118
Energy: 2.2634331014844102
Energy: 1.768707562647648
Energy: 2.2634331391255293
Energy: 1.9260561270429009
Energy: 2.263433011046709
Energy: 1.7095195361197608
Energy: 2.2929641852605176
Energy: 1.7940591887853752
Energy: 2.2929641852640876
Energy: 1.7095195361161908
Energy: 2.2929641852587324
Energy: 1.7302877467582078
Energy: 2.2657897286036013
Energy: 1.8135524579286946
Energy: 2.2657897249834944
Energy: 1.7302877467617779
Energy: 2.2657897237890428
Energy: 1.7272205051910559
Energy: 2.382296448094018
Energy: 1.7517089398497538
Energy: 2.3822964486542464
Energy: 1.7272205051910559
Energy: 2.3822964478032342
Energy: 2.1504135320472675
Energy: 2.431880015261682
Energy: 1.8490788843523163
Energy: 2.431880015259897
Energy: 2.150413532073068
Energy: 2.4318800152625744
Energy: 2.170504992020653
Energy: 2.3720890136060127
Energy: 2.125457406147559
Energy: 2.3720890136015504
Energy: 2.1705049920215456
Energy: 2.3720890135944104
Energy: 1.746749989192446
Energy: 2.3271357034916447
Energy: 1.7860143744104546
Energy: 2.327135703425602
Energy: 1.7467499892316336
Energy: 2.327135702904642
Energy: 1.7273840845386925
Energy: 2.2796390060741043
Energy: 1.7530074121265007
Energy: 2.2796390060848144
Energy: 1.7273840845351225
Energy: 2.2796390060642873
Energy: 1.715289739449436
Energy: 2.277194587814515
Energy: 1.7745862918926711
Energy: 2.277194736358355
Energy: 1.7152897394521132
Energy: 2.2771944561860926
Energy: 2.143729874533111
Energy: 1.87975640318935
Energy: 1.7895091274321009
Energy: 1.886143329941503
Energy: 2.143729874531326
Energy: 1.8796959636193606
Energy: 1.8706815078932024
Energy: 2.240728429447503
Energy: 1.78415176584217
Energy: 2.2407285582203422
Energy: 1.870681507894095
Energy: 2.24072856568619
Energy: 2.114946125873904
Energy: 2.388486014359302
Energy: 1.7511849601717924
Energy: 2.388485841948829
Energy: 2.1149464522976062
Energy: 2.3884857277042895
Energy: 1.9143344171354064
Energy: 2.3274711634936693
Energy: 1.996985979961267
Energy: 2.3274711634856367
Energy: 1.9143344171371914
Energy: 2.3274711634980503
Energy: 2.480100520531166
Energy: 2.3573597064511254
Energy: 1.7831927957225016
Energy: 2.3564977054501415
Energy: 2.480100518556938
Energy: 2.3566186176514816
Energy: 1.8695023534777617
Energy: 2.2528172187599536
Energy: 1.8195806813758872
Energy: 2.239149181221289
Energy: 1.8695023534777617
Energy: 2.2527930575817794
Energy: 1.923552581131417
Energy: 1.9105234198611811
Energy: 1.7547339045499137
Energy: 2.1133873486338812
Energy: 1.923551700299017
Energy: 2.2330721893013727
Energy: 1.7255014831254685
Energy: 2.297771030068922
Energy: 1.7537610599795992
Energy: 2.2977710293079685
Energy: 1.7255014831040492
Energy: 2.297771030397189
Energy: 2.227021715898574
Energy: 2.2664843216118955
Energy: 1.8143610928130707
Energy: 2.2664843216083255
Energy: 2.227021715872773
Energy: 2.2664843216663364
Energy: 1.736653037661516
Energy: 2.3067765996766183
Energy: 1.9889360193314212
Energy: 2.3067694290083516
Energy: 1.736653037654376
Energy: 2.3067885537083463
Energy: 2.149545349976641
Energy: 2.281675585609966
Energy: 1.8705266601185606
Energy: 2.281675585608182
Energy: 2.1495453459908633
Energy: 2.2816755856063966
Energy: 1.7190801351366063
Energy: 2.32424136923511
Energy: 2.1705371267567988
Energy: 2.324224181093892
Energy: 1.7190801351821225
Energy: 2.3243396541057026
Energy: 1.742134928808958
Energy: 2.3701152225443347
Energy: 1.8107923668750787
Energy: 2.370115223831603
Energy: 1.7421349288143126
Energy: 2.3701152221134336
Energy: 1.7389810037672708
Energy: 2.2991784256835
Energy: 1.73735961706312
Energy: 2.29917906899647
Energy: 1.7389810037529911
Energy: 2.299179631646979

minimum gb energy = 1.7095195361161908 eV
minimum distance =  2.35850005884495 Angstroms
sigma value = 41


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

Energy: 2.39659080161792
Energy: 2.279127638392031
Energy: 2.1721664084620356
Energy: 2.2791276419680226
Energy: 2.3965908016186233
Energy: 2.279127634881425
Energy: 2.454676240692017
Energy: 2.2801670978778605
Energy: 1.690956339483318
Energy: 2.2801613078155074
Energy: 2.454676240687093
Energy: 2.2801488857967427
Energy: 1.7929198347830013
Energy: 2.1874587940721057
Energy: 1.9115839881829948
Energy: 2.1874588042313032
Energy: 1.7929198347822977
Energy: 2.18745880000775
Energy: 2.220937514419427
Energy: 2.039788820994555
Energy: 1.6935730702064982
Energy: 2.035764351856631
Energy: 2.220937514419427
Energy: 1.9850090682462267
Energy: 1.7631195093875915
Energy: 2.1771682841430584
Energy: 1.703967767203643
Energy: 2.177247098163902
Energy: 1.7631195093875915
Energy: 2.1771716677696595
Energy: 1.9843385046127997
Energy: 2.1763205654848448
Energy: 1.6897809745840586
Energy: 2.176294974964957
Energy: 1.9843385045987314
Energy: 2.1764975896799377
Energy: 1.6537503232173991
Energy: 2.203035354936527
Energy: 1.6693718054701931
Energy: 2.203035354449953
Energy: 1.6537503241574552
Energy: 2.2030353550209054
Energy: 2.0694722930010654
Energy: 2.1822226355599295
Energy: 1.7425573644828274
Energy: 2.1822053979211455
Energy: 2.0694722930784093
Energy: 2.180350870180174
Energy: 1.682088627355038
Energy: 2.2036354082288803
Energy: 1.9414744437293732
Energy: 2.2036354466818087
Energy: 1.6820886273290117
Energy: 2.2036354126429964
Energy: 1.99274485602064
Energy: 2.219056043907193
Energy: 2.1738734592626057
Energy: 2.21905604582951
Energy: 1.9927449082903221
Energy: 2.219056040026045
Energy: 1.9885670584578656
Energy: 2.2149196924829466
Energy: 2.0266346742779717
Energy: 2.2149193761557924
Energy: 1.9885666898694696
Energy: 2.214918434350292
Energy: 1.686637353077919
Energy: 2.3127709616834946
Energy: 1.7378780252463826
Energy: 2.2182261156684575
Energy: 1.6866373530772156
Energy: 2.3127709616525443
Energy: 1.698504221285819
Energy: 2.156985192941545
Energy: 1.942382971526154
Energy: 2.157000787979618
Energy: 1.698504221285819
Energy: 2.1569701721485908
Energy: 1.6537518739375103
Energy: 2.181346919452947
Energy: 1.6958521910753899
Energy: 2.1813469194606845
Energy: 1.653751873943841
Energy: 2.1813469171460516
Energy: 1.9944153368640667
Energy: 2.1884306028363905
Energy: 1.6738904987552938
Energy: 2.18843060298964
Energy: 1.9944153368640667
Energy: 2.1884306027576392
Energy: 1.758538626369259
Energy: 2.2334358640500294
Energy: 1.6879897442827847
Energy: 2.2598122249645707
Energy: 1.758538626369259
Energy: 2.2547154263394438
Energy: 1.969083012836283
Energy: 2.254623663950986
Energy: 1.70359491271241
Energy: 2.254616035497903
Energy: 1.9690829737962874
Energy: 2.2546255784727247
Energy: 1.7876331180362088
Energy: 2.183931349030658
Energy: 1.7208219355879553
Energy: 2.1839313495854005
Energy: 1.7876331180362088
Energy: 2.1839313487353498
Energy: 2.4703771778364443
Energy: 2.2635217012657454
Energy: 1.671354060004979
Energy: 1.9105980579647128
Energy: 2.470377214503487
Energy: 2.2231488250817275
Energy: 2.361668412257982
Energy: 2.225302316089305
Energy: 2.0242090173077765
Energy: 2.284832036599413
Energy: 2.3616684122600917
Energy: 2.2259016661692117
Energy: 2.4799126931487554
Energy: 2.22410940795058
Energy: 1.697631663063631
Energy: 2.2048744061246537
Energy: 2.4799126931677473
Energy: 2.226813450692807
Energy: 1.7877758919177504
Energy: 2.208428280482382
Energy: 1.7214896548321603
Energy: 2.2084282802208377
Energy: 1.7877758919023072
Energy: 2.208428280620923
Energy: 2.2166216567043633
Energy: 2.1812111882036453
Energy: 1.667527837294112
Energy: 2.1812111358981205
Energy: 2.216621655888748
Energy: 2.181211183107532
Energy: 1.7593014184785094
Energy: 2.212808058615377
Energy: 1.8504605118382078
Energy: 2.2128080585640273
Energy: 1.7593014184806197
Energy: 2.2128080586069356
Energy: 2.0466555583499435
Energy: 2.1703378147942707
Energy: 1.7274140826739666
Energy: 2.170340958443393
Energy: 2.0466555583499435
Energy: 2.170337587280807
Energy: 1.6608931277976975
Energy: 2.1575116757178963
Energy: 1.8271148097274814
Energy: 2.1535420443169246
Energy: 1.6608931277990722
Energy: 2.1574662113234804
Energy: 2.0862724644107136
Energy: 2.17029932168389
Energy: 1.7565247923170326
Energy: 2.170295009829508
Energy: 2.0862724644198583
Energy: 2.1703048916027594
Energy: 1.6912711803877944
Energy: 2.2012156577250086
Energy: 2.136588950921049
Energy: 2.2012157383742075
Energy: 1.6912711803877944
Energy: 2.201215915247108
Energy: 2.0200528447075468
Energy: 2.18324859189248
Energy: 2.2805186444059173
Energy: 2.1980028298309926
Energy: 2.020052844702623
Energy: 2.1883943563624464
Energy: 1.6650050152995508
Energy: 2.15393148715149
Energy: 2.047732912516455
Energy: 2.153640202914744
Energy: 1.6650050153122127
Energy: 2.153657819100007
Energy: 1.6950628891396822
Energy: 2.190512322306432
Energy: 1.7587368713252427
Energy: 2.1905122098817364
Energy: 1.6950628891403854
Energy: 2.190512336924029
Energy: 1.6922495452247022
Energy: 2.197117701828915
Energy: 2.0022231182960755
Energy: 2.2081391069597505
Energy: 1.6922495452254054
Energy: 2.199174794948571
Energy: 1.6723563760227558
Energy: 2.1935231866693767
Energy: 1.7234131432703585
Energy: 2.193518917056956
Energy: 1.6723563760234592
Energy: 2.1935235482653694

minimum gb energy = 1.6537503232173991 eV
minimum distance =  2.38323056896461 Angstroms
sigma value = 33


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

Energy: 2.119201692429372
Energy: 2.1494356676379365
Energy: 1.8089426424177624
Energy: 2.149440444697789
Energy: 2.119201692424929
Energy: 2.1494310445179554
Energy: 2.734433957855573
Energy: 2.068007106818542
Energy: 1.571362660855061
Energy: 2.0679699614249487
Energy: 2.7344339582572386
Energy: 2.067970779019225
Energy: 2.071914312747124
Energy: 2.0956655574444523
Energy: 1.7946265575171332
Energy: 2.0956757567073616
Energy: 2.071914312761889
Energy: 2.0956392447213026
Energy: 2.4973123541521782
Energy: 1.9149244451264251
Energy: 1.5770910984536075
Energy: 1.881551562231506
Energy: 2.4973123544526863
Energy: 1.8702426879043932
Energy: 1.6677225122924781
Energy: 2.0650440775845804
Energy: 1.5873791791030962
Energy: 2.065044076356383
Energy: 1.6677225122919845
Energy: 2.065044081268681
Energy: 2.0822367595194953
Energy: 2.078658822920969
Energy: 1.5808621137665062
Energy: 2.078658822909121
Energy: 2.0822367594874516
Energy: 2.0786588225947904
Energy: 1.6372887010919843
Energy: 2.0362179656528414
Energy: 1.571348385074424
Energy: 2.0362296097212793
Energy: 1.6372887010702628
Energy: 2.0247467890331188
Energy: 1.935365786733355
Energy: 2.0134819867028235
Energy: 1.587752526259187
Energy: 2.013482183180297
Energy: 1.9353657867787721
Energy: 2.0134818447527705
Energy: 1.5769721753820116
Energy: 2.0568786914015735
Energy: 1.7761662644680924
Energy: 2.0568786910473005
Energy: 1.5769721753612775
Energy: 2.056878691499275
Energy: 1.7672143432927105
Energy: 2.023072312954098
Energy: 1.888637815274532
Energy: 2.0230542503602384
Energy: 1.767214343017379
Energy: 2.0229360623780583
Energy: 1.5654511750363282
Energy: 2.047876345747494
Energy: 1.8133917077516142
Energy: 2.0478784514347708
Energy: 1.565451175038303
Energy: 2.0479602559917605
Energy: 2.109884992755817
Energy: 2.0460765473775946
Energy: 1.9635115269782097
Energy: 2.046076692540476
Energy: 2.1098849927464376
Energy: 2.046075925803926
Energy: 1.7927482150927563
Energy: 2.071882591852362
Energy: 2.206853670956049
Energy: 2.0718825916066503
Energy: 1.7927482150922627
Energy: 2.071882592074422
Energy: 1.7939317267119306
Energy: 2.058560209774482
Energy: 2.3675025257250892
Energy: 2.0585626974996694
Energy: 1.7939317267346393
Energy: 2.057821971934006
Energy: 1.7784802959420147
Energy: 2.071491838936091
Energy: 2.2131596907328177
Energy: 2.071491850548389
Energy: 1.7784827695570848
Energy: 2.0714918394561916
Energy: 1.7923297167051677
Energy: 2.0625344845522506
Energy: 1.9468344901397618
Energy: 2.06254836919827
Energy: 1.7923297167022056
Energy: 2.0624616156243363
Energy: 1.7863498489377838
Energy: 2.077782585300339
Energy: 2.111261534145809
Energy: 2.0777825851779546
Energy: 1.7863498489486445
Energy: 2.0777825854241594
Energy: 1.5595754741836252
Energy: 2.0603961606399506
Energy: 1.9042775671707548
Energy: 2.0646194738452603
Energy: 1.559575590924452
Energy: 2.0603151689075636
Energy: 1.7785520715959058
Energy: 2.0640979007203564
Energy: 1.804276232971262
Energy: 2.06409145445625
Energy: 1.7785520723913375
Energy: 2.064100363559041
Energy: 1.5855242760966686
Energy: 2.1010898862603584
Energy: 1.5885186912780809
Energy: 2.10108980947005
Energy: 1.5855242760956811
Energy: 2.1010898866027836
Energy: 1.7805236420476358
Energy: 2.0521750914726984
Energy: 1.7571065286227991
Energy: 2.0521750909876486
Energy: 1.7805236470230335
Energy: 2.0521750926135622
Energy: 1.6141546526449184
Energy: 2.0570872342981215
Energy: 1.5717751403283275
Energy: 2.057087237598822
Energy: 1.6141546526770065
Energy: 2.0570872389360306
Energy: 2.1024810985697355
Energy: 2.0948134983937945
Energy: 1.5652167985723398
Energy: 2.094813499805053
Energy: 2.102481098582077
Energy: 2.0948134978781376
Energy: 1.6480562934230836
Energy: 2.059251987293467
Energy: 1.5815905404075006
Energy: 2.0592519753767116
Energy: 1.648056293453691
Energy: 2.0592519944830054
Energy: 2.310682137786463
Energy: 2.0699623082673533
Energy: 1.7415502355585752
Energy: 2.0699623511612923
Energy: 2.3106821378639237
Energy: 2.0699623068210444
Energy: 2.0097134734357107
Energy: 2.0542016340912346
Energy: 1.5866273713759933
Energy: 2.054203018966072
Energy: 2.0097134725553687
Energy: 2.0542025474814047
Energy: 2.760967454357066
Energy: 1.9656329836436743
Energy: 1.5623412998245008
Energy: 1.9709240543305386
Energy: 2.760967449183753
Energy: 1.972112114165686
Energy: 2.086116328256093
Energy: 2.0817755799751247
Energy: 1.8116787195623478
Energy: 2.0817743105186266
Energy: 2.086116328258068
Energy: 2.081776623909806
Energy: 2.3855905868637777
Energy: 2.0386123385818578
Energy: 1.7764860008391083
Energy: 2.0386124087945063
Energy: 2.385590586863284
Energy: 2.038612117385101
Energy: 2.0384245945450012
Energy: 2.0530011718766885
Energy: 1.8241176547065858
Energy: 2.0530814960663277
Energy: 2.0384245945716586
Energy: 2.0541411203163156
Energy: 2.308909683061924
Energy: 1.8639128676864396
Energy: 1.5592828965094099
Energy: 1.8269778939553165
Energy: 2.308909684669572
Energy: 1.8504302665050394
Energy: 1.6474502664520765
Energy: 2.0181683744578103
Energy: 1.8400501789474077
Energy: 2.017853223198746
Energy: 1.647450254187959
Energy: 2.018168533244816
Energy: 1.9407834055432553
Energy: 2.024192377556177
Energy: 1.5785130498895734
Energy: 2.024192377768858
Energy: 1.9407834055442428
Energy: 2.0241921471768594
Energy: 1.6236595483025529
Energy: 2.0348677866148552
Energy: 2.140674916661623
Energy: 2.045653523580134
Energy: 1.6236595483035403
Energy: 2.026235774232255
Energy: 2.153795927993363
Energy: 2.043297640027696
Energy: 1.6143880812001232
Energy: 2.04329764050193
Energy: 2.1537959279953376
Energy: 2.0432976443680584
Energy: 1.5792489267384469
Energy: 2.0184527992747836
Energy: 1.951486240784735
Energy: 2.0256498949559436
Energy: 1.5792489267374596
Energy: 2.0202057362089665
Energy: 1.8496305891421432
Energy: 2.0211279713615977
Energy: 1.6529551101661952
Energy: 2.0206397527028446
Energy: 1.8496305891357254
Energy: 2.020955937021516
Energy: 1.564441921935253
Energy: 2.0214559683204123
Energy: 2.3052501052097463
Energy: 1.889057654510413
Energy: 1.5644419219308099
Energy: 1.879386922552466
Energy: 1.8241176627685225
Energy: 2.0604257255900533
Energy: 2.0273811617115767
Energy: 2.0515399272020605
Energy: 1.8241176630300762
Energy: 2.060461177040855
Energy: 1.7173359067775187
Energy: 2.034641143987604
Energy: 2.3258911103639512
Energy: 2.0346411285920234
Energy: 1.7173359067775187
Energy: 2.0346411498314962
Energy: 1.8139536875820128
Energy: 2.0618267979421643
Energy: 2.0883361288901496
Energy: 2.061826722018869
Energy: 1.8139536855401177
Energy: 2.061826880121428
Energy: 1.5617946649234045
Energy: 2.0310605535899606
Energy: 2.7703567215405753
Energy: 2.0310664818362847
Energy: 1.5617946649303158
Energy: 2.0310280277719563
Energy: 1.5833385010397345
Energy: 2.0511557786154313
Energy: 2.039344751981602
Energy: 2.051093191117842
Energy: 1.583338501038747
Energy: 2.051094810219904
Energy: 1.6857744303006348
Energy: 2.056391841966223
Energy: 2.1219748349982077
Energy: 2.056391772299301
Energy: 1.685774434271914
Energy: 2.056391864512835
Energy: 1.5771600184169543
Energy: 2.0727642540399045
Energy: 1.6659037718898044
Energy: 2.0727643762925205
Energy: 1.5771600184164607
Energy: 2.072764248064742
Energy: 1.567989793108071
Energy: 2.0948134990130773
Energy: 2.0928517981687387
Energy: 2.094813498437686
Energy: 1.5679897929600608
Energy: 2.0948134991492395
Energy: 1.5739653354054999
Energy: 2.056645436944942
Energy: 1.6192249461634496
Energy: 2.0566454535588465
Energy: 1.5739653354671632
Energy: 2.056645427651845

minimum gb energy = 1.5592828965094099 eV
minimum distance =  2.40565859320494 Angstroms
sigma value = 67


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

Energy: 0.6605208071495977
Energy: 0.6607112189826686
Energy: 1.9464689179798058
Energy: 0.6607112189783944
Energy: 0.6605208071495977
Energy: 0.6607112189813563
Energy: 0.6011361050841596
Energy: 1.5278778551857608
Energy: 1.3825022653782708
Energy: 1.527877855157754
Energy: 0.6011361050841596
Energy: 1.5278778552708687
Energy: 0.6605208071495977
Energy: 0.6607112189823311
Energy: 1.9464689179794683
Energy: 0.6607112189806814
Energy: 0.6605208071495977
Energy: 0.660711218980344
Energy: 0.6011361050844971
Energy: 1.5278778552151175
Energy: 1.3825022653776333
Energy: 1.5278778551597039
Energy: 0.6011361050844971
Energy: 1.527877855274468
Energy: 0.6605208071495977
Energy: 0.6607112189836434
Energy: 2.811265479493048
Energy: 0.6607112189797066
Energy: 0.6605208071495977
Energy: 0.6607112189833434
Energy: 0.6011361050841596
Energy: 1.5278778551989582
Energy: 1.382502265378608
Energy: 1.527877855146844
Energy: 0.6011361050841596
Energy: 1.527877855262283
Energy: 0.6605208071495977
Energy: 0.6607112189843183
Energy: 2.827152967436014
Energy: 0.6607112189786943
Energy: 0.6605208071495977
Energy: 0.6607112189852931

minimum gb energy = 0.6011361050841596 eV
minimum distance =  2.68003294381025 Angstroms
sigma value = 3


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

Energy: 2.4425743471711114
Energy: 2.1150642358986413
Energy: 2.060025337836275
Energy: 2.114982779872452
Energy: 2.4425743471724175
Energy: 2.115061686199736
Energy: 2.8969583094354343
Energy: 1.9154520110252176
Energy: 1.5725115017196083
Energy: 1.96007577535098
Energy: 2.8969583126325116
Energy: 1.9571984909282076
Energy: 2.3042585138444758
Energy: 2.077453658329549
Energy: 1.9523945816368027
Energy: 2.0925934478550867
Energy: 2.3042585140949257
Energy: 2.08352171805383
Energy: 2.676010725586139
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Energy: 1.989869892847165
Energy: 2.2353005790673013
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Energy: 1.6335430439804948
Energy: 1.9892469919405844
Energy: 1.6338495404698368
Energy: 2.040055085597374
Energy: 1.9411766732958977
Energy: 2.040055080446736
Energy: 1.6338495404694284
Energy: 2.0400550997421787
Energy: 1.574277168675574
Energy: 1.9604377053923248
Energy: 2.181412574446465
Energy: 1.979613339551786
Energy: 1.5742771687212889
Energy: 1.9796067113272244
Energy: 1.632114344160686
Energy: 2.056700489394595
Energy: 2.3026284582471512
Energy: 2.05670055945135
Energy: 1.6321143443962791
Energy: 2.056700536420215
Energy: 1.5761322309051888
Energy: 1.9166380514565464
Energy: 2.595939048658165
Energy: 1.8095292554607798
Energy: 1.5761322309949855
Energy: 1.8430112595404944
Energy: 1.5592006818874373
Energy: 2.0763512379504676
Energy: 2.2383057530847004
Energy: 2.076349605560266
Energy: 1.5592006817707018
Energy: 2.076349572322959
Energy: 1.5745296842610825
Energy: 1.961961873536984
Energy: 2.4050075569438074
Energy: 1.7698728903477035
Energy: 1.574529688447797
Energy: 1.9458154376148917
Energy: 1.6263797230515877
Energy: 2.0568871390803016
Energy: 2.3115604142889197
Energy: 2.056887607404089
Energy: 1.626379783513846
Energy: 2.0568860030767193
Energy: 1.5950300554120707
Energy: 1.8464075484220568
Energy: 2.5415238721537867
Energy: 1.838107693210527
Energy: 1.5950300554426013
Energy: 1.8473262600908855
Energy: 1.6701275097644432
Energy: 2.0354594386156273
Energy: 1.9688239754459353
Energy: 2.027227272473086
Energy: 1.6701275097630557
Energy: 2.029359964308185
Energy: 1.6600559920160884
Energy: 2.052524196954908
Energy: 2.1203596572773336
Energy: 2.0364861063835233
Energy: 1.660055992771847
Energy: 2.0517143009446652
Energy: 1.876399491155344
Energy: 2.0148926322511627
Energy: 1.929987631258276
Energy: 2.029447690438307
Energy: 1.8763420390184926
Energy: 2.015597655212536

minimum gb energy = 1.5497977215999679 eV
minimum distance =  2.34547184131645 Angstroms
sigma value = 81


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

Energy: 2.3238333913494995
Energy: 2.2727940049407342
Energy: 2.2220442018302444
Energy: 2.2728002252233703
Energy: 2.323833391359975
Energy: 2.272791319751602
Energy: 2.724196362360874
Energy: 1.7520545534736998
Energy: 1.6831082508526145
Energy: 1.7621901096836874
Energy: 2.724196352005547
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Energy: 2.260430213933184
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Energy: 1.8714068677623583
Energy: 1.6904251117465456
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Energy: 2.2168666808805324
Energy: 1.7849627428865775
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Energy: 2.2090192423464727
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Energy: 1.784098551457735
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Energy: 2.1314810172176895
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Energy: 2.127211295447086
Energy: 1.7581359955713534
Energy: 2.147017950372965
Energy: 1.766805075904093
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Energy: 1.828809319493125
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Energy: 1.7668050828889665
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Energy: 1.76144344681768
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Energy: 2.14790475878559
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Energy: 2.252652461444091
Energy: 1.6926501767891056
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Energy: 2.2526524614293013
Energy: 2.1456181204259104
Energy: 2.185556336248922
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Energy: 2.1855508780574318
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Energy: 2.1024740456388273
Energy: 1.6844264249050447
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Energy: 1.670109962257292
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Energy: 2.6692180057162056
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Energy: 2.199702734157826
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Energy: 2.20416145111697
Energy: 2.143483637522187
Energy: 2.2040636591519704
Energy: 2.10279947397589
Energy: 2.1774433132261346
Energy: 1.7272605079503256
Energy: 2.177443489699555
Energy: 2.102799474012191
Energy: 2.1774432083202617
Energy: 2.1224735618818102
Energy: 2.1494827862522055
Energy: 1.7748471990641952
Energy: 2.1513381477793825
Energy: 2.122473561877497
Energy: 2.1541736828502853
Energy: 1.76759933172807
Energy: 2.192798301273569
Energy: 1.9026809622342997
Energy: 2.1927982990660393
Energy: 1.7675993317243728
Energy: 2.1927983018562913
Energy: 1.76400829973927
Energy: 2.2039121051710873
Energy: 1.8330573023422918
Energy: 2.2039121054605433
Energy: 1.7640083015058097
Energy: 2.203912105079886
Energy: 1.7679805480801387
Energy: 2.1471990862136265
Energy: 2.1061592687718456
Energy: 2.146493240772861
Energy: 1.767980548081371
Energy: 2.152947085024798
Energy: 1.7597883945608506
Energy: 2.1813820873011727
Energy: 2.179529634002131
Energy: 2.1813820874095717
Energy: 1.7597883945824182
Energy: 2.181382087389853
Energy: 1.6807226392586025
Energy: 2.151741614564121
Energy: 2.3805025978923604
Energy: 2.151738228227671
Energy: 1.6807226392579864
Energy: 2.1517422774567834
Energy: 1.6614156798343431
Energy: 2.2084910020213173
Energy: 2.12798872834725
Energy: 2.208491122072073
Energy: 1.6614156807182292
Energy: 2.208475661399011
Energy: 1.6939061779169449
Energy: 1.9460806955429482
Energy: 2.314482313320064
Energy: 1.9316396314692694
Energy: 1.6939061778990743
Energy: 1.862375663566787
Energy: 1.7765187163545542
Energy: 2.1943398217137964
Energy: 2.1809849174158833
Energy: 2.194339819841939
Energy: 1.776518716315732
Energy: 2.1943398209444713
Energy: 1.703009290721264
Energy: 2.003811300522972
Energy: 2.238504718379884
Energy: 2.039068473366375
Energy: 1.7030092731359194
Energy: 1.9517559196526302
Energy: 1.7423702490828559
Energy: 2.1402325896893566
Energy: 1.8309780271261122
Energy: 2.133901503331744
Energy: 1.7423707144766674
Energy: 2.119232236528401
Energy: 1.8087078106357222
Energy: 2.212356635900855
Energy: 1.9337842570118515
Energy: 2.210401994786656
Energy: 1.8087078106357222
Energy: 2.212355670094693

minimum gb energy = 1.6614156798343431 eV
minimum distance =  2.27624818456604 Angstroms
sigma value = 43


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

Energy: 2.2800744176031493
Energy: 2.3158370716805576
Energy: 2.342568414755474
Energy: 2.3158370742816716
Energy: 2.280074417603906
Energy: 2.315837071722911
Energy: 2.5325859089131413
Energy: 1.8659161072278136
Energy: 1.7323616998506566
Energy: 1.8662090995783658
Energy: 2.532585908974452
Energy: 1.8727471380416318
Energy: 1.8552789251668347
Energy: 2.2847023766194963
Energy: 1.9729180742885988
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Energy: 2.2847016163083422
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Energy: 1.8289260010788089
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Energy: 2.296086313269875
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Energy: 1.9893716711966936
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Energy: 1.7939779197077694
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Energy: 2.2335329909467063
Energy: 1.8334606550161874
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Energy: 1.7908632215752964
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Energy: 2.277273422467741
Energy: 1.7441768479763193
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Energy: 2.277273422633437
Energy: 1.7349085993819133
Energy: 2.2244366719716884
Energy: 1.7056487578615667
Energy: 2.224436867722896
Energy: 1.73490859927825
Energy: 2.224436511294135
Energy: 2.1174345620859487
Energy: 2.1087871827885287
Energy: 1.7313184740254624
Energy: 2.0649834318179283
Energy: 2.1174345620859487
Energy: 2.037845360870141
Energy: 2.1241659456258084
Energy: 2.184065803369099
Energy: 1.9531940004409674
Energy: 2.1823724792416876
Energy: 2.1241659456258084
Energy: 2.1855454000835213
Energy: 2.192221927531432
Energy: 2.262759486193112
Energy: 1.7308559844403961
Energy: 2.2627594861878135
Energy: 2.192221928342504
Energy: 2.262759486203709
Energy: 2.1951641251209537
Energy: 2.2621528740321244
Energy: 1.735198166534143
Energy: 2.2621528740835943
Energy: 2.1951641251171687
Energy: 2.2621528740102077
Energy: 2.1178407018847336
Energy: 2.2943999623388347
Energy: 1.7488101152114586
Energy: 2.2943999623388347
Energy: 2.1178407018847336
Energy: 2.2943999623373212
Energy: 2.1227467989013853
Energy: 2.355577503233824
Energy: 1.7344559535640098
Energy: 2.3555775032345814
Energy: 2.122746798902142
Energy: 2.3555775032300397
Energy: 1.7310731404563247
Energy: 2.2360683963937587
Energy: 1.7074958348578957
Energy: 2.2360683976776974
Energy: 1.7310731406114244
Energy: 2.2360684108800335
Energy: 1.7358094135643196
Energy: 2.2516334407494276
Energy: 1.7388015724667885
Energy: 2.2516334406208203
Energy: 1.7358094126579102
Energy: 2.251633440625362
Energy: 1.7321186025715458
Energy: 2.2511300759322417
Energy: 1.7244443213699188
Energy: 2.251128601549228
Energy: 1.7321186025730595
Energy: 2.2511300550097206
Energy: 1.7376661112326317
Energy: 2.333121872845747
Energy: 1.8266867366824104
Energy: 2.333142435463528
Energy: 1.7376661111872167
Energy: 2.3331446551395136
Energy: 1.733315407807681
Energy: 2.2501472199409447
Energy: 2.123739840836322
Energy: 2.257429736310379
Energy: 1.733315407807681
Energy: 2.2510556486537583
Energy: 1.7094678588795558
Energy: 2.2604000074733572
Energy: 2.2097986537432925
Energy: 2.260397215470344
Energy: 1.7094678590997154
Energy: 2.2603548713782344
Energy: 1.735769064948949
Energy: 2.3063138132334404
Energy: 2.2315560832353056
Energy: 2.3063137733925805
Energy: 1.7357690649504627
Energy: 2.306313851779765
Energy: 1.784805889828799
Energy: 2.2269207712907977
Energy: 1.8262572810111835
Energy: 2.2269206472908065
Energy: 1.784805889828799
Energy: 2.226920849538021
Energy: 1.7463301117650172
Energy: 1.982395270271609
Energy: 1.9559427525500988
Energy: 1.977667863107849
Energy: 1.7463301117650172
Energy: 2.0519133972172545
Energy: 1.7181693815570056
Energy: 2.212757235197677
Energy: 1.7575807643509138
Energy: 2.2127295045281303
Energy: 1.7181727088069059
Energy: 2.2127332184852317

minimum gb energy = 1.7056487578615667 eV
minimum distance =  2.32003301023443 Angstroms
sigma value = 57


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

Energy: 1.9460466451476486
Energy: 2.37641511561846
Energy: 2.161165918575483
Energy: 2.376410650755268
Energy: 1.9460466451486287
Energy: 2.376417892428569
Energy: 2.163010155194276
Energy: 1.940632033632887
Energy: 1.794548358800281
Energy: 1.939638913255664
Energy: 2.1630101565304365
Energy: 1.9367636213967436
Energy: 1.8065007744193096
Energy: 2.3813083869608422
Energy: 2.0402752714146004
Energy: 2.3813083868305855
Energy: 1.80650077442029
Energy: 2.381308385806882
Energy: 1.7871507476304067
Energy: 1.8991938829068111
Energy: 1.7808521510090785
Energy: 1.8795972503281884
Energy: 1.787149506318455
Energy: 1.901484544801936
Energy: 1.774061798110979
Energy: 1.881027222551112
Energy: 2.0083331663210524
Energy: 1.8591164498895807
Energy: 1.774061798110979
Energy: 1.862081740856172
Energy: 2.0581878920370715
Energy: 2.3419110199763216
Energy: 1.7893638220287729
Energy: 2.341911020445541
Energy: 2.0581878920478522
Energy: 2.341911018515695
Energy: 1.7762567695647153
Energy: 2.141673973131006
Energy: 2.1317476831671307
Energy: 2.17925343274689
Energy: 1.7762567695656952
Energy: 2.205091166075314
Energy: 1.80919371130866
Energy: 2.3539869209478996
Energy: 1.9275889678390694
Energy: 2.353986627223118
Energy: 1.8091937113076801
Energy: 2.3539877018453303
Energy: 1.776476460052797
Energy: 2.02996915848819
Energy: 2.142513273973156
Energy: 2.0299703679235863
Energy: 1.7764764600449565
Energy: 2.029969329353017
Energy: 1.7676017071778516
Energy: 2.3577348936379336
Energy: 1.790092225516054
Energy: 2.3577348939445546
Energy: 1.7676017071788315
Energy: 2.3577348933636535
Energy: 1.7782509614585174
Energy: 1.7871346173892106
Energy: 1.7650179935432126
Energy: 1.7837473172705862
Energy: 1.7782509614585174
Energy: 1.7942340785170963
Energy: 1.7771365493597995
Energy: 2.1240148068853566
Energy: 1.7817223472911659
Energy: 2.1151798557871593
Energy: 1.7771365493637195
Energy: 2.136167522374639
Energy: 1.7783654100807265
Energy: 2.348062516744884
Energy: 1.8188565763639426
Energy: 2.3480625166361437
Energy: 1.7783654100768063
Energy: 2.348062516825203
Energy: 2.384549521767311
Energy: 2.3459229119316514
Energy: 1.772179541876442
Energy: 2.345922915046819
Energy: 2.384549521768291
Energy: 2.345922913146375
Energy: 2.3918357784368305
Energy: 2.3571032379281434
Energy: 1.782019288657384
Energy: 2.357103237873261
Energy: 2.3918357784378106
Energy: 2.357103237990822
Energy: 1.7786718288553123
Energy: 2.359339973562973
Energy: 1.7816200008614655
Energy: 2.359339973562973
Energy: 1.7786718288562922
Energy: 2.359339973562973
Energy: 1.7781732311117016
Energy: 2.191344038963784
Energy: 1.7839880382606363
Energy: 2.1914195943677006
Energy: 1.7781732311156218
Energy: 2.1913097541175994
Energy: 1.7615707367569817
Energy: 2.232455123206787
Energy: 1.7678316791518418
Energy: 2.232467433087064
Energy: 1.7615707367560016
Energy: 2.2324298574823978
Energy: 1.777211944158686
Energy: 2.1683951962094667
Energy: 1.7786262379437534
Energy: 2.1904904582157676
Energy: 1.7772119441616263
Energy: 2.1699268807721905
Energy: 1.783950960649137
Energy: 2.3671633622160075
Energy: 1.7770156095993361
Energy: 2.367163362219928
Energy: 1.783950960651097
Energy: 2.3671633622111066
Energy: 1.7814744688100006
Energy: 2.3617730697228683
Energy: 2.401811568995982
Energy: 2.3617730697238484
Energy: 1.7814744688109807
Energy: 2.3617730697218886
Energy: 1.7732110714098885
Energy: 2.156506689151753
Energy: 2.3829368431202034
Energy: 2.156495902431423
Energy: 1.7732110714098885
Energy: 2.1565029418815187
Energy: 1.8745157754303192
Energy: 2.3468374631778097
Energy: 1.776110334180404
Energy: 2.346837463504032
Energy: 1.8745157754303192
Energy: 2.3468374631141513
Energy: 1.7830307228358528
Energy: 2.1132549163524996
Energy: 1.77572260113637
Energy: 2.1703247146330513
Energy: 1.7830307228329128
Energy: 2.116189896582003

minimum gb energy = 1.7615707367560016 eV
minimum distance =  2.30696054599919 Angstroms
sigma value = 17


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

Energy: 1.8068870863591215
Energy: 1.812560430566118
Energy: 2.617857064776724
Energy: 1.8125603992953205
Energy: 1.8068870863591215
Energy: 1.8125602074173894
Energy: 1.8777985329944011
Energy: 1.812021379324747
Energy: 1.7767663308025403
Energy: 1.785870174581141
Energy: 1.8777985325898794
Energy: 1.7972488994494393
Energy: 1.7667345253627098
Energy: 1.7656518837228994
Energy: 2.1041155605395123
Energy: 1.7655893186645737
Energy: 1.7667345253627098
Energy: 1.7659852811299581
Energy: 1.8518317862442661
Energy: 1.8788880103560284
Energy: 1.7698461922635254
Energy: 1.7751831798278428
Energy: 1.8518317862484246
Energy: 1.878937967840492
Energy: 1.7708414460079547
Energy: 1.778843927609629
Energy: 2.2514992229518564
Energy: 1.7772220522499278
Energy: 1.7708414460079547
Energy: 1.8037352880844557
Energy: 1.8036606934827637
Energy: 1.8421658962776328
Energy: 1.8048713333800757
Energy: 1.846126969192555
Energy: 1.8036606900040724
Energy: 1.8081320903159877
Energy: 1.7877231127018276
Energy: 2.323567515171811
Energy: 1.8143170761087442
Energy: 2.323567514799136
Energy: 1.7877231127045996
Energy: 2.323567514393228
Energy: 1.813748067104973
Energy: 2.2658937771130754
Energy: 1.7667385348064077
Energy: 2.299869657183272
Energy: 1.8137480652984226
Energy: 2.3003616328470193
Energy: 1.7727601413796903
Energy: 1.961872401560637
Energy: 2.0270922126634976
Energy: 1.9618664822153058
Energy: 1.7727601413783356
Energy: 1.961870942075166
Energy: 1.88319192775198
Energy: 1.7687488557820383
Energy: 1.7778319490761956
Energy: 1.7730631346479846
Energy: 1.8831919277547517
Energy: 1.7666017799404348
Energy: 1.8076917069545018
Energy: 1.8552375024482788
Energy: 1.8012743197501506
Energy: 1.810838292019809
Energy: 1.8076917069545018
Energy: 1.8266871632444437
Energy: 1.8159273539435699
Energy: 1.8277073457271933
Energy: 1.7897582259158615
Energy: 1.8985338912407173
Energy: 1.815927353940798
Energy: 1.8429780774882036
Energy: 1.771862420332382
Energy: 2.1575892438822133
Energy: 1.7991986205757062
Energy: 2.1575854214052343
Energy: 1.771862420332382
Energy: 2.157589910849892
Energy: 1.8521520325361416
Energy: 1.7988451592159966
Energy: 1.7864081306480808
Energy: 1.8033469093170709
Energy: 1.8521520325513565
Energy: 1.7812873572676722
Energy: 1.8070074942751384
Energy: 2.4772217952118987
Energy: 1.8450403601566825
Energy: 2.477221795218829
Energy: 1.8070074942737526
Energy: 2.477221795204969
Energy: 1.8295525882970582
Energy: 2.493497257093867
Energy: 1.820597073300638
Energy: 2.493497257091095
Energy: 1.8295525882970582
Energy: 2.493497257095253
Energy: 1.805253400273105
Energy: 1.7925168711156636
Energy: 1.8060921381540112
Energy: 1.8842024676364941
Energy: 1.8052534002537013
Energy: 1.8595638955500393

minimum gb energy = 1.7655893186645737 eV
minimum distance =  2.41821510273638 Angstroms
sigma value = 17


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

Energy: 2.4388669956147875
Energy: 2.665056020574741
Energy: 2.542683953424301
Energy: 2.665056020582234
Energy: 2.438866995615323
Energy: 2.6650560205383944
Energy: 2.229281195939842
Energy: 1.8537461346981046
Energy: 1.780413059302362
Energy: 1.841591524434002
Energy: 2.229292913569777
Energy: 1.8701059745157482
Energy: 1.7900824690157764
Energy: 2.021290835882197
Energy: 2.1287334169415284
Energy: 2.0590044537966983
Energy: 1.7900824690157764
Energy: 1.9807224387634597
Energy: 2.0414606396219024
Energy: 2.405517175257078
Energy: 1.9394034993877254
Energy: 2.40552461973851
Energy: 2.0414750486210242
Energy: 2.405517896216816
Energy: 1.7877362701955308
Energy: 1.8657419877269426
Energy: 2.2789975809325154
Energy: 1.8924388099660558
Energy: 1.787736270196066
Energy: 1.9014384888239029
Energy: 2.0073407285380553
Energy: 2.422397620086984
Energy: 1.9841600325403468
Energy: 2.4223988626771935
Energy: 2.0073407274750075
Energy: 2.4223999980501087
Energy: 1.7861763775786925
Energy: 2.020030327130143
Energy: 2.3007957614148453
Energy: 2.055093186128954
Energy: 1.7861763775781574
Energy: 2.1149798825059323
Energy: 2.3725714488204326
Energy: 2.1435648450331377
Energy: 1.7769604441777256
Energy: 2.157874095993824
Energy: 2.3725714699672418
Energy: 2.1538370962517623
Energy: 1.983882767590389
Energy: 2.4369671980943557
Energy: 1.935171151786015
Energy: 2.436967155553512
Energy: 1.983882767595206
Energy: 2.436967291156492
Energy: 2.3650245703427144
Energy: 1.9814185001681424
Energy: 1.7996411633280447
Energy: 1.9233896986242045
Energy: 2.3650244977330592
Energy: 2.1699806749569253
Energy: 1.9361560221053096
Energy: 2.504803201770819
Energy: 1.9756163585795212
Energy: 2.5048678417165875
Energy: 1.936156022151339
Energy: 2.504754891289685
Energy: 1.9053596671985196
Energy: 2.384340596994063
Energy: 1.8202721168025804
Energy: 2.435958252358429
Energy: 1.9053592107382171
Energy: 2.4182336349539666
Energy: 1.794767590219023
Energy: 1.834464367717231
Energy: 2.4605608889043404
Energy: 2.168272750539769
Energy: 1.7947675902163955
Energy: 1.8165001329182868
Energy: 1.859318893174587
Energy: 2.6303982788762457
Energy: 2.4020461336684185
Energy: 2.630398278812068
Energy: 1.8593189568050685
Energy: 2.630398280761005
Energy: 1.8593608307529927
Energy: 2.6262276937199367
Energy: 1.98329680688573
Energy: 2.626227694741237
Energy: 1.859360830754063
Energy: 2.6262276901660146
Energy: 1.970610690063902
Energy: 2.639094877128119
Energy: 1.8136200813883459
Energy: 2.5992908180440235
Energy: 1.9706106900398173
Energy: 2.6390948770901184
Energy: 1.957932535047535
Energy: 2.5515372562719176
Energy: 1.8383909063630652
Energy: 2.551537256360181
Energy: 1.9579325350421828
Energy: 2.5515372562376637
Energy: 2.3729067155211854
Energy: 2.672737660334263
Energy: 1.8344667970342585
Energy: 2.6727376603347985
Energy: 2.3729074618129244
Energy: 2.67273766032677
Energy: 2.364237876817989
Energy: 2.3454111122667336
Energy: 1.8260086902104762
Energy: 2.354838587175888
Energy: 2.364237876815848
Energy: 2.3466527862296385
Energy: 1.8658233171621537
Energy: 2.668786056808775
Energy: 1.8397402259501003
Energy: 2.656544666341911
Energy: 1.8658233171621537
Energy: 2.634930114351672
Energy: 1.8311112126214846
Energy: 2.3565701445496092
Energy: 2.2865598388839223
Energy: 2.355524654331164
Energy: 1.8311112126519438
Energy: 2.3625500139247797
Energy: 1.8837149774938737
Energy: 2.649161293105007
Energy: 2.3759954477353395
Energy: 2.649161275425364
Energy: 1.8837149774944089
Energy: 2.6491612943488136
Energy: 1.8441881668148117
Energy: 2.52940091124269
Energy: 1.9668853153006027
Energy: 2.5294009113132905
Energy: 1.844188007133758
Energy: 2.5294009112416194
Energy: 1.8161868618208477
Energy: 2.624632711372826
Energy: 1.9715030490657273
Energy: 2.506213047237746
Energy: 1.8161868618176362
Energy: 2.6246327113712202
Energy: 1.9786625688525643
Energy: 2.6191819113871837
Energy: 1.8370274042578332
Energy: 2.619181911631683
Energy: 1.9786625688883757
Energy: 2.619181911201559
Energy: 2.4133142342395644
Energy: 2.6314239515645172
Energy: 1.863106526472534
Energy: 2.631423946577417
Energy: 2.4133142342379585
Energy: 2.631423953004702
Energy: 2.434002857826161
Energy: 1.822195640852656
Energy: 1.7969983417598296
Energy: 1.912204096267786
Energy: 2.434002971423105
Energy: 2.153071627802404
Energy: 1.8174705983163155
Energy: 2.41010040297612
Energy: 1.9282379947681203
Energy: 2.429628812690753
Energy: 1.8174705983157802
Energy: 2.427762447805927
Energy: 1.9763984966498174
Energy: 2.501848445724267
Energy: 1.949959645710448
Energy: 2.501848431929168
Energy: 1.9763984966771133
Energy: 2.501848393985393
Energy: 1.7972660217388339
Energy: 1.946403209513167
Energy: 2.3817907433337275
Energy: 2.0416275113568463
Energy: 1.7972660217377636
Energy: 1.9351884757013553
Energy: 1.9346488695766897
Energy: 2.3973401612355496
Energy: 2.0028265543066954
Energy: 2.4005623242827347
Energy: 1.9346488695654502
Energy: 2.425551278454891
Energy: 1.7777389976536162
Energy: 2.200471975337092
Energy: 2.3837640618242895
Energy: 2.1684178825022355
Energy: 1.7777389976546867
Energy: 2.2005510618785427
Energy: 2.2929515081468006
Energy: 2.0319793451658037
Energy: 1.788972228865322
Energy: 2.0236704143595032
Energy: 2.2929515081158063
Energy: 2.0057627691103157
Energy: 1.9853541101025027
Energy: 2.4345413722016547
Energy: 2.003400381034534
Energy: 2.434544395712051
Energy: 1.9853541101019674
Energy: 2.43431065397755
Energy: 2.2869834113731313
Energy: 1.8828327893115315
Energy: 1.7870416146727177
Energy: 1.8954322027710362
Energy: 2.286983412152074
Energy: 1.8803259087244273
Energy: 1.9447341476395763
Energy: 2.378348290536112
Energy: 1.9797634961643484
Energy: 2.3770524520742744
Energy: 1.9447341476401117
Energy: 2.3886382582216306
Energy: 2.139583261493635
Energy: 2.061066511760967
Energy: 1.7960670547690203
Energy: 2.0321746426782035
Energy: 2.1395832613802166
Energy: 1.9992440384416466
Energy: 1.7835122244754953
Energy: 1.850093692841073
Energy: 2.241368850504568
Energy: 1.8521412079949195
Energy: 1.7835122244760306
Energy: 1.904902888072637
Energy: 2.233564145704886
Energy: 2.6650560205742058
Energy: 2.4388669956147875
Energy: 2.665056020591868
Energy: 2.233564174369859
Energy: 2.665056020607924
Energy: 1.7804130592986156
Energy: 1.8840173939978462
Energy: 2.229321521659997
Energy: 1.8556985127443255
Energy: 1.7804130592943337
Energy: 1.8561134272459945
Energy: 2.1287334500501083
Energy: 2.0677491877877032
Energy: 1.7900824690147061
Energy: 2.0526947267691433
Energy: 2.1287334382248195
Energy: 2.083141188017326
Energy: 1.939403499343302
Energy: 2.4055160706564513
Energy: 2.0379540640268963
Energy: 2.4055090473717926
Energy: 1.9394034993566822
Energy: 2.4055154069598066
Energy: 2.2789975811577468
Energy: 1.8792182252629501
Energy: 1.7877362701976718
Energy: 1.8865382064638652
Energy: 2.2789975811331264
Energy: 1.8759704054114024

minimum gb energy = 1.7769604441777256 eV
minimum distance =  2.3750844299716 Angstroms
sigma value = 57


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

Energy: 2.224881287007105
Energy: 2.6428992530894444
Energy: 2.3807394208806234
Energy: 2.642899251666097
Energy: 2.224881287003699
Energy: 2.6428992533550844
Energy: 2.091651792654636
Energy: 2.0010560726737854
Energy: 1.8064267720559635
Energy: 1.9557471335786925
Energy: 2.0913495940029345
Energy: 1.8436214545797556
Energy: 1.800331066602945
Energy: 2.320084343566416
Energy: 1.959549659313809
Energy: 2.320084337092509
Energy: 1.8003310666046874
Energy: 2.320084345434054
Energy: 2.080002763725024
Energy: 2.006879758829403
Energy: 2.1526386832865065
Energy: 1.9886468666707056
Energy: 2.0800039258446166
Energy: 2.0547407371823936
Energy: 1.7367447751001208
Energy: 2.108627398478509
Energy: 2.089132280446291
Energy: 2.1108774770842853
Energy: 1.7367447751027354
Energy: 2.1040151667443268
Energy: 2.1603071292532428
Energy: 2.2923123291254983
Energy: 2.1456004072524926
Energy: 2.2778116990301998
Energy: 2.1605589935043135
Energy: 2.2840688896345767
Energy: 1.8063257990968302
Energy: 2.3252246170745354
Energy: 1.9741846533079597
Energy: 2.301881468588101
Energy: 1.8063257990994444
Energy: 2.3251569582205356
Energy: 2.2104569982346605
Energy: 2.0355030482734238
Energy: 1.7970406137542592
Energy: 2.042079362077789
Energy: 2.210566051531163
Energy: 2.109657457732292
Energy: 1.9994496335899876
Energy: 2.613398604594124
Energy: 2.0001409114311395
Energy: 2.6133986045949955
Energy: 1.9994496336030594
Energy: 2.6133986045923807
Energy: 2.154269898678231
Energy: 2.1129703856797972
Energy: 1.801123764074201
Energy: 2.1129658889179503
Energy: 2.161767422798368
Energy: 2.1129692428565123
Energy: 1.824212216998355
Energy: 2.4289422212439455
Energy: 2.210949413248797
Energy: 2.4289422214399474
Energy: 1.8242122170018407
Energy: 2.428942125369185
Energy: 2.000226650887435
Energy: 2.3651581442044933
Energy: 2.151191172843787
Energy: 2.3766983768629375
Energy: 2.0002266509005073
Energy: 2.3622964008549654
Energy: 1.7670416475441137
Energy: 2.3708056786661706
Energy: 2.2135698233345313
Energy: 2.3763947561827763
Energy: 1.7670416475432424
Energy: 2.3714125277979448
Energy: 2.199787288398669
Energy: 2.5622045912270632
Energy: 2.1574025612502106
Energy: 2.5622066300577964
Energy: 2.1997872884195844
Energy: 2.562205486756234
Energy: 1.8398673084653605
Energy: 2.3023756900165786
Energy: 1.8905745421520728
Energy: 2.0507868738331942
Energy: 1.8398673084557742
Energy: 2.024378550874694
Energy: 2.3164806110357716
Energy: 2.4104787866417032
Energy: 1.810510524657838
Energy: 2.371730754697512
Energy: 2.3410638723711172
Energy: 2.410550067884323
Energy: 2.2324525172652434
Energy: 2.6975792472969617
Energy: 1.8848697656041695
Energy: 2.6975870645241606
Energy: 2.2324525172652434
Energy: 2.6975698014455127
Energy: 2.188180336986845
Energy: 2.4733839836705513
Energy: 1.8645331968038945
Energy: 2.4690270337872997
Energy: 2.188180336975516
Energy: 2.4614355022532366
Energy: 1.8380241814836487
Energy: 2.4363728032617895
Energy: 2.185936661122848
Energy: 2.4554328308465347
Energy: 1.8380241814827774
Energy: 2.455436041712358
Energy: 1.968159449048117
Energy: 2.6533774326673063
Energy: 2.171412638476564
Energy: 2.6533774326925794
Energy: 1.9681594490507315
Energy: 2.653377432630705
Energy: 1.7576760622516936
Energy: 2.3530563595554375
Energy: 2.190154629573875
Energy: 2.353211749820377
Energy: 1.7576760609467874
Energy: 2.353195333060778
Energy: 1.882114901240703
Energy: 2.3652391481979103
Energy: 2.169216185746318
Energy: 2.365239622923771
Energy: 1.8821149012380889
Energy: 2.365238955645132
Energy: 1.8450036544735198
Energy: 2.669416415369372
Energy: 1.8515198046070178
Energy: 2.6694164124956625
Energy: 1.8450036556599059
Energy: 2.669416434993115
Energy: 2.027828724596645
Energy: 2.6407142728711555
Energy: 1.8408868696885323
Energy: 2.640714270245736
Energy: 2.0278287247352087
Energy: 2.640714266401606
Energy: 2.0406947090664325
Energy: 2.6542781097224544
Energy: 1.8581602147680853
Energy: 2.654278109612729
Energy: 2.0406947112222884
Energy: 2.6542781098208517
Energy: 1.8779990041492696
Energy: 2.068393847621994
Energy: 1.8802431044140808
Energy: 2.3517021558778666
Energy: 1.8779990042232655
Energy: 2.3181736533450543
Energy: 1.907155182490421
Energy: 2.539351376782562
Energy: 2.160881040922839
Energy: 2.5393307492121773
Energy: 1.907155182490421
Energy: 2.5393713374888893

minimum gb energy = 1.7367447751001208 eV
minimum distance =  2.30350968144856 Angstroms
sigma value = 43


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

Energy: 2.0738980746324933
Energy: 2.4947958063308606
Energy: 2.549397726160513
Energy: 2.4943419607528536
Energy: 2.0738980746318587
Energy: 2.494343648149859
Energy: 2.01083367763486
Energy: 1.8071049080243822
Energy: 1.751999190476062
Energy: 1.8738832260097644
Energy: 2.0175145710045967
Energy: 1.901114244209006
Energy: 1.7525615848336173
Energy: 1.9860503747116636
Energy: 2.181506934144362
Energy: 2.1225826822439715
Energy: 1.7525615848329825
Energy: 2.1225254046348643
Energy: 2.339774568810172
Energy: 2.515984772480318
Energy: 1.9890857681108827
Energy: 2.515984670152398
Energy: 2.3397745685265203
Energy: 2.515984870842129
Energy: 1.7656075677145802
Energy: 1.8912182548123462
Energy: 2.2441926490449737
Energy: 1.883843654305785
Energy: 1.765607567715215
Energy: 1.8856626442028592
Energy: 2.2524765832140177
Energy: 1.9723175006396079
Energy: 1.7834621553658794
Energy: 1.9633753238463894
Energy: 2.252476582850361
Energy: 1.9629773692982437
Energy: 1.7860179459344847
Energy: 1.9667441885935588
Energy: 1.8401255189865768
Energy: 2.122069107572068
Energy: 1.7860179459319447
Energy: 1.9805294686195647
Energy: 2.131841576899178
Energy: 1.8923023271334656
Energy: 1.7736383694408506
Energy: 1.916657051671397
Energy: 2.1318414599248965
Energy: 1.8972227084439086
Energy: 1.98869514643685
Energy: 2.511237831526125
Energy: 2.0874241978842836
Energy: 2.51123783152676
Energy: 1.9886951464438347
Energy: 2.51123783152676
Energy: 2.2563327558869766
Energy: 1.9925254146945643
Energy: 1.7618899867077966
Energy: 2.0408027698294506
Energy: 2.256332756709533
Energy: 1.996079046101595
Energy: 1.760210829191415
Energy: 1.9515985284253037
Energy: 2.378868384297399
Energy: 1.892168243713941
Energy: 1.760210829190145
Energy: 1.9582869733252584
Energy: 1.9233194638683502
Energy: 1.8599193956609479
Energy: 2.0739504852571815
Energy: 1.8095744804570721
Energy: 1.9200374234855409
Energy: 1.8036368125950895
Energy: 1.774965200566974
Energy: 1.8306455443805643
Energy: 2.100861891035672
Energy: 1.8926136886901996
Energy: 1.7749652004831598
Energy: 1.7851367296059566
Energy: 2.1066104534099166
Energy: 2.2491695519798194
Energy: 1.7706262404358784
Energy: 2.28577717212384
Energy: 2.1066104451267984
Energy: 1.7644840922883218
Energy: 1.9977432983210481
Energy: 2.6810170699433082
Energy: 1.982093350929558
Energy: 2.6810170700562725
Energy: 1.9977433007709402
Energy: 2.6810170699845224
Energy: 2.0679972968742866
Energy: 2.0414181184724236
Energy: 1.8053770969046592
Energy: 2.0680670348079895
Energy: 2.067997308771922
Energy: 2.037642176457487
Energy: 1.8097767060958858
Energy: 2.304448023723102
Energy: 1.9989943943574005
Energy: 2.304447457599355
Energy: 1.8097767060863617
Energy: 2.3044541955152646
Energy: 1.8720552883124102
Energy: 1.9885819799521722
Energy: 1.7837110023217706
Energy: 1.967222256592358
Energy: 1.8725613022745926
Energy: 2.169317572558131
Energy: 1.8128481790424058
Energy: 1.8615796181546147
Energy: 2.0662245347986747
Energy: 1.882594784191469
Energy: 1.812848182726075
Energy: 2.017381936440358
Energy: 1.8411175297418343
Energy: 2.331121699698848
Energy: 2.0103812578354066
Energy: 2.3940773904740666
Energy: 1.841124428707623
Energy: 2.471586244684315
Energy: 1.751579950483211
Energy: 2.1222386392991206
Energy: 1.9157020458666316
Energy: 2.0928000074853226
Energy: 1.751578194105953
Energy: 2.114389216524963
Energy: 2.643832400839988
Energy: 1.7634045761133885
Energy: 1.8161009556536503
Energy: 1.7622532751932312
Energy: 2.643832400732103
Energy: 1.7636425965715912
Energy: 2.328652476017913
Energy: 2.362479760734205
Energy: 1.8716031909802398
Energy: 1.7832747451475643
Energy: 2.3286524843962177
Energy: 2.4170130825385097
Energy: 1.8449703946124107
Energy: 2.725310525043424
Energy: 1.8309150631196882
Energy: 2.7253105249888177
Energy: 1.8449703950242666
Energy: 2.725310525078289
Energy: 1.7658135161204138
Energy: 2.4067485162275726
Energy: 2.042144891271222
Energy: 2.3989136079289897
Energy: 1.7658133143555288
Energy: 2.3884601593045365
Energy: 1.8685124541001297
Energy: 2.3578419626534157
Energy: 2.0467006629943576
Energy: 2.330923115560861
Energy: 1.8685124541001297
Energy: 2.1825988569565578
Energy: 1.8562846071133947
Energy: 2.725026843095484
Energy: 2.0328367463268124
Energy: 2.7250218208450585
Energy: 1.8562846071178396
Energy: 2.725028638954547
Energy: 2.008993179262359
Energy: 2.6279788341294923
Energy: 2.003746355888389
Energy: 2.627584035134804
Energy: 2.008993179265534
Energy: 2.628903756578873
Energy: 2.0232359893015497
Energy: 2.7182329000768717
Energy: 1.8291697234780733
Energy: 2.7182329046775906
Energy: 2.0232359893015497
Energy: 2.718232890577696
Energy: 2.0305961498487974
Energy: 2.3347666934268925
Energy: 1.863771755306366
Energy: 2.1623018867491917
Energy: 2.030596151813699
Energy: 2.399883746379569
Energy: 2.0450494663681966
Energy: 2.1105344536276425
Energy: 1.811864165879098
Energy: 2.390266650629218
Energy: 2.0450494663650223
Energy: 2.1292666664883946
Energy: 1.8306044066034508
Energy: 2.722190609453768
Energy: 1.8257575583600318
Energy: 2.7221906081437957
Energy: 1.830597350147059
Energy: 2.722190609760971
Energy: 1.8419134703499607
Energy: 2.361950528629946
Energy: 2.577772065354233
Energy: 2.3712291333430464
Energy: 1.841913438698723
Energy: 2.3661897689123204
Energy: 1.7943619755815092
Energy: 1.9239647826828843
Energy: 2.6434661558183525
Energy: 1.7613735550066754
Energy: 1.7943619755910334
Energy: 1.76599661829676
Energy: 1.8817609273273614
Energy: 2.2134541308990996
Energy: 1.7509361479350076
Energy: 2.0615854003303657
Energy: 1.8817610085161474
Energy: 2.0152901426070837
Energy: 2.041262972878929
Energy: 2.6222903095596393
Energy: 1.8075597568679458
Energy: 2.6207180817719067
Energy: 2.0412629728751193
Energy: 2.61398024052101

minimum gb energy = 1.7509361479350076 eV
minimum distance =  2.34364694651815 Angstroms
sigma value = 81


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

Energy: 1.6498056862223855
Energy: 1.650296610287831
Energy: 3.127724232513191
Energy: 1.65029645190628
Energy: 1.6498056862223855
Energy: 1.6502968529895943
Energy: 2.2879727383919475
Energy: 1.650209306986499
Energy: 1.650091010514922
Energy: 1.6502421950987234
Energy: 2.2879727383921864
Energy: 1.6502359439133867
Energy: 1.6498763977970345
Energy: 1.650479606150115
Energy: 2.3977505561870993
Energy: 1.6506673202451998
Energy: 1.6498763977970345
Energy: 1.650316071206544
Energy: 3.127724232515524
Energy: 1.6502964634370234
Energy: 1.6498056862223855
Energy: 1.6502965491366086
Energy: 3.127724232515524
Energy: 1.650296470130178
Energy: 1.6500910105151607
Energy: 1.6505296673655878
Energy: 2.2879727383917094
Energy: 1.6504952465747935
Energy: 1.6500910105151607
Energy: 1.6503322100572726
Energy: 2.5041400799312616
Energy: 1.650384404430569
Energy: 1.6498763977970345
Energy: 1.8809450483755057
Energy: 2.5041400799410707
Energy: 1.6503838679274032
Energy: 1.6498056862223855
Energy: 1.6502965136808314
Energy: 2.75297870879659
Energy: 1.650296540313949
Energy: 1.6498056862223855
Energy: 1.65029662533188
Energy: 2.287972738391471
Energy: 1.6502274713288083
Energy: 1.650091010514922
Energy: 1.6502607541096914
Energy: 2.287972738391471
Energy: 1.6502055923432526
Energy: 1.6498763977970345
Energy: 1.650461494669427
Energy: 2.504140079942476
Energy: 1.650275534833563
Energy: 1.6498763977970345
Energy: 1.6505086008624787
Energy: 2.426065776182089
Energy: 1.6502966170646813
Energy: 1.6498056862223855
Energy: 1.6502965922537525
Energy: 2.425963299115956
Energy: 1.6502965635281928

minimum gb energy = 1.6498056862223855 eV
minimum distance =  2.50913718212346 Angstroms
sigma value = 3


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

Energy: 2.6037272437493386
Energy: 2.6592526986101195
Energy: 2.8669584713459098
Energy: 2.63296663829255
Energy: 2.6037272436390624
Energy: 2.6512696261161515
Energy: 2.309957058483926
Energy: 2.1832211440891256
Energy: 1.761333518507673
Energy: 2.180670341426748
Energy: 2.311850644083558
Energy: 2.1435068114164295
Energy: 1.769145081754663
Energy: 1.9795107532758887
Energy: 2.2780945829361126
Energy: 1.8166972250052638
Energy: 1.769145081754663
Energy: 1.9581302723505598
Energy: 2.4775593343609073
Energy: 2.5955490185612344
Energy: 2.0402616057804535
Energy: 2.609093157863008
Energy: 2.4775591785387685
Energy: 2.6166069097412397
Energy: 1.980719823104845
Energy: 2.211391299762203
Energy: 2.648071689983536
Energy: 2.211428828342082
Energy: 1.980719823104147
Energy: 2.2183155132215027
Energy: 2.122448985186509
Energy: 1.9883927024958743
Energy: 1.72905178257686
Energy: 1.9080730867635294
Energy: 2.110908297167646
Energy: 1.9437822339244184
Energy: 1.977125571500064
Energy: 2.1664137351262664
Energy: 2.0683877516448526
Energy: 2.1664147267579374
Energy: 1.9771255712565363
Energy: 2.166413163064767
Energy: 2.0667196468663365
Energy: 2.611797790222974
Energy: 2.0377572952922978
Energy: 2.6232966129590065
Energy: 2.0715918816537444
Energy: 2.6358271780174083
Energy: 1.7982311687090127
Energy: 2.0800417986144235
Energy: 2.5064577588713375
Energy: 2.1087039848615596
Energy: 1.7982311687097108
Energy: 2.086582621052812
Energy: 1.952311821881061
Energy: 1.954850346376188
Energy: 1.7686737459087167
Energy: 1.9288793718477675
Energy: 1.952311821850342
Energy: 2.2309166825234565
Energy: 2.392067981801131
Energy: 2.5185268631369695
Energy: 2.078259192354143
Energy: 1.7410591948899705
Energy: 2.392067984046795
Energy: 2.51852762828945
Energy: 2.434245739172626
Energy: 2.3137268677931804
Energy: 1.7860459017718051
Energy: 2.2385218195171843
Energy: 2.434245744721841
Energy: 2.2210116357709397
Energy: 1.7914170705735348
Energy: 2.094276915368704
Energy: 1.8558646223011166
Energy: 1.9620748434109747
Energy: 1.791417070574931
Energy: 1.9423464173701548
Energy: 1.8627913568535572
Energy: 2.3672956640066443
Energy: 2.06206197240743
Energy: 2.3768385028112764
Energy: 1.8627913769039228
Energy: 2.358778222332621
Energy: 2.044058772085371
Energy: 2.3274497062503827
Energy: 2.087920277019992
Energy: 2.327632773666104
Energy: 2.0440587720979377
Energy: 2.3272800242189464
Energy: 2.033539148453025
Energy: 2.658288891837027
Energy: 1.7858982687360176
Energy: 2.6582888919423846
Energy: 2.0335391484557857
Energy: 2.6582888916416403
Energy: 2.010748860867913
Energy: 1.9293186814302756
Energy: 1.8362388997906862
Energy: 1.9946176640234599
Energy: 2.010748860867913
Energy: 1.8897798363765006
Energy: 2.011968854459016
Energy: 2.132172234613255
Energy: 2.0899667585629844
Energy: 2.1350046838648837
Energy: 2.0119688545064904
Energy: 2.1362735433156033
Energy: 1.840006035554505
Energy: 2.252451553058948
Energy: 2.080715419494953
Energy: 2.3488281534923448
Energy: 1.840006036179064
Energy: 2.4152975173276117
Energy: 1.8183637357183158
Energy: 2.489245758010726
Energy: 1.7710859492524262
Energy: 2.4892433870266975
Energy: 1.8183637357190139
Energy: 2.4892509691374842
Energy: 2.552640268222639
Energy: 2.098201082137322
Energy: 1.8225221982317878
Energy: 2.1145869780467597
Energy: 2.5526402680635236
Energy: 2.096904689538825
Energy: 2.5373002926950976
Energy: 1.8062338662925956
Energy: 2.0413443092476267
Energy: 1.8590902198915162
Energy: 2.5373002927076644
Energy: 1.7808206984538089
Energy: 1.80036464012015
Energy: 2.0409051550546264
Energy: 1.7841330237993565
Energy: 2.2968342291591717
Energy: 1.8000910554738019
Energy: 1.8736621364895858
Energy: 1.8127155316654961
Energy: 2.3200731412222466
Energy: 2.494798943147083
Energy: 2.3197279179735024
Energy: 1.812715531651533
Energy: 2.3197300721406773
Energy: 2.1245650324468257
Energy: 2.138350402014442
Energy: 2.056559645393822
Energy: 2.3354535210210288
Energy: 2.124565032442637
Energy: 2.3532270176228636
Energy: 1.9775614325285513
Energy: 2.577929688668647
Energy: 1.9091397544963233
Energy: 2.5741245887789757
Energy: 1.9775614325285513
Energy: 2.059446769054646
Energy: 2.068191491928688
Energy: 2.355438617552531
Energy: 1.7562053955570662
Energy: 2.3629328926662017
Energy: 2.06819171752018
Energy: 2.3596952613473365
Energy: 1.9737756657711636
Energy: 2.4793834810623867
Energy: 2.5090456386507487
Energy: 2.4944650335614647
Energy: 1.973775625099631
Energy: 2.4775512461431233
Energy: 2.080399689129159
Energy: 2.5856414694153074
Energy: 2.048935701716207
Energy: 2.5815286194105402
Energy: 2.053739420769227
Energy: 2.5892161642557983
Energy: 1.782148987067354
Energy: 1.8775423034469407
Energy: 2.2355995240442685
Energy: 1.7858535267344016
Energy: 1.782148987067354
Energy: 1.7795160626213717
Energy: 2.650718328198928
Energy: 2.157442429357695
Energy: 1.7637995503717239
Energy: 2.171259144584762
Energy: 2.650718328139617
Energy: 2.1619859370032186
Energy: 2.3987105338043895
Energy: 2.433120189995944
Energy: 2.046513477581994
Energy: 2.5053712418007734
Energy: 2.3987105338043895
Energy: 2.4660152860418227
Energy: 2.4582893885296984
Energy: 2.134537928669589
Energy: 1.7603882618771542
Energy: 2.102715868922429
Energy: 2.463881997980727
Energy: 2.0538528848923883

minimum gb energy = 1.72905178257686 eV
minimum distance =  2.23600156555034 Angstroms
sigma value = 67


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

Energy: 2.1089152428431404
Energy: 2.7685389807830214
Energy: 2.633461508793711
Energy: 2.7685385553919164
Energy: 2.1089152428461246
Energy: 2.7685386580509395
Energy: 2.6320985671734873
Energy: 2.1521753436984894
Energy: 1.8354545354494016
Energy: 2.1521589654385265
Energy: 2.6320985671754773
Energy: 2.1521770241300118
Energy: 1.7709066221070897
Energy: 2.05173970464694
Energy: 2.1153502137402604
Energy: 2.1069301780240717
Energy: 1.7709066180263002
Energy: 2.0563196825043755
Energy: 2.4604218788002137
Energy: 2.580396440846527
Energy: 1.9710908988722151
Energy: 2.579810662516445
Energy: 2.46041817200109
Energy: 2.5798826787217615
Energy: 1.9710210936025478
Energy: 2.4937606520474227
Energy: 2.5422092991478675
Energy: 2.5127775297988735
Energy: 1.9710210936005585
Energy: 2.5483196660810634
Energy: 2.084857331667942
Energy: 2.2783022316260864
Energy: 1.776239375635464
Energy: 2.278480772095725
Energy: 2.0848573316788848
Energy: 2.2782648248629864
Energy: 1.8349468506357862
Energy: 2.3463612354405288
Energy: 1.9241075959578153
Energy: 2.346574110741542
Energy: 1.8349468506039532
Energy: 2.346942949994243
Energy: 2.0665273870852308
Energy: 2.3312073966280304
Energy: 2.403115839411337
Energy: 2.3652164798739297
Energy: 2.0665273870623513
Energy: 2.3564703865118557
Energy: 1.9688211661319215
Energy: 2.2651692922612
Energy: 2.434925938462269
Energy: 2.265169284625636
Energy: 1.9688211661259525
Energy: 2.265169384267792
Energy: 2.013427182804717
Energy: 2.2815423939805917
Energy: 1.8239025473076642
Energy: 2.314271274437607
Energy: 2.013427182804717
Energy: 2.3143872209346483
Energy: 2.009991390041917
Energy: 2.059871490403758
Energy: 1.8991339494718822
Energy: 2.0500439705071187
Energy: 2.009991390041917
Energy: 2.0532977230112857
Energy: 2.018062076694962
Energy: 2.097568203349341
Energy: 1.9965681063819525
Energy: 1.9876110516128491
Energy: 2.0180620766879978
Energy: 2.083713939202639
Energy: 1.8220402405841878
Energy: 2.0570094418428573
Energy: 2.02053507570248
Energy: 2.060588280262415
Energy: 1.8220402407303304
Energy: 2.1150073675087397
Energy: 1.8241092918865172
Energy: 2.0415435461971736
Energy: 1.9952644035222948
Energy: 2.0376974254817686
Energy: 1.8241092919462043
Energy: 2.0449170759801993
Energy: 2.584044019564772
Energy: 2.3792256003607792
Energy: 1.9825483333998044
Energy: 2.3629917652980144
Energy: 2.584044019564772
Energy: 2.2263456373946204
Energy: 2.6059907258649972
Energy: 2.4702886279530767
Energy: 2.0544539531326085
Energy: 2.455883210547534
Energy: 2.6059907258659925
Energy: 2.4713896252683156
Energy: 1.8563763279612608
Energy: 2.17076100871637
Energy: 1.959397861942867
Energy: 2.2466310884228755
Energy: 1.8563763041576804
Energy: 1.9310893960581175
Energy: 1.7740108693976107
Energy: 2.386024044650653
Energy: 2.108912702906363
Energy: 2.389387693778738
Energy: 1.7740108693976107
Energy: 2.3951548850776185
Energy: 2.5397894879368295
Energy: 2.775332953130579
Energy: 1.9706010002173024
Energy: 2.7753329526105324
Energy: 2.5397894879418033
Energy: 2.775332954192512
Energy: 1.9834005383820075
Energy: 2.6068533195913175
Energy: 2.4569336160467774
Energy: 2.606480890407664
Energy: 1.9834005383830025
Energy: 2.592713564185041
Energy: 2.3445993662810354
Energy: 2.152008330798696
Energy: 1.7997382702976241
Energy: 2.1416499871497687
Energy: 2.3445995015246517
Energy: 2.144827918137913
Energy: 1.8298184810220681
Energy: 2.114265497274855
Energy: 2.501909912984111
Energy: 2.081696452011158
Energy: 1.8298184810220681
Energy: 2.03739810375962
Energy: 2.5526262149792873
Energy: 2.610348592072805
Energy: 1.876788804473329
Energy: 2.610352063933433
Energy: 2.552625785896218
Energy: 2.6103451833897613

minimum gb energy = 1.7709066180263002 eV
minimum distance =  2.27863101062204 Angstroms
sigma value = 33


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

Energy: 2.206078498409731
Energy: 2.8897862890125614
Energy: 2.6824806046760483
Energy: 2.8897862890964365
Energy: 2.2060784984059443
Energy: 2.8897862890289687
Energy: 2.503714468960886
Energy: 2.3262999815402785
Energy: 1.7815322949310206
Energy: 2.3262999855205684
Energy: 2.5037123647704327
Energy: 2.3262999822638317
Energy: 1.7821793294416588
Energy: 2.042478822677979
Energy: 2.3990885888587825
Energy: 1.932421697662044
Energy: 1.7821793294454453
Energy: 1.9784188977981882
Energy: 2.0094865134459425
Energy: 2.3227655871122397
Energy: 1.8208828414255256
Energy: 2.3228061194689342
Energy: 2.0094865117737153
Energy: 2.2772246208654625
Energy: 2.1011843243689157
Energy: 2.3836653332828264
Energy: 2.0996723356736626
Energy: 2.3772469905427096
Energy: 2.101184324363236
Energy: 2.3758240700601703
Energy: 2.11583794465349
Energy: 1.8732046607540882
Energy: 1.8012875382902531
Energy: 1.8693020928157091
Energy: 2.115837944686937
Energy: 1.8988528377084575
Energy: 1.7778456044162285
Energy: 1.9081099332603084
Energy: 1.8047512331413256
Energy: 1.9070574886182659
Energy: 1.7778456044742872
Energy: 1.8821387377908327
Energy: 1.828911055406175
Energy: 2.3733146242430734
Energy: 2.0752055680093737
Energy: 2.373313364186588
Energy: 1.8289110587727178
Energy: 2.373316252044558
Energy: 2.047708131951349
Energy: 2.182801039917658
Energy: 2.0851985911200477
Energy: 2.194042656573787
Energy: 2.04770813195198
Energy: 2.2002420590189296
Energy: 1.8051854012392485
Energy: 2.0276844454524077
Energy: 1.7931231671974852
Energy: 2.128665290042517
Energy: 1.8051854012203739
Energy: 2.2359446524542594
Energy: 1.7849455389692264
Energy: 2.42314178397363
Energy: 1.8011305732167506
Energy: 2.423141783261493
Energy: 1.7849455389868962
Energy: 2.4231417848126116
Energy: 1.7705440002518866
Energy: 2.040652334184318
Energy: 2.5501962287097135
Energy: 2.04232744280648
Energy: 1.7705440002518866
Energy: 2.0403160751240463
Energy: 2.1735062229529842
Energy: 2.408920321883649
Energy: 2.186459989654639
Energy: 2.392880725853265
Energy: 2.1735062229517217
Energy: 2.396709714537474
Energy: 1.7961174369924162
Energy: 1.9757812395262262
Energy: 1.8325173940085089
Energy: 1.9608153516517672
Energy: 1.7961174369924162
Energy: 1.932982368446941
Energy: 2.2059775810042557
Energy: 1.9153584565042916
Energy: 1.7731783311881752
Energy: 1.9228997051614496
Energy: 2.1954683044363756
Energy: 1.9525751466440049
Energy: 1.8207742870738592
Energy: 2.250656776205844
Energy: 2.4636092069115554
Energy: 2.250657074768763
Energy: 1.820774287065024
Energy: 2.250656694439372
Energy: 2.5707871141845797
Energy: 2.7159652253159208
Energy: 2.1259489096715556
Energy: 2.6243933219163753
Energy: 2.5707871141845797
Energy: 2.6571294920530155
Energy: 1.7685222376445096
Energy: 1.841438144757285
Energy: 2.3751232011982957
Energy: 1.8139035365793243
Energy: 1.7685222376451406
Energy: 1.8207699759756735
Energy: 2.006557057261875
Energy: 1.9605481775512308
Energy: 1.7774829784614266
Energy: 1.884369578495757
Energy: 2.006557021814527
Energy: 1.9706307314208937
Energy: 2.112754633417839
Energy: 2.3711096353988896
Energy: 1.8539274716338012
Energy: 2.3849116329706197
Energy: 2.112754633415315
Energy: 2.4014559833109277
Energy: 2.4462522983213892
Energy: 2.504992124980827
Energy: 1.7973592908038467
Energy: 2.504780408739652
Energy: 2.4462522983320603
Energy: 2.5009321187942595
Energy: 1.7680025232890697
Energy: 1.9130042502330866
Energy: 2.0700741768522652
Energy: 1.9418319627835667
Energy: 1.7680025232789724
Energy: 1.9264647380264581
Energy: 1.825492530627349
Energy: 2.3037454026489286
Energy: 1.7679736719963786
Energy: 2.3023368198265834
Energy: 1.8254971823688915
Energy: 2.3055572110461044
Energy: 2.1655798873667482
Energy: 2.2136750565566627
Energy: 1.7961016899664817
Energy: 2.2155021445884073
Energy: 2.1655798878865222
Energy: 2.158960747670927
Energy: 2.473068892020505
Energy: 2.0194959768373844
Energy: 1.7995285592025494
Energy: 2.1384323842325963
Energy: 2.473068883131388
Energy: 2.039583567080985
Energy: 1.8162238236350963
Energy: 2.3030026062892257
Energy: 1.7792242807531797
Energy: 2.301399140668554
Energy: 1.8162238236414068
Energy: 2.3349251775514435
Energy: 1.777644495354729
Energy: 1.9483529269981772
Energy: 2.0466560628622803
Energy: 1.9101646416132285
Energy: 1.777644495355991
Energy: 2.005994146005821
Energy: 2.1133420863891685
Energy: 2.1579403611251338
Energy: 1.8017536445231446
Energy: 2.1544293804185575
Energy: 2.113342086393586
Energy: 2.1927473173744816
Energy: 2.0832113482562256
Energy: 2.2711806067122624
Energy: 1.8600342632027311
Energy: 2.264354237361722
Energy: 2.083211348262536
Energy: 2.4156955930249873
Energy: 1.8221975945340823
Energy: 1.8914857515351062
Energy: 1.7699357026185725
Energy: 1.8810194287455675
Energy: 1.8221975944204893
Energy: 1.9238208944772515
Energy: 1.7872108807513236
Energy: 2.3041278623817107
Energy: 2.4404047394986614
Energy: 2.304128387581966
Energy: 1.7872108807235565
Energy: 2.304127168225533
Energy: 2.159919153815979
Energy: 2.818605577382494
Energy: 2.1081146704609917
Energy: 2.818605581927364
Energy: 2.159919153561771
Energy: 2.818605582812989
Energy: 1.8126280309689635
Energy: 2.1522528610351475
Energy: 2.4843276573677313
Energy: 2.112291970744575
Energy: 1.8126280309683325
Energy: 2.2396449172555326
Energy: 2.5484662422310773
Energy: 2.0850581613513013
Energy: 1.769688871689278
Energy: 2.0850581300766047
Energy: 2.548466242233602
Energy: 2.0850580160463736
Energy: 1.7768623367835494
Energy: 2.278565665956787
Energy: 2.327378058209204
Energy: 2.2633688620441688
Energy: 1.7768623367835494
Energy: 2.280836279510242
Energy: 2.167078662625994
Energy: 2.4045703456380845
Energy: 2.1932741965109135
Energy: 2.433560580765604
Energy: 2.161835934228597
Energy: 2.443423162246569
Energy: 1.7793978655566185
Energy: 2.4607624490751943
Energy: 2.4990616199882947
Energy: 2.453257934009688
Energy: 1.7793978655559877
Energy: 2.461190754863057

minimum gb energy = 1.7679736719963786 eV
minimum distance =  2.25528671724045 Angstroms
sigma value = 41


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

Energy: 1.6444882634475906
Energy: 1.7917976653748886
Energy: 2.63727396033601
Energy: 1.681987666031516
Energy: 1.6444882634527596
Energy: 1.7916644604068088
Energy: 2.1937311402409705
Energy: 1.7404975200742447
Energy: 1.574588306947747
Energy: 1.7404975200656296
Energy: 2.1937311402461397
Energy: 1.7404975192406564
Energy: 1.6481706221306476
Energy: 2.0754194542834585
Energy: 1.5752995689994402
Energy: 2.0754171214085315
Energy: 1.6481706221323313
Energy: 2.0754159511252714
Energy: 2.187852983326163
Energy: 1.7625902729742713
Energy: 1.5789188702788763
Energy: 1.762590246248337
Energy: 2.1878535703751747
Energy: 1.7625903046706044
Energy: 1.6503028169320926
Energy: 2.214829668467037
Energy: 1.5748123313867146
Energy: 2.216868578920544
Energy: 1.6503028169286464
Energy: 2.210410619857468
Energy: 1.6495586012679242
Energy: 1.7449821800408547
Energy: 1.5744335809437693
Energy: 1.738579459433552
Energy: 1.649558601593418
Energy: 1.7260935758692204
Energy: 2.368623645262878
Energy: 1.7454103984797622
Energy: 1.5610170856271082
Energy: 1.7453346179186844
Energy: 2.368623645262878
Energy: 1.7362248232387714
Energy: 1.6567385593617439
Energy: 1.6326788768188991
Energy: 1.561725722871536
Energy: 1.6277308640629045
Energy: 1.656738559368636
Energy: 1.59143911714765
Energy: 2.1754558902046472
Energy: 1.743569112567549
Energy: 1.561798293083391
Energy: 1.7363544355101725
Energy: 2.175455890196032
Energy: 1.7477426384049377
Energy: 1.6551779635603923
Energy: 2.2085292874062232
Energy: 1.5748046623334393
Energy: 2.2084303767715308
Energy: 1.6551779635603923
Energy: 2.208760977965458
Energy: 2.1900847911678647
Energy: 1.5887731265985974
Energy: 1.561380275722246
Energy: 1.5805260390402738
Energy: 2.1900847911695873
Energy: 1.5757355322274846
Energy: 1.6523565382190721
Energy: 2.082542057399499
Energy: 2.307538115254322
Energy: 2.0825420574081135
Energy: 1.6523565382173493
Energy: 2.0825420573685234
Energy: 2.1897655295264333
Energy: 1.564953040890969
Energy: 1.560821238010176
Energy: 1.567539131648284
Energy: 2.1897655295264333
Energy: 1.5666457538971903
Energy: 1.651152723816723
Energy: 2.2301037879354233
Energy: 1.581581288967321
Energy: 2.230109475312226
Energy: 1.6511527238287842
Energy: 2.2301034488840137

minimum gb energy = 1.560821238010176 eV
minimum distance =  2.32188222093344 Angstroms
sigma value = 11


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

Energy: 2.397252418028641
Energy: 2.0794982748393713
Energy: 2.5497263018965035
Energy: 1.9618333109303305
Energy: 2.3972524180293977
Energy: 1.9704379139283439
Energy: 2.2498066694659284
Energy: 2.4969356983205047
Energy: 1.9256384585678221
Energy: 2.496935698318991
Energy: 2.2498066400417045
Energy: 2.496935698323533
Energy: 1.9061126362791838
Energy: 2.2378352525135403
Energy: 1.9833201210781863
Energy: 2.2440458122640927
Energy: 1.906112636259504
Energy: 2.2375616773074207
Energy: 1.9822259303691059
Energy: 2.0566484997547367
Energy: 1.9299823236818716
Energy: 2.0548464782124847
Energy: 1.9822259305885088
Energy: 2.064055672260412
Energy: 2.1311471859902094
Energy: 2.272729498474905
Energy: 1.9350714196663228
Energy: 2.272727771109804
Energy: 2.131147185959176
Energy: 2.272736484849391
Energy: 1.9987789174613468
Energy: 2.316562184098575
Energy: 2.123657680202419
Energy: 2.3141966155402907
Energy: 1.9987789174590758
Energy: 2.3213190988750765
Energy: 1.9474883037717563
Energy: 2.425981794828614
Energy: 2.0048186378416717
Energy: 2.4260138701192666
Energy: 1.9474883015035138
Energy: 2.4259821771271812
Energy: 1.9084551458722487
Energy: 2.0893385032760037
Energy: 2.0798329911692943
Energy: 2.089337053988056
Energy: 1.9084551458722487
Energy: 2.0893411906195185
Energy: 2.2198878581607606
Energy: 2.2092171295072873
Energy: 1.9467752911830027
Energy: 2.2092171416216564
Energy: 2.2198878590543023
Energy: 2.2092170969591254
Energy: 1.9274910220293207
Energy: 2.4384585498107
Energy: 2.0588118145816834
Energy: 2.4384343159539292
Energy: 1.9274910220293207
Energy: 2.4385279756861022
Energy: 2.131659625343194
Energy: 2.5590221753680584
Energy: 2.2660149849401923
Energy: 2.5590221587921045
Energy: 2.131659624827974
Energy: 2.5590222034932384
Energy: 1.911225792152472
Energy: 2.3291224922631817
Energy: 2.207844293779446
Energy: 2.3291224879892445
Energy: 1.9112257921532287
Energy: 2.3291224951714673
Energy: 1.9146158935947934
Energy: 2.232425397336292
Energy: 2.1176174064919198
Energy: 2.2280992890210896
Energy: 1.9146158926914465
Energy: 2.2370373871244253
Energy: 1.92570397916643
Energy: 2.2121433683550054
Energy: 1.9249783422281892
Energy: 2.2121433817722367
Energy: 1.92570397916643
Energy: 2.212143360632584
Energy: 1.9420419268942417
Energy: 2.5058402867172336
Energy: 2.1582354891473057
Energy: 2.5058403102113833
Energy: 1.9420419268949987
Energy: 2.5058402867179908
Energy: 2.239692482742713
Energy: 2.532787889575165
Energy: 2.008924007513417
Energy: 2.532787889575922
Energy: 2.2396668154400476
Energy: 2.532787889575165
Energy: 2.0048028856899007
Energy: 2.439677019006617
Energy: 2.1759439537061014
Energy: 2.439677018347651
Energy: 2.0048028857034907
Energy: 2.4396770167663804
Energy: 2.1109094703201827
Energy: 2.5239640321977213
Energy: 1.9318204176991338
Energy: 2.5239640325434953
Energy: 2.1109094703232105
Energy: 2.5239640328007096
Energy: 1.9376808963085963
Energy: 2.2371040836690406
Energy: 1.9220610412884434
Energy: 2.248447943247724
Energy: 1.9376808963078394
Energy: 2.2384594007012457
Energy: 1.9230138167731434
Energy: 2.2399958028399864
Energy: 1.9067997489252184
Energy: 2.2399725701976285
Energy: 1.923013816775414
Energy: 2.239973585778
Energy: 2.2081256562989164
Energy: 2.3159594714592933
Energy: 1.9056554162485748
Energy: 2.315970266609516
Energy: 2.2081256562989164
Energy: 2.31595133091829
Energy: 2.269768081522625
Energy: 2.577806686372796
Energy: 2.1566209457225414
Energy: 2.5778066164048457
Energy: 2.269768040554473
Energy: 2.5778066780436024
Energy: 2.0570503767136556
Energy: 2.4897278812683927
Energy: 1.9263803513795346
Energy: 2.489727881250227
Energy: 2.0570503793109856
Energy: 2.4897278835736896
Energy: 1.922895528086563
Energy: 2.148529189505206
Energy: 2.16364202028027
Energy: 2.15193990432595
Energy: 1.9228955280767233
Energy: 2.1727547654730497
Energy: 2.064969797642366
Energy: 2.102113155930169
Energy: 1.9043834249727984
Energy: 2.102112818738995
Energy: 2.0649697976226866
Energy: 2.1021138460766426
Energy: 1.9976509116232959
Energy: 2.473999913466743
Energy: 1.943005194720543
Energy: 2.4739999134561463
Energy: 1.9976509116074004
Energy: 2.4739999134682567
Energy: 2.1108550591675095
Energy: 2.314387346754109
Energy: 2.1278067124124487
Energy: 2.3200422782777754
Energy: 2.1108550591727733
Energy: 2.313467219374096
Energy: 1.9268918700714184
Energy: 2.2646518765100994
Energy: 1.983041613407735
Energy: 2.2646521243020334
Energy: 1.9268918721822907
Energy: 2.2646521448288577
Energy: 1.9139814490085392
Energy: 2.225413435490829
Energy: 1.9569733021537683
Energy: 2.225413435313779
Energy: 1.913981449184832
Energy: 2.225413435736724
Energy: 1.917843016995122
Energy: 2.2406114864941347
Energy: 1.9079014552819722
Energy: 2.23967339739201
Energy: 1.9178430087952916
Energy: 2.2406444457978107
Energy: 1.9299498318247728
Energy: 2.4357836530085697
Energy: 2.243135102855214
Energy: 2.435788528092703
Energy: 1.9299498318134192
Energy: 2.435777728511207

minimum gb energy = 1.9043834249727984 eV
minimum distance =  2.28528204811865 Angstroms
sigma value = 57


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

Energy: 2.049731862828569
Energy: 2.0823316842554704
Energy: 2.6936755154718375
Energy: 2.079577087069974
Energy: 2.049731862836651
Energy: 2.0802240849230573
Energy: 2.0022269345273425
Energy: 2.3629881770283134
Energy: 1.9858722185178705
Energy: 2.0649887346994364
Energy: 2.0022269217733917
Energy: 2.1829117756476926
Energy: 2.026544103958128
Energy: 2.1314734231832926
Energy: 1.9297826768437751
Energy: 2.1314737441875136
Energy: 2.026545414727003
Energy: 2.1314741121469574
Energy: 1.9827798237538101
Energy: 2.3365176244308534
Energy: 1.9520508956332776
Energy: 2.473684001985993
Energy: 1.9827798237511165
Energy: 2.336517628627415
Energy: 1.9296274927552473
Energy: 2.1315193475708214
Energy: 2.0476854804454474
Energy: 2.1314125975933464
Energy: 1.9296274927552473
Energy: 2.132113985599309
Energy: 1.9661848972118876
Energy: 2.031227859200969
Energy: 2.076875050153228
Energy: 2.031798532417506
Energy: 1.9661848987602013
Energy: 2.0320885099607797
Energy: 2.693675515474531
Energy: 2.079075569541297
Energy: 2.0497318628811003
Energy: 2.079496013707137
Energy: 2.69367551547049
Energy: 2.0777691032556405
Energy: 1.985872218539422
Energy: 2.362987835787125
Energy: 2.0022271735646076
Energy: 2.3629878455279587
Energy: 1.9858722185340338
Energy: 2.3629877951731992
Energy: 1.9297826768464694
Energy: 2.131483071714844
Energy: 2.026483478419274
Energy: 2.1314842593305996
Energy: 1.929782676845122
Energy: 2.131484013122687
Energy: 1.9520508952455409
Energy: 2.336517633712563
Energy: 1.9827798237538101
Energy: 2.3365176408266697
Energy: 1.9520508952455409
Energy: 2.319071925095042
Energy: 2.047685505698899
Energy: 2.1320297248599216
Energy: 1.9296274927539
Energy: 2.129017807550503
Energy: 2.0476854933959605
Energy: 2.1314468341799544
Energy: 2.076875050151881
Energy: 2.036558092221728
Energy: 1.9661849066282604
Energy: 2.0319071564486646
Energy: 2.0768750501505338
Energy: 2.0314483884829353
Energy: 2.0497318632311523
Energy: 2.082333042042814
Energy: 2.406079224233042
Energy: 2.0801783076172566
Energy: 2.0497318632405506
Energy: 2.0799147727630136
Energy: 2.002227526224159
Energy: 2.1829121166411354
Energy: 1.9858722186121265
Energy: 2.1829102151354176
Energy: 2.0022275300181676
Energy: 2.1829139936137114
Energy: 2.0264477813553654
Energy: 2.131494575978989
Energy: 1.929782676845122
Energy: 2.1314940772097755
Energy: 2.0264496770987277
Energy: 2.1314951337168924
Energy: 1.9827798237282184
Energy: 2.336517645431172
Energy: 1.952050895125724
Energy: 2.3365176452009666
Energy: 1.982779823729565
Energy: 2.3365176502591756
Energy: 1.9296274927539
Energy: 2.13222810787508
Energy: 2.0476857676388582
Energy: 2.130883948153481
Energy: 1.9296274927539
Energy: 2.1307226898542564

minimum gb energy = 1.9296274927539 eV
minimum distance =  2.35643892439232 Angstroms
sigma value = 9


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

Energy: 2.758329265736204
Energy: 2.3990739845536626
Energy: 2.196950661213105
Energy: 2.5885963261052094
Energy: 2.7583292657274057
Energy: 2.4122310923598422
Energy: 2.0741286117302487
Energy: 2.5304227019510592
Energy: 2.104022227916077
Energy: 2.530422701635573
Energy: 2.0741282210311516
Energy: 2.5304227024215638
Energy: 2.0296204880408024
Energy: 2.253850898718276
Energy: 2.084650776242915
Energy: 2.2538539933131068
Energy: 2.0296204880419024
Energy: 2.253857189276622
Energy: 2.1010350770151303
Energy: 2.1893361785193024
Energy: 2.116059592326671
Energy: 2.1903615876995945
Energy: 2.1010350770151303
Energy: 2.186352425491161
Energy: 1.960350968292802
Energy: 2.302149486974293
Energy: 1.9966744983842593
Energy: 2.3021495542320154
Energy: 1.9603509682686069
Energy: 2.3021495146972053
Energy: 2.1068127176287033
Energy: 2.21821103895714
Energy: 1.9934260450442556
Energy: 2.2182110398189647
Energy: 2.106812717632003
Energy: 2.2182110384844362
Energy: 2.0459176351038892
Energy: 2.4544809190924735
Energy: 2.1265414176683053
Energy: 2.454480917963503
Energy: 2.0459176345564503
Energy: 2.454480918529638
Energy: 2.0540132629810923
Energy: 2.584030283169986
Energy: 2.0817662731015103
Energy: 2.584031721228991
Energy: 2.054013261149665
Energy: 2.5927515378587516
Energy: 2.211844735797112
Energy: 2.29235794541771
Energy: 2.038905160300468
Energy: 2.292345919531557
Energy: 2.2118447368810417
Energy: 2.292372516921933
Energy: 1.987702729333862
Energy: 2.5869273063068112
Energy: 2.152416914997133
Energy: 2.5869273064563307
Energy: 1.9877027293481595
Energy: 2.586927306359601
Energy: 2.046423665497307
Energy: 2.4423655035078493
Energy: 2.095180089679669
Energy: 2.4423655035078493
Energy: 2.046423665509354
Energy: 2.442365503499101
Energy: 2.0536262555401894
Energy: 2.2031422212632785
Energy: 2.13006094805639
Energy: 2.199735686185647
Energy: 2.0536262565801278
Energy: 2.2211494650137227
Energy: 2.04891582196805
Energy: 2.212464831471442
Energy: 2.0985317234768344
Energy: 2.2187643659781644
Energy: 2.04891582197135
Energy: 2.2087052414350445
Energy: 2.0579732084021543
Energy: 2.2119142040260784
Energy: 2.0465193924218767
Energy: 2.218666083109824
Energy: 2.057973208401055
Energy: 2.2119406862308795
Energy: 2.2437182447987194
Energy: 2.369293141955177
Energy: 2.155491926911121
Energy: 2.3590770357968056
Energy: 2.2437182448009185
Energy: 2.3917105669177516
Energy: 2.195966625856888
Energy: 2.43916744937256
Energy: 2.070522081242997
Energy: 2.439164608676947
Energy: 2.3153841010997542
Energy: 2.4391872501528025
Energy: 2.1785807846521568
Energy: 2.5457333511867994
Energy: 2.0241057056585983
Energy: 2.545733351059275
Energy: 2.1809451171829135
Energy: 2.5457333510625744
Energy: 2.1980889910905734
Energy: 2.3322660750398714
Energy: 2.1361100017422605
Energy: 2.3322648729991697
Energy: 2.1980889872606517
Energy: 2.3322674665154493
Energy: 2.084151836777929
Energy: 2.235932686260683
Energy: 1.9675057385978079
Energy: 2.2359326861903477
Energy: 2.084151836777929
Energy: 2.2359326865596723
Energy: 2.041839323180515
Energy: 2.322719329723763
Energy: 1.9943811815912655
Energy: 2.3227187602210777
Energy: 2.041839323180515
Energy: 2.322719703944511
Energy: 2.103233993248272
Energy: 2.2083014131918386
Energy: 2.0307883757781524
Energy: 2.2318387098977466
Energy: 2.103233993269168
Energy: 2.2209694776559448

minimum gb energy = 1.9603509682686069 eV
minimum distance =  2.37712767097371 Angstroms
sigma value = 27


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

Energy: 2.266059980854426
Energy: 2.1631050399208673
Energy: 2.128436917622118
Energy: 2.1547235177756585
Energy: 2.2660599808553528
Energy: 2.212246022867739
Energy: 1.9861587104234981
Energy: 2.713228622621025
Energy: 2.005233039299348
Energy: 2.7132286225710076
Energy: 1.986158710455902
Energy: 2.7132286221206807
Energy: 1.9896032402199264
Energy: 2.1326088925187285
Energy: 2.011255288654142
Energy: 2.1771717355390385
Energy: 1.9896032311362826
Energy: 2.2141899246945775
Energy: 1.9810974078995998
Energy: 2.1673334852147232
Energy: 2.016293640060094
Energy: 2.167339312867822
Energy: 1.9810974078986727
Energy: 2.167332684701339
Energy: 1.9876848323303562
Energy: 2.297579456475106
Energy: 2.015513227095617
Energy: 2.297612967329964
Energy: 1.9876848323201588
Energy: 2.2975598286734438
Energy: 1.985842578740223
Energy: 2.240078369443601
Energy: 2.0109409566640104
Energy: 2.2400783756927622
Energy: 1.9858425785502658
Energy: 2.240078370207138
Energy: 2.008509361111324
Energy: 2.1833501568867577
Energy: 2.0205273097083922
Energy: 2.175758669975576
Energy: 2.0085093589346963
Energy: 2.173233750907286
Energy: 1.992746162985487
Energy: 2.2095515717783947
Energy: 2.0083361746877433
Energy: 2.2095516146401146
Energy: 1.992746162982706
Energy: 2.209551623281775
Energy: 2.160732445442068
Energy: 2.1699612249163542
Energy: 2.1190616106061277
Energy: 2.1699612231354
Energy: 2.160732445443922
Energy: 2.1699612259217615
Energy: 1.9891310702674205
Energy: 2.4465108753185087
Energy: 2.1298408352853033
Energy: 2.4465108685411923
Energy: 1.9891310702683476
Energy: 2.446510884130659
Energy: 1.986456263121378
Energy: 2.450385981211643
Energy: 2.1335105298685617
Energy: 2.4503859971171003
Energy: 1.9864562630639018
Energy: 2.4503859836570254
Energy: 2.1595232396450506
Energy: 2.201487837300265
Energy: 2.1197938681095176
Energy: 2.20148783699169
Energy: 2.1595232396469046
Energy: 2.20148783772
Energy: 1.9824937446667175
Energy: 2.157372428822313
Energy: 2.0079343797944444
Energy: 2.1792771456945106
Energy: 1.9824937446676445
Energy: 2.155660081130658
Energy: 2.0041399802128335
Energy: 2.2521165734586233
Energy: 2.005877294194765
Energy: 2.252116573426219
Energy: 2.0041399800024813
Energy: 2.252116573481799
Energy: 1.9913439721244808
Energy: 2.233907204872939
Energy: 2.0099932593535774
Energy: 2.2339072046617017
Energy: 1.991343972128147
Energy: 2.233907204915582
Energy: 1.989207957889593
Energy: 2.2889019761390585
Energy: 2.0179476603814783
Energy: 2.289171885072107
Energy: 1.9892079578951551
Energy: 2.2932322232319544
Energy: 1.9785257082445535
Energy: 2.1544833621245183
Energy: 2.088550656141274
Energy: 2.1544833471559106
Energy: 1.9785257082454806
Energy: 2.1544833753158805
Energy: 1.9939013820587532
Energy: 2.147477832127403
Energy: 2.012598180497405
Energy: 2.1540969062488413
Energy: 1.9939013820550449
Energy: 2.1638939713831933
Energy: 1.9859901709011718
Energy: 2.405151506799893
Energy: 2.008838412491438
Energy: 2.407948568248843
Energy: 1.98599017090488
Energy: 2.3949310793588126
Energy: 2.266059980854426
Energy: 2.0963688622399967
Energy: 2.1865035948606653
Energy: 2.1197925639844546
Energy: 2.266059980854426
Energy: 2.19129181065835
Energy: 1.9861587105847172
Energy: 2.7132286227275917
Energy: 2.0052330393299393
Energy: 2.713228622645128
Energy: 1.9861587105810092
Energy: 2.713228622737789
Energy: 1.989603234230292
Energy: 2.217462194891791
Energy: 2.011255288624477
Energy: 2.200533220984515
Energy: 1.9896032015956673
Energy: 2.2174775865599945
Energy: 1.981097407762483
Energy: 2.1673800878357574
Energy: 2.022518252683806
Energy: 2.167383121171259
Energy: 1.9810974077661494
Energy: 2.1673754500533744
Energy: 1.9876848324925027
Energy: 2.2977398189247125
Energy: 2.015513218179681
Energy: 2.297548063062432
Energy: 1.9876848324832324
Energy: 2.297815172419298
Energy: 1.985842569777978
Energy: 2.240078374309294
Energy: 2.0109409566640104
Energy: 2.240078374156418
Energy: 1.9858425691080293
Energy: 2.2400783717629493

minimum gb energy = 1.9785257082445535 eV
minimum distance =  2.38522295355792 Angstroms
sigma value = 19


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

Energy: 2.436647486216596
Energy: 2.2186009828541358
Energy: 2.3767079348616824
Energy: 2.216803615554348
Energy: 2.436647486216596
Energy: 2.2650036667516624
Energy: 1.9518714374952393
Energy: 2.34225901804257
Energy: 1.9379488116896246
Energy: 2.319104270231413
Energy: 1.9518714374608308
Energy: 2.3439256282356418
Energy: 1.9593624764086852
Energy: 2.1889827780256303
Energy: 2.0512776845911644
Energy: 2.1896141909847624
Energy: 1.9593624758535975
Energy: 2.184315811304198
Energy: 2.0205353710371274
Energy: 2.2470229389113436
Energy: 1.9422535470362636
Energy: 2.247022914665501
Energy: 2.0205353709435396
Energy: 2.247022972055501
Energy: 1.940009132856086
Energy: 2.1748725047040365
Energy: 1.9387655253953313
Energy: 2.1743232706132254
Energy: 1.9400091328800557
Energy: 2.169108176272028
Energy: 1.9654471244170224
Energy: 2.0321527085324425
Energy: 1.9523800531387963
Energy: 2.0534972989558016
Energy: 1.9654470700392486
Energy: 2.067989437544585
Energy: 1.9836192005598643
Energy: 2.13990331582362
Energy: 1.9392830129875906
Energy: 2.1644416858284377
Energy: 1.9836192006118412
Energy: 2.166077337375537
Energy: 1.9383741122359424
Energy: 2.153029596000584
Energy: 1.9578332276241717
Energy: 2.1530295971259994
Energy: 1.9383741122359424
Energy: 2.153029599975856
Energy: 1.9837921150678763
Energy: 2.2646823242103897
Energy: 2.0670887691206032
Energy: 2.2646823242015874
Energy: 1.9837921150710773
Energy: 2.264682324207189
Energy: 1.9408362373944181
Energy: 2.375381876914389
Energy: 1.943988889489703
Energy: 2.3754492314853026
Energy: 1.9408362373952186
Energy: 2.375334984774829
Energy: 1.9405768214047332
Energy: 2.277226573323496
Energy: 1.97188633258128
Energy: 2.2773180305938703
Energy: 1.9405768213903296
Energy: 2.2772268339592667
Energy: 2.2827108686769866
Energy: 2.5372544673126862
Energy: 1.9604746319885518
Energy: 2.5032531031520118
Energy: 2.2827108686825883
Energy: 2.466834989935919
Energy: 2.113108798490546
Energy: 2.5539521829612766
Energy: 1.9812860515582622
Energy: 2.5539524252789034
Energy: 2.113108798490546
Energy: 2.5539530799461545
Energy: 2.0201824903052423
Energy: 2.257544252872695
Energy: 2.1154785073494518
Energy: 2.2575387868879786
Energy: 2.020182490357256
Energy: 2.2575536285476843
Energy: 1.9301262227379372
Energy: 2.2829288832620183
Energy: 1.9305143914601424
Energy: 2.299547646149108
Energy: 1.9301262226787586
Energy: 2.299388815149825
Energy: 1.9247418385462205
Energy: 2.190012965880351
Energy: 1.968042259690273
Energy: 2.190036767602842
Energy: 1.9247418385406188
Energy: 2.1988053884301477
Energy: 1.9590740186052882
Energy: 2.078519220835651
Energy: 1.970171985251696
Energy: 2.0766513944672593
Energy: 1.9591041413780617
Energy: 2.0783751656788634
Energy: 1.9249233995279467
Energy: 2.2797508757015423
Energy: 1.9288921977122973
Energy: 2.2797508757015423
Energy: 1.9249233995439508
Energy: 2.2797508757015423
Energy: 1.9723085428827554
Energy: 2.0596544163986548
Energy: 1.9885166659874376
Energy: 2.0578079614154494
Energy: 1.9723094778676877
Energy: 2.043967905634136
Energy: 1.9250300148081683
Energy: 2.076229549714155
Energy: 1.9422966684663998
Energy: 2.1252934916493347
Energy: 1.925030014800166
Energy: 2.1008083232229517
Energy: 1.9293762822430944
Energy: 2.306043603650481
Energy: 1.9333206728804964
Energy: 2.3060442796881477
Energy: 1.9293762823750555
Energy: 2.3086364903172725
Energy: 1.9788219041867332
Energy: 2.2541246928592544
Energy: 2.12421288285137
Energy: 2.25412468918475
Energy: 1.9788217058920474
Energy: 2.2541246946981257
Energy: 2.021414715463398
Energy: 2.5669894299449867
Energy: 1.9518910013307933
Energy: 2.566989549978403
Energy: 2.01453089449443
Energy: 2.5669892892810524
Energy: 2.157051128910739
Energy: 2.48481063011658
Energy: 1.96125991865057
Energy: 2.469728894914878
Energy: 2.1570511291347234
Energy: 2.48090162344803
Energy: 1.9356894817702326
Energy: 2.3145888451115804
Energy: 1.9467533606090643
Energy: 2.314588845113981
Energy: 1.9356894817702326
Energy: 2.3145888451115804
Energy: 1.9339876491891244
Energy: 2.354695860805543
Energy: 1.9353136453381263
Energy: 2.342568713023854
Energy: 1.9339876491643542
Energy: 2.3468735527714353
Energy: 2.029064733865773
Energy: 2.256167738109666
Energy: 2.148761144985921
Energy: 2.2561675897367772
Energy: 2.029064733861772
Energy: 2.2561677809712193
Energy: 1.9312436475758004
Energy: 2.153059616745386
Energy: 1.9515393064558761
Energy: 2.1530618531863674
Energy: 1.9312436475725996
Energy: 2.1530583186599457
Energy: 1.9765264925167112
Energy: 2.1570391104710875
Energy: 1.9398258897101317
Energy: 2.183428902785638
Energy: 1.976526492523913
Energy: 2.1725954826613285

minimum gb energy = 1.9247418385406188 eV
minimum distance =  2.30476808367204 Angstroms
sigma value = 101


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

Energy: 2.606801775731023
Energy: 2.3922661452090095
Energy: 2.3364950776847517
Energy: 2.392266057652489
Energy: 2.6068017757282087
Energy: 2.3922662960008485
Energy: 1.9178686265964846
Energy: 2.3489746631999973
Energy: 1.9218152025243336
Energy: 2.359541716088811
Energy: 1.9178685984237096
Energy: 2.3338589520261035
Energy: 1.8992374477547134
Energy: 2.227127320334501
Energy: 1.9282947329830977
Energy: 2.2239215233110103
Energy: 1.8992374477554168
Energy: 2.213591727235303
Energy: 1.855405274513478
Energy: 2.235658686317056
Energy: 1.9214393364124267
Energy: 2.358835522110448
Energy: 1.8597369403860735
Energy: 2.235938688763009
Energy: 1.8656819103770088
Energy: 2.2192764825040436
Energy: 1.9019019092790497
Energy: 2.219277696807121
Energy: 1.8656819103770088
Energy: 2.2192761526196008
Energy: 1.8781942707751256
Energy: 2.1902148280332603
Energy: 1.966224920066278
Energy: 2.190214828096536
Energy: 1.878194596560456
Energy: 2.1902148279980893
Energy: 1.8939333597798331
Energy: 2.246197814157973
Energy: 1.8550901881313275
Energy: 2.2461939658514853
Energy: 1.893933359769282
Energy: 2.2462015273912628
Energy: 1.8775241854450273
Energy: 2.204783995369169
Energy: 1.8674232176877423
Energy: 2.1106112660652308
Energy: 1.8775241854042286
Energy: 2.2181414441370055
Energy: 1.8519666414629696
Energy: 2.217811348669132
Energy: 1.867896784537423
Energy: 2.2165973477469083
Energy: 1.851966642683562
Energy: 2.1938340967346015
Energy: 1.8872664190009165
Energy: 2.2906049449287154
Energy: 1.8547001796211449
Energy: 2.2906049447993504
Energy: 1.8872664189931792
Energy: 2.290604945119246
Energy: 1.968672923947901
Energy: 2.1316500329119514
Energy: 2.150481194848509
Energy: 2.1400019691129133
Energy: 1.968672925811131
Energy: 2.13163709740783
Energy: 1.933706379250371
Energy: 2.03509361254116
Energy: 1.875123022560548
Energy: 2.171294083067101
Energy: 1.9337063358215498
Energy: 2.041048564247802
Energy: 1.9304677440883238
Energy: 2.242191815013056
Energy: 1.9381274941396147
Energy: 2.2538202829139666
Energy: 1.9304659532817678
Energy: 2.219765943677501
Energy: 1.930449768939199
Energy: 2.383148475535165
Energy: 2.0255051629647083
Energy: 2.004827950715004
Energy: 1.930349537326672
Energy: 1.9614158454027548
Energy: 1.8705758039060696
Energy: 2.763487970531214
Energy: 1.9298111987023485
Energy: 2.7635011630568247
Energy: 1.8705756166018763
Energy: 2.7634904675623537
Energy: 2.1324521117287434
Energy: 2.2143586689528076
Energy: 1.8732088492173868
Energy: 2.23558768019198
Energy: 2.132452111723116
Energy: 2.2974891332305742
Energy: 1.856122922548395
Energy: 2.3698310675403764
Energy: 1.863399679802174
Energy: 2.3698306987832556
Energy: 1.8561229222910716
Energy: 2.369832843338394
Energy: 1.8770529646497123
Energy: 2.180371083530459
Energy: 1.8638695339501268
Energy: 2.166923977626868
Energy: 1.8770536847937174
Energy: 2.180702469984186
Energy: 1.9697166220754945
Energy: 2.1616537154903823
Energy: 1.8893588962196692
Energy: 2.1616537230846253
Energy: 1.969716622061426
Energy: 2.1616537090246157
Energy: 1.857006642836883
Energy: 2.283801218596251
Energy: 1.8707838020864471
Energy: 2.282252199948854
Energy: 1.857006642836883
Energy: 2.2809678355111975
Energy: 1.9909359836618605
Energy: 2.0603325109781903
Energy: 1.8663797131132638
Energy: 1.9836627809754244
Energy: 1.9909359836618605
Energy: 2.0600308541073584
Energy: 1.9084937671768467
Energy: 2.185199901983194
Energy: 1.8666871701414425
Energy: 2.1650606811964326
Energy: 1.9084937809971176
Energy: 2.1852010566859996
Energy: 1.8826398672062967
Energy: 2.2048437314566933
Energy: 1.8552706062956827
Energy: 2.20484373285167
Energy: 1.8826398671873046
Energy: 2.204843729987922
Energy: 1.8880275523253454
Energy: 2.3120616971481813
Energy: 2.0261068642364677
Energy: 2.3120616980552087
Energy: 1.8880276553403685
Energy: 2.3120616974013166
Energy: 1.876370336174281
Energy: 2.4975624898703237
Energy: 1.8762631164858845
Energy: 2.4975618061297067
Energy: 1.8763703361735773
Energy: 2.497561747695161
Energy: 1.9017441972950115
Energy: 2.34447567860796
Energy: 1.9220602990059539
Energy: 2.3444756779111597
Energy: 1.9017441968921445
Energy: 2.3444756795768247
Energy: 1.9617332504544538
Energy: 2.546419098091017
Energy: 1.8578764394718619
Energy: 2.5925489760857316
Energy: 1.9617325588973775
Energy: 2.535395283875096
Energy: 1.9483218414479953
Energy: 2.648632572986606
Energy: 1.8529531137375828
Energy: 2.6486352865718725
Energy: 1.948312593828776
Energy: 2.648638202843227
Energy: 2.115504664935185
Energy: 2.3370001888516194
Energy: 2.203698669781084
Energy: 2.337000348350031
Energy: 2.115505344122505
Energy: 2.3370002109101775
Energy: 1.8907670330202595
Energy: 2.2171628960715157
Energy: 1.8535807610750814
Energy: 2.2252583405206874
Energy: 1.8907670330188526
Energy: 2.234537396233737
Energy: 1.8675073594715497
Energy: 2.0550981289017445
Energy: 1.9469276819847892
Energy: 2.0659788322341
Energy: 1.8675067081364054
Energy: 1.9814221254671813
Energy: 1.9183345451467135
Energy: 2.135786576106016
Energy: 1.9075810827154607
Energy: 2.137027406498634
Energy: 1.9183345451467135
Energy: 2.137809651838109
Energy: 1.8744359311480325
Energy: 2.280097514712795
Energy: 1.8800081902602195
Energy: 2.2800973367064623
Energy: 1.8744359311480325
Energy: 2.2800975676082333

minimum gb energy = 1.8519666414629696 eV
minimum distance =  2.38316486730647 Angstroms
sigma value = 33


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

Energy: 0.019834846441359646
Energy: 0.020355039009475905
Energy: 2.8006447952180715
Energy: 0.020355039020905116
Energy: 0.019834846441359646
Energy: 0.02035503900775503
Energy: 0.020793598429480746
Energy: 1.4145988373330205
Energy: 0.0207935984288963
Energy: 1.4145988373330205
Energy: 0.020793598429480746
Energy: 1.4145988373330205
Energy: 2.1436769883280813
Energy: 0.020355039021457095
Energy: 0.019834846441359646
Energy: 0.020355039021457095
Energy: 2.1436769885177345
Energy: 0.020355039025483294
Energy: 0.020793598429480746
Energy: 1.4145988373330205
Energy: 0.0207935984288963
Energy: 1.4145988373330205
Energy: 0.020793598429480746
Energy: 1.4145988373330205

minimum gb energy = 0.019834846441359646 eV
minimum distance =  2.69171311329257 Angstroms
sigma value = 1