Model name: model_name=MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5213917568326
cohesive_energy=4.450350014971251
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.018143399514677618
Energy: 0.018492946584746563
Energy: 1.3831708558637286
Energy: 0.018492946584746563
Energy: 0.018492946584746563
Energy: 1.2239535105545456
Energy: 0.018492946584746563
Energy: 1.2239535105545456
Energy: 1.3831708558637286
Energy: 0.018492946585407566
Energy: 0.018143399514677618
Energy: 0.018492946584746563
Energy: 0.018492946584746563
Energy: 1.2239535105545456
Energy: 0.018492946584746563
Energy: 1.2239535105538846

minimum gb energy = 0.018143399514677618 eV
minimum distance =  2.41252083636426 Angstroms
sigma value = 1


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

Energy: 1.3374347636621746
Energy: 1.3529513004877836
Energy: 1.32589151231278
Energy: 1.3529513004885854
Energy: 1.3036618930643868
Energy: 1.348890920749222
Energy: 1.3051742048449697
Energy: 1.3488909207500237
Energy: 1.2302272874456661
Energy: 1.3355132789624098
Energy: 1.2775754077266626
Energy: 1.3355132789616082
Energy: 1.281867113942121
Energy: 1.346069872034282
Energy: 1.261769356125712
Energy: 1.346069872034282
Energy: 1.265848250662425
Energy: 1.3590326290505441
Energy: 1.301547440018287
Energy: 1.3590326290497425
Energy: 1.2457766895837474
Energy: 1.5195703939852094
Energy: 1.2238206022503595
Energy: 1.5195703939852094
Energy: 1.308205230954732
Energy: 1.334920260327121
Energy: 1.247317902545107
Energy: 1.334920260327121
Energy: 1.1849664888884548
Energy: 1.362298260554206
Energy: 1.2186046405777744
Energy: 1.362298260554206
Energy: 1.262154300352532
Energy: 1.5478152105668928
Energy: 1.3028295741518279
Energy: 1.5478152105668928
Energy: 1.2310673726522776
Energy: 1.3339354855683587
Energy: 1.1729548011372208
Energy: 1.3339354855683587
Energy: 1.317968775799863
Energy: 1.3422933901069962
Energy: 1.2621798647015867
Energy: 1.3422933901061944
Energy: 1.2961129139699044
Energy: 1.3621141655309565
Energy: 1.2508713764418675
Energy: 1.3621141655301545
Energy: 1.3020853018109166
Energy: 1.3290545284385082
Energy: 1.3313411487986693
Energy: 1.3290545284393098
Energy: 1.284115532873587
Energy: 1.3444676280405754
Energy: 1.2529882751871964
Energy: 1.3444676280397736
Energy: 1.28337854177175
Energy: 1.353055525059138
Energy: 1.2776816551274877
Energy: 1.353055525059138
Energy: 1.283468343944456
Energy: 1.3534068165219681
Energy: 1.3037720283439842
Energy: 1.3534068165219681
Energy: 1.27753021792737
Energy: 1.3355234135093925
Energy: 1.2257449125427688
Energy: 1.335523413510194
Energy: 1.3055361165437265
Energy: 1.3281624253875823
Energy: 1.3277386340068726
Energy: 1.3281624253875823
Energy: 1.1895070282141078
Energy: 1.3585518635659823
Energy: 1.2484573658159908
Energy: 1.3585518635659823
Energy: 1.3278875595963644
Energy: 1.737769476096154
Energy: 1.2651492729807279
Energy: 1.737769476096154
Energy: 1.2222790587361392
Energy: 1.335073496332092
Energy: 1.1712984037843204
Energy: 1.335073496332092
Energy: 1.2615731802565968
Energy: 1.505385709776703
Energy: 1.3865728843122376
Energy: 1.505385709776703
Energy: 1.3619939897533642
Energy: 1.359249532870221
Energy: 1.2249855546249127
Energy: 1.359249532870221
Energy: 1.3155338271633148
Energy: 1.334789194693117
Energy: 1.2451678283857461
Energy: 1.3347891946939185
Energy: 1.247263986659208
Energy: 1.517504066628975
Energy: 1.3835743478921065
Energy: 1.517504066628975
Energy: 1.2688803340510177
Energy: 1.3595104677823346
Energy: 1.242463079139073
Energy: 1.3595104677823346
Energy: 1.281072468286354
Energy: 1.5027741935808214
Energy: 1.2620202709719643
Energy: 1.5027741935800198
Energy: 1.2337347584929461
Energy: 1.3311949634194786
Energy: 1.2797520158644058
Energy: 1.3311949634194786
Energy: 1.3025056075121677
Energy: 1.3392568405603507
Energy: 1.2980223753879792
Energy: 1.3392568405603507
Energy: 1.3118025390013393
Energy: 1.3546346079050466
Energy: 1.2971397057562988
Energy: 1.354634607904245
Energy: 1.3080122663422258
Energy: 1.3444254614115756
Energy: 1.3020738009960255
Energy: 1.3444254614123772
Energy: 1.273667375788232
Energy: 1.331065423116495
Energy: 1.284984058569968
Energy: 1.3310654231180983
Energy: 1.2664467943875415
Energy: 1.3758954107543235
Energy: 1.2644162954501101
Energy: 1.3758954107543235

minimum gb energy = 1.1712984037843204 eV
minimum distance =  2.22977224791006 Angstroms
sigma value = 1


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

Energy: 1.5579058042806928
Energy: 1.444336814310101
Energy: 1.4386600374413387
Energy: 1.4443368143110151
Energy: 1.3343061582030433
Energy: 1.413554050459825
Energy: 1.3495620733462643
Energy: 1.413554050459825
Energy: 1.2859670107733554
Energy: 1.447732183885813
Energy: 1.324272898992882
Energy: 1.447732183885813
Energy: 1.2917472371961336
Energy: 1.3312489327759662
Energy: 1.2890941131721716
Energy: 1.3312489327759662
Energy: 1.291684146393403
Energy: 1.4114291305830637
Energy: 1.395951257135522
Energy: 1.4114291305821496
Energy: 1.3779332292793391
Energy: 1.4112488476994334
Energy: 1.3214322414969413
Energy: 1.4112488476985192
Energy: 1.39324936138822
Energy: 1.5231653013459037
Energy: 1.3184424093648295
Energy: 1.5231653013449895
Energy: 1.2129984364157531
Energy: 1.4477319153040615
Energy: 1.2490564768689583
Energy: 1.4477319153040615
Energy: 1.2911268262465063
Energy: 1.8588339869779444
Energy: 1.3748876109334092
Energy: 1.8588339869806862
Energy: 1.2975458239887885
Energy: 1.44787946700665
Energy: 1.3251163725647823
Energy: 1.4478794670057358
Energy: 1.3350643724908067
Energy: 1.3872389358290125
Energy: 1.358408157549474
Energy: 1.3872389358280985
Energy: 1.252730239389945
Energy: 1.4258373360557977
Energy: 1.332228300541272
Energy: 1.4258373360557977
Energy: 1.3486277683383998
Energy: 1.406255182146155
Energy: 1.3221196394091785
Energy: 1.406255182146155
Energy: 1.3485832686308314
Energy: 1.4062616413819407
Energy: 1.341390664664067
Energy: 1.4062616413819407
Energy: 1.2525808025534482
Energy: 1.4259614987124345
Energy: 1.3304033204573096
Energy: 1.4259614987124345
Energy: 1.334846057775554
Energy: 1.3872582660379666
Energy: 1.318423343666537
Energy: 1.3872582660379666
Energy: 1.2975528147474313
Energy: 1.4478492663372822
Energy: 1.323945555457765
Energy: 1.447849266338196
Energy: 1.2911518768817014
Energy: 1.858839496238188
Energy: 1.3747304313030835
Energy: 1.8588394962354458
Energy: 1.2130272595671971
Energy: 1.447650747968492
Energy: 1.2631767829189704
Energy: 1.44765074797032
Energy: 1.39263349436252
Energy: 1.5230416111846439
Energy: 1.2825221149792132
Energy: 1.523041611185558
Energy: 1.3780683961500648
Energy: 1.4112723219956391
Energy: 1.3001558948659038
Energy: 1.411272321993811
Energy: 1.2916914327898765
Energy: 1.411272422951132
Energy: 1.3530156050849438
Energy: 1.411272422951132
Energy: 1.291421810595486
Energy: 1.3313694178693285
Energy: 1.3187860647190965
Energy: 1.3313694178702427
Energy: 1.2860086874787984
Energy: 1.44774836275256
Energy: 1.3221213531860077
Energy: 1.44774836275256
Energy: 1.3343923608014785
Energy: 1.41328388250739
Energy: 1.3493881740348033
Energy: 1.4132838825055618
Energy: 1.5579058042806928
Energy: 1.444336814310101
Energy: 1.43862531537984
Energy: 1.4443368143110151
Energy: 1.3343061582030433
Energy: 1.413554050459825
Energy: 1.3495620733462643
Energy: 1.413554050458911
Energy: 1.2859670107733554
Energy: 1.447732183885813
Energy: 1.3249079670641195
Energy: 1.447732183885813
Energy: 1.2917472371970475
Energy: 1.331248932775052
Energy: 1.280846229021286
Energy: 1.3312489327759662

minimum gb energy = 1.2129984364157531 eV
minimum distance =  2.19533904708239 Angstroms
sigma value = 25


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

Energy: 1.427247122269352
Energy: 1.4937271229085844
Energy: 1.4108700874707056
Energy: 1.4937271229085844
Energy: 1.4148115552776936
Energy: 1.445520031002427
Energy: 1.3594331956582024
Energy: 1.445520031002427
Energy: 1.3447846444108564
Energy: 1.5568263591359732
Energy: 1.3591824941376396
Energy: 1.5568263591359732
Energy: 1.3444818506038936
Energy: 1.40104551269906
Energy: 1.3273493097233071
Energy: 1.40104551269906
Energy: 1.3286910730257853
Energy: 1.5001021397354635
Energy: 1.4596538042899156
Energy: 1.5001021397354635
Energy: 1.4532513432691643
Energy: 1.5564686475833303
Energy: 1.5041554668880197
Energy: 1.5564686475833303
Energy: 1.4144379232645128
Energy: 1.619659562145299
Energy: 1.3796674685319923
Energy: 1.619659562145299
Energy: 1.521793738590028
Energy: 1.4998997389701116
Energy: 1.2845848219147185
Energy: 1.4998997389701116
Energy: 1.3796809773599226
Energy: 1.4376140241191837
Energy: 1.4157520965315171
Energy: 1.4376140241191837
Energy: 1.3684474141461493
Energy: 1.5556505451159781
Energy: 1.3084580162435282
Energy: 1.5556505451159781
Energy: 1.3927868609852447
Energy: 1.4936600138498026
Energy: 1.3600400408269513
Energy: 1.4936600138487401
Energy: 1.374073707592819
Energy: 1.493517729291601
Energy: 1.360292615008888
Energy: 1.493517729291601
Energy: 1.3590406946305686
Energy: 1.4744419371719228
Energy: 1.3093214847455081
Energy: 1.4744419371719228
Energy: 1.3785257570550162
Energy: 1.4415327703338852
Energy: 1.4146116811348313
Energy: 1.4415327703328225
Energy: 1.2777887334853975
Energy: 1.5017942297290912
Energy: 1.2817547467781425
Energy: 1.5017942297301539
Energy: 1.4152898248604857
Energy: 1.9620788989587006
Energy: 1.3299155274392556
Energy: 1.9620788989587006
Energy: 1.251194243186296
Energy: 1.55713086369964
Energy: 1.251136816553485
Energy: 1.55713086369964
Energy: 1.3271330023435763
Energy: 1.4590084715712741
Energy: 1.3894588262858885
Energy: 1.4590084715712741
Energy: 1.3045567493033716
Energy: 1.4882905007648046
Energy: 1.328799169230224
Energy: 1.4882905007648046
Energy: 1.4330394986845216
Energy: 1.5556631785132355
Energy: 1.3612419181838764
Energy: 1.555663178512173
Energy: 1.3789056387294454
Energy: 1.440553295514814
Energy: 1.359040484180984
Energy: 1.440553295514814
Energy: 1.4212376274086826
Energy: 1.4944943975520661
Energy: 1.4365686147754908
Energy: 1.4944943975531284
Energy: 1.4140982262087234
Energy: 1.4700208987443384
Energy: 1.3592745073630614
Energy: 1.4700208987443384
Energy: 1.3440277177840894
Energy: 1.5555707205165947
Energy: 1.368339495476803
Energy: 1.5555707205165947
Energy: 1.3627110638351576
Energy: 1.4011547106287632
Energy: 1.3271974398990918
Energy: 1.4011547106287632

minimum gb energy = 1.251136816553485 eV
minimum distance =  2.20398139609363 Angstroms
sigma value = 9


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

Energy: 1.4845782777296046
Energy: 1.4744316772487203
Energy: 1.572045230477148
Energy: 1.4744316772487203
Energy: 1.4193304210427977
Energy: 1.5155248978605085
Energy: 1.4213375384243994
Energy: 1.5155248978605085
Energy: 1.4047858490257803
Energy: 1.4510880083023938
Energy: 1.418688714805911
Energy: 1.4510880083023938
Energy: 1.63120531970295
Energy: 1.601444628237076
Energy: 1.3480016287418723
Energy: 1.601444628237076
Energy: 1.5417345076270468
Energy: 1.5291700243107924
Energy: 1.595620038083377
Energy: 1.52917002431206
Energy: 1.2814999798610058
Energy: 1.4508851475765572
Energy: 1.455898047426799
Energy: 1.4508851475752895
Energy: 1.4453260499716811
Energy: 1.4907739377356293
Energy: 1.348605276069249
Energy: 1.4907739377356293
Energy: 1.4316880212530658
Energy: 1.4510824432327634
Energy: 1.333900293529755
Energy: 1.4510824432314957
Energy: 1.4310282743542273
Energy: 1.5155617337240739
Energy: 1.4964607744345733
Energy: 1.5155617337240739
Energy: 1.4462611165634462
Energy: 1.489369570017111
Energy: 1.4557870651257139
Energy: 1.489369570017111
Energy: 1.3571953905141123
Energy: 1.5130981728857196
Energy: 1.4038925033746854
Energy: 1.5130981728857196
Energy: 1.533597701627036
Energy: 1.518541810515885
Energy: 1.3482211712846972
Energy: 1.5185418105171524
Energy: 1.2811947863824982
Energy: 1.4515775773343755
Energy: 1.4136336748739737
Energy: 1.4515775773305732
Energy: 1.4537683598911102
Energy: 2.1156615402797874
Energy: 1.43769158897153
Energy: 2.1156615402810544
Energy: 1.2811980885683973
Energy: 1.4514377564002374
Energy: 1.4310987349838258
Energy: 1.4514377564002374
Energy: 1.5335320548935378
Energy: 1.5186440344206875
Energy: 1.3484914153542156
Energy: 1.51864403441942
Energy: 1.3557633914863696
Energy: 1.5129232381648259
Energy: 1.4188511495129514
Energy: 1.5129232381635582
Energy: 1.4460692022612667
Energy: 1.4891733450471558
Energy: 1.4556198365821538
Energy: 1.4891733450471558
Energy: 1.4311942400769582
Energy: 1.5150783928691425
Energy: 1.4964866322192325
Energy: 1.5150783928704097
Energy: 1.4316650331250647
Energy: 1.4902326568782145
Energy: 1.333931298511099
Energy: 1.4902326568769473
Energy: 1.4454125094425485
Energy: 1.490914922351531
Energy: 1.348614078175957
Energy: 1.4909149223527987

minimum gb energy = 1.2811947863824982 eV
minimum distance =  2.26497009653058 Angstroms
sigma value = 25


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

Energy: 1.3603944545458029
Energy: 1.631737294658347
Energy: 1.567062209599162
Energy: 1.631737294658347
Energy: 1.3224258388418035
Energy: 1.4620213371219386
Energy: 1.2931433898406006
Energy: 1.462021337120371
Energy: 1.4855318558900017
Energy: 1.695751709855594
Energy: 1.2932014247992336
Energy: 1.695751709855594
Energy: 1.5472801826953255
Energy: 1.6219814385778946
Energy: 1.505632331449468
Energy: 1.6219814385778946
Energy: 1.5039549345516892
Energy: 1.32184858633739
Energy: 1.7398987142877633
Energy: 1.32184858633739
Energy: 1.2938970363800761
Energy: 1.7045237550154961
Energy: 1.484460325541912
Energy: 1.7045237550139285
Energy: 1.6178617488701175
Energy: 1.5183407361931003
Energy: 1.4859675724504289
Energy: 1.5183407361946677
Energy: 1.673221537475486
Energy: 1.6371189987514507
Energy: 1.359377467337432
Energy: 1.6371189987514507
Energy: 1.2930192366260247
Energy: 1.4615710882223019
Energy: 1.323771321105322
Energy: 1.4615710882207342
Energy: 1.5752567035997995
Energy: 1.5046821837514577
Energy: 1.484549793686691
Energy: 1.5046821837295117
Energy: 1.4222461224068104
Energy: 1.6446244703149426
Energy: 1.6924508013965707
Energy: 1.6446244703149426
Energy: 1.4381600877751872
Energy: 1.4719134832166798
Energy: 1.5762223190347184
Energy: 1.4719134832166798
Energy: 1.477648212303305
Energy: 1.666349875894837
Energy: 1.2930055214521938
Energy: 1.666349875894837
Energy: 1.4383278238414552
Energy: 1.516078162585498
Energy: 1.5477377288180083
Energy: 1.516078162585498
Energy: 1.4425354423732661
Energy: 1.6333702426720798
Energy: 1.6775163021097328
Energy: 1.6333702426720798
Energy: 1.322510892388593
Energy: 1.6583762821802792
Energy: 1.2935193554300617
Energy: 1.658376282177144
Energy: 1.2932192743394593
Energy: 1.428699219286919
Energy: 1.5745035002775016
Energy: 1.4286992192853516

minimum gb energy = 1.2930055214521938 eV
minimum distance =  2.27403465403195 Angstroms
sigma value = 17


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

Energy: 1.511608596316372
Energy: 1.5245328454285576
Energy: 1.6911206780469832
Energy: 1.524532845431221
Energy: 1.5467945140958832
Energy: 1.4199797740452806
Energy: 1.3240053764914201
Energy: 1.4199797740452806
Energy: 1.6812441080537215
Energy: 1.500638507248035
Energy: 1.3232111110488547
Energy: 1.5006385072533617
Energy: 1.4492496675614126
Energy: 1.5222718247833253
Energy: 1.5070607395905213
Energy: 1.5222718247833253
Energy: 1.5925180272081574
Energy: 1.592790556613038
Energy: 1.5903822309056552
Energy: 1.592790556613038
Energy: 1.352956298994117
Energy: 1.507849281546965
Energy: 1.6714948278916868
Energy: 1.5078492815549551
Energy: 1.4186012339546787
Energy: 1.4943936218787313
Energy: 1.41905523837932
Energy: 1.4943936218787313
Energy: 1.67344998583842
Energy: 1.508053305483422
Energy: 1.350354842523049
Energy: 1.5080533054896366
Energy: 1.3539922636155646
Energy: 1.65956071003073
Energy: 1.5586920642461328
Energy: 1.6595607100316179
Energy: 1.6927813483476382
Energy: 1.4837701640482432
Energy: 1.3260866033184748
Energy: 1.4837701640482432
Energy: 1.3296064958372116
Energy: 1.5195655037781362
Energy: 1.6904667058317664
Energy: 1.5195655037772484
Energy: 1.4410824617230251
Energy: 1.4923748092969806
Energy: 1.4436077280162134
Energy: 1.4923748092960927
Energy: 1.5445759435284976
Energy: 1.5225164780313225
Energy: 1.4920318688268195
Energy: 1.5225164780313225
Energy: 1.3234010235375933
Energy: 1.6891382108133277
Energy: 1.532997253451027
Energy: 1.6891382108133277
Energy: 1.4758627232776262
Energy: 1.4953265652585237
Energy: 1.4473338938328622
Energy: 1.4953265652594114
Energy: 1.5478858217379976
Energy: 1.5502705872118603
Energy: 1.5283523138741
Energy: 1.550270587213636
Energy: 1.418630617421871
Energy: 1.5523168323291903
Energy: 1.704778517365172
Energy: 1.5523168323309657
Energy: 1.4933899217840525
Energy: 1.5022950642677029
Energy: 1.35271442496919
Energy: 1.5022950642677029
Energy: 1.4101054191928921
Energy: 1.5542233278712276
Energy: 1.4299508311854017
Energy: 1.5542233278712276
Energy: 1.485808771122427
Energy: 1.6583800932149855
Energy: 1.4218084743239943
Energy: 1.6583800932140975
Energy: 1.418187374721524
Energy: 1.5006695679743607
Energy: 1.5272350033232729
Energy: 1.5006695679770239
Energy: 1.420505769914572
Energy: 1.6320535829261202
Energy: 1.6867277244789125
Energy: 1.6320535829270082
Energy: 1.5268087922045215
Energy: 1.523082845764018
Energy: 1.3228495471888746
Energy: 1.52308284576313
Energy: 1.44289497948943
Energy: 1.5617341912618543
Energy: 1.6603259464912228
Energy: 1.5617341912609666
Energy: 1.5035656110640214
Energy: 1.6385195625800386
Energy: 1.6813853933833327
Energy: 1.6385195625800386
Energy: 1.6014621651609107
Energy: 1.6603020748507116
Energy: 1.3246302042359495
Energy: 1.6603020748507116
Energy: 1.4223423895784408
Energy: 1.5937888114415069
Energy: 1.7383682107498506
Energy: 1.5937888114423946
Energy: 1.5332353619742465
Energy: 1.5070914434993974
Energy: 1.5417381791563638
Energy: 1.5070914435011726
Energy: 1.687170790688149
Energy: 1.6793973919559928
Energy: 1.4210034561669762
Energy: 1.6793973919559928
Energy: 1.350537754462261
Energy: 1.5558993540872719
Energy: 1.4952001382962252
Energy: 1.5558993540872719

minimum gb energy = 1.3228495471888746 eV
minimum distance =  2.17470496203955 Angstroms
sigma value = 53


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

Energy: 1.2342359690538198
Energy: 1.2338133411759704
Energy: 1.6199507393649295
Energy: 1.2338133411759704
Energy: 1.5497806212004606
Energy: 1.4073028709850162
Energy: 1.3555604904228022
Energy: 1.4073028709850162
Energy: 1.235467410116354
Energy: 1.233717133840147
Energy: 1.472225450792975
Energy: 1.2337171338421906
Energy: 1.2350936620936837
Energy: 1.2336903648401238
Energy: 1.4129763807173965
Energy: 1.2336903648401238
Energy: 1.5498285286984368
Energy: 1.407282325041779
Energy: 1.3551590310166974
Energy: 1.407282325041779
Energy: 1.2342359690538198
Energy: 1.2338133411759704
Energy: 1.6201502415595754
Energy: 1.2338133411759704
Energy: 1.5497758961395134
Energy: 1.4073028709850162
Energy: 1.4027399322134195
Energy: 1.4073028709829725
Energy: 1.2354674101143104
Energy: 1.233717133840147
Energy: 1.4722254263514223
Energy: 1.233717133840147
Energy: 1.2350936620936837
Energy: 1.2336903648401238
Energy: 1.3830641070722125
Energy: 1.2336903648380801
Energy: 1.5498285307516066
Energy: 1.407282325041779
Energy: 1.5392654892119217
Energy: 1.407282325041779
Energy: 1.2342359690538198
Energy: 1.2338133411739267
Energy: 1.7774090389177566
Energy: 1.2338133411759704
Energy: 1.5497768303511679
Energy: 1.4073028709850162
Energy: 1.527887360292754
Energy: 1.4073028709850162
Energy: 1.2354674101143104
Energy: 1.233717133840147
Energy: 1.4722254242104138
Energy: 1.2337171338421906

minimum gb energy = 1.2336903648380801 eV
minimum distance =  2.25451257020172 Angstroms
sigma value = 9


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

Energy: 1.4600359703351882
Energy: 1.6306643571526294
Energy: 1.7784941535380439
Energy: 1.6306643571533856
Energy: 1.7495540769551707
Energy: 1.4955256117420876
Energy: 1.4278297034475056
Energy: 1.4955256117428442
Energy: 1.374741722510312
Energy: 1.3611202340514705
Energy: 1.3648718129669015
Energy: 1.3611202340560093
Energy: 1.588826169863344
Energy: 1.6773924478066262
Energy: 1.4222514922265332
Energy: 1.6773924478058697
Energy: 1.661409946516402
Energy: 1.4604052413042725
Energy: 1.4460010202229634
Energy: 1.4604052413004904
Energy: 1.434276552974458
Energy: 1.4368535547476324
Energy: 1.830281442381712
Energy: 1.4368535547476324
Energy: 1.8781991969979936
Energy: 1.434658359998581
Energy: 1.4567366416900458
Energy: 1.4346583599978244
Energy: 1.3928143681394267
Energy: 1.695322938307888
Energy: 1.574300590281859
Energy: 1.6953229383048622
Energy: 1.3771884302879338
Energy: 1.69593329779867
Energy: 1.4406085751407824
Energy: 1.695933297800183
Energy: 1.4300930193336077
Energy: 1.464593541249958
Energy: 1.4628316786133573
Energy: 1.4645935412507145
Energy: 1.3939651634868322
Energy: 1.5812884119929334
Energy: 1.7406128439822808
Energy: 1.5812884119929334
Energy: 1.6384603494743926
Energy: 1.5891456544118767
Energy: 1.3808858411050389
Energy: 1.589145654446674
Energy: 1.3756739782312573
Energy: 1.5110485040049717
Energy: 1.6998118238946465
Energy: 1.5110485040011892
Energy: 1.6221361865098964
Energy: 1.7240805042345315
Energy: 1.393011604314103
Energy: 1.724080504238314
Energy: 1.3976033336052844
Energy: 1.529733156820204
Energy: 1.6279415294253694
Energy: 1.5297331568209602
Energy: 1.3797649492256854
Energy: 1.6985638243844445
Energy: 1.561588337968461
Energy: 1.6985638243821748
Energy: 1.5437672259763402
Energy: 1.6597611387478997
Energy: 1.3979762383697791
Energy: 1.6597611382874238
Energy: 1.3970999205702228
Energy: 1.4935554149520847
Energy: 1.707386791468274
Energy: 1.4935554149490586
Energy: 1.6549986138091548
Energy: 1.586542239142812
Energy: 1.4332431360159181
Energy: 1.586542239142812
Energy: 1.3822148016644866
Energy: 1.4735593625539938
Energy: 1.6148404202894293
Energy: 1.4735593625547503
Energy: 1.5585990206736688
Energy: 1.6794632297911
Energy: 1.5456757780823192
Energy: 1.6794632297911
Energy: 1.5604022180398882
Energy: 1.3772187620036387
Energy: 1.3759393359800784
Energy: 1.3772187620028822
Energy: 1.4404913700834396
Energy: 1.515467503911065
Energy: 1.4516899498110556
Energy: 1.5154675039118215
Energy: 1.759792501337311
Energy: 1.582003586035778
Energy: 1.3914124891447577
Energy: 1.5820035860327522
Energy: 1.3936699990412593
Energy: 1.5722921411144934
Energy: 1.8213196583455453
Energy: 1.5722921411160067
Energy: 1.451936919464701
Energy: 1.3605975866587232
Energy: 1.3724766709476008
Energy: 1.3605975866587232
Energy: 1.5915759334269723
Energy: 1.6369577742352828
Energy: 1.575849210213498
Energy: 1.6369577742345263
Energy: 1.4580670673336458
Energy: 1.6253348435496295
Energy: 1.5825101187870354
Energy: 1.625334843550386
Energy: 1.4808449855150125
Energy: 1.3601727059353106
Energy: 1.3713564202830015
Energy: 1.3601727059337978
Energy: 1.3934421001218669
Energy: 1.5947776711449924
Energy: 1.792948719437096
Energy: 1.5947776711442356
Energy: 1.650625531091451
Energy: 1.5172135554817934
Energy: 1.3905332444923082
Energy: 1.5172135551627062
Energy: 1.4318653449367817
Energy: 1.502772176647203
Energy: 1.4365036812903882
Energy: 1.5027721766456903
Energy: 1.460910410770295
Energy: 1.567069183630625
Energy: 1.3751624970455014
Energy: 1.5670691836321378
Energy: 1.5716933446025378
Energy: 1.724620732841147
Energy: 1.5387747227387005
Energy: 1.7246207328388776
Energy: 1.3800836799626093
Energy: 1.7743021055582386
Energy: 1.854234076664705
Energy: 1.7743021055612647

minimum gb energy = 1.3601727059337978 eV
minimum distance =  2.18810657779752 Angstroms
sigma value = 73


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

Energy: 1.3715028041431632
Energy: 1.3711302914120287
Energy: 1.7311723587341497
Energy: 1.3711302914120287
Energy: 1.5758987410080005
Energy: 1.5112560397961339
Energy: 1.427568134353343
Energy: 1.5112560397949335
Energy: 1.4264426142026203
Energy: 1.3709652526111962
Energy: 1.4257136683372307
Energy: 1.3709652526111962
Energy: 1.3976697442156762
Energy: 1.5118218578081766
Energy: 1.454883623341394
Energy: 1.5118218578081766
Energy: 1.396258153548316
Energy: 1.4778519686815066
Energy: 1.4610247293917131
Energy: 1.4778519686803064
Energy: 1.479493301849609
Energy: 1.4139737402951296
Energy: 1.7822499335923572
Energy: 1.4139737402927564
Energy: 1.8666241407892428
Energy: 1.8658490406186683
Energy: 1.4528486939110326
Energy: 1.8658490406186683
Energy: 1.3984504668077318
Energy: 1.3709337671531994
Energy: 1.7710839769390485
Energy: 1.3709337671531994
Energy: 1.7766784762535484
Energy: 1.3715193095653935
Energy: 1.370623900468707
Energy: 1.3715193095665936
Energy: 1.4267291229372616
Energy: 1.4890494836516104
Energy: 1.428330008981228
Energy: 1.4890494836516104
Energy: 1.4418764174514913
Energy: 1.3709896271122912
Energy: 1.7607421525431979
Energy: 1.3709896271122912
Energy: 1.6495466813619135
Energy: 1.5099720097061378
Energy: 1.3992176852290839
Energy: 1.5099720097061378
Energy: 1.4540333416576494
Energy: 1.467942307483849
Energy: 1.6046559074182545
Energy: 1.467942307483849
Energy: 1.8340675859703799
Energy: 1.4695103717453797
Energy: 1.4383150358007464
Energy: 1.4695103717453797
Energy: 1.3987624751256238
Energy: 1.4863224205698633
Energy: 1.6996577154655408
Energy: 1.4863224205698633
Energy: 1.7607793550805393
Energy: 1.3709833082598033
Energy: 1.3987001381765458
Energy: 1.3709833082598033
Energy: 1.3715582813187503
Energy: 1.3722226930547283
Energy: 1.4273136585537676
Energy: 1.3722226930547283
Energy: 1.371042277982102
Energy: 1.372253529660601
Energy: 1.4387573712484851
Energy: 1.372253529660601
Energy: 1.6316226275039007
Energy: 1.3711523132137855
Energy: 1.3953206677636092
Energy: 1.3711523132137855
Energy: 1.4552685087537782
Energy: 1.4863002050754317
Energy: 1.8684177195045473
Energy: 1.4863002050754317
Energy: 1.8331896149282179
Energy: 1.4148691443749257
Energy: 1.4384844305837547
Energy: 1.4148691443737258
Energy: 1.4544370376519984
Energy: 1.4746981991439447
Energy: 1.5672620947560052
Energy: 1.4746981991439447

minimum gb energy = 1.370623900468707 eV
minimum distance =  2.20406300725827 Angstroms
sigma value = 7


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

Energy: 1.4069272437910973
Energy: 1.4071072547684045
Energy: 1.785402674524025
Energy: 1.4071072547675558
Energy: 1.7947826081714606
Energy: 1.5363299346437724
Energy: 1.4795014030958358
Energy: 1.5363299346437724
Energy: 1.3944086083398741
Energy: 1.4076101430542354
Energy: 1.487027316320628
Energy: 1.4076101430525383
Energy: 1.4972144829990814
Energy: 1.5035358615145689
Energy: 1.4828417667403206
Energy: 1.5035358615137202
Energy: 1.4105221670568087
Energy: 1.5132424130988427
Energy: 1.397749989823822
Energy: 1.5132424130988427
Energy: 1.3981656355080565
Energy: 1.4071550606830205
Energy: 1.7386084442882752
Energy: 1.4071550606813232
Energy: 1.712356772208463
Energy: 1.6708851659567838
Energy: 1.4624890936677681
Energy: 1.6708851659567838
Energy: 1.3986854004538432
Energy: 1.407227176825022
Energy: 1.8528144523532457
Energy: 1.407227176829265
Energy: 1.6588371417822074
Energy: 1.4817303040429737
Energy: 1.4468922977535268
Energy: 1.4817303040438226
Energy: 1.4406869477917585
Energy: 1.5020822240049607
Energy: 1.6065637268167734
Energy: 1.5020822240032634
Energy: 1.468224355593588
Energy: 1.642313066928534
Energy: 1.537253888138006
Energy: 1.642313066928534
Energy: 1.4090694937692194
Energy: 1.5131999507148335
Energy: 1.5029377124680403
Energy: 1.5131999507148335
Energy: 1.407379393478324
Energy: 1.408581931127431
Energy: 1.5044999678306934
Energy: 1.4085819311257337
Energy: 1.4869194608471266
Energy: 1.3927059706125975
Energy: 1.4832851671783724
Energy: 1.3927059706134461
Energy: 1.409000384741312
Energy: 1.695366190483687
Energy: 1.7513270620720756
Energy: 1.6953661904828383
Energy: 1.824551159975142
Energy: 1.3923871921806263
Energy: 1.4169251535486258
Energy: 1.3923871921797775
Energy: 1.4312111933508513
Energy: 1.5137241391445873
Energy: 1.6308950135159277
Energy: 1.5137241391445873
Energy: 1.4002578063079885
Energy: 1.649397381810887
Energy: 1.502629623869378
Energy: 1.6493973818125842
Energy: 1.4650851098023656
Energy: 1.4076014437775672
Energy: 1.5112373456024073
Energy: 1.4076014437750215
Energy: 1.4114350557973083
Energy: 1.4877365775385027
Energy: 1.4537329926065354
Energy: 1.4877365775385027
Energy: 1.4731430078416639
Energy: 1.6507630059071128
Energy: 1.4462419194291172
Energy: 1.65076300590881
Energy: 1.4130672508466937
Energy: 1.4079133635164034
Energy: 1.6580721404120087
Energy: 1.407913363514706
Energy: 1.7721276922338272
Energy: 1.5698478569216414
Energy: 1.4957546690504093
Energy: 1.5698478571710306
Energy: 1.4131042384039312
Energy: 1.4084265700775693
Energy: 1.8325932133249125
Energy: 1.4084265700758718
Energy: 1.5384487054210338
Energy: 1.4888665066884905
Energy: 1.4672777142987803
Energy: 1.4888665066935822
Energy: 1.4965002673149501
Energy: 1.6415964378868824
Energy: 1.4877288726181097
Energy: 1.6415964378885797
Energy: 1.4111825435110612
Energy: 1.5053444256308823
Energy: 1.5563141651190466
Energy: 1.5053444256283366
Energy: 1.473512787059066
Energy: 1.5138619870844867
Energy: 1.4825422480422445
Energy: 1.5138619870844867
Energy: 1.393616750656652
Energy: 1.4072710474706167
Energy: 1.7009660893180696
Energy: 1.4072710474706167
Energy: 1.625485976290218
Energy: 1.461450819899135
Energy: 1.497602916604218
Energy: 1.461450819901681
Energy: 1.3936778106683407
Energy: 1.4085887951698357
Energy: 1.6569252714780194
Energy: 1.4085887951689866

minimum gb energy = 1.3923871921797775 eV
minimum distance =  2.1930078120449 Angstroms
sigma value = 29


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

Energy: 1.3527131582371854
Energy: 1.311702884243511
Energy: 1.5276825732267645
Energy: 1.3117028842423615
Energy: 1.5079060282762398
Energy: 1.3540175294206795
Energy: 1.4419308781527518
Energy: 1.3540175294212706
Energy: 1.3707285399089042
Energy: 1.4084848997467492
Energy: 1.418768373883467
Energy: 1.4084848997467492
Energy: 1.3509941384883954
Energy: 1.283770700986317
Energy: 1.4619187880955142
Energy: 1.283770700984872
Energy: 1.353058992708433
Energy: 1.3673326580253558
Energy: 1.5079589401416333
Energy: 1.3673326580250602
Energy: 1.3999313680072156
Energy: 1.4095319006694471
Energy: 1.4647195265063293
Energy: 1.4095319006697429
Energy: 1.2830184325164
Energy: 1.367094487031378
Energy: 1.3530801378387898
Energy: 1.367094487031378
Energy: 1.4619268467925033
Energy: 1.2840530154939815
Energy: 1.3510154297534653
Energy: 1.2840530154936862
Energy: 1.4184996076906555
Energy: 1.4084729209771205
Energy: 1.464628782547906
Energy: 1.4084729209771205

minimum gb energy = 1.2830184325164 eV
minimum distance =  2.24728082224778 Angstroms
sigma value = 5


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

Energy: 1.3520169620469336
Energy: 1.3626172212067182
Energy: 1.5749859448483217
Energy: 1.3626172212067182
Energy: 1.3627142861100512
Energy: 1.4312388065903499
Energy: 1.346599202305252
Energy: 1.431238806588747
Energy: 1.3156900267545177
Energy: 1.3512948357282495
Energy: 1.580357596955156
Energy: 1.351294835727448
Energy: 1.478403798806885
Energy: 1.4219632343336197
Energy: 1.3256200522265127
Energy: 1.4219632343336197
Energy: 1.343501837347685
Energy: 1.4268800793519885
Energy: 1.506086307652892
Energy: 1.4268800793535918
Energy: 1.4241864185991655
Energy: 1.3645686819290916
Energy: 1.3255535162088854
Energy: 1.3645686819290916
Energy: 1.3067048381992015
Energy: 1.4270599722172503
Energy: 1.3267717169948137
Energy: 1.4270599722172503
Energy: 1.31348495785462
Energy: 1.3638552873661896
Energy: 1.3306863175720618
Energy: 1.3638552873653877
Energy: 1.3175692892242203
Energy: 1.429258085065514
Energy: 1.3523927706934067
Energy: 1.4292580850647123
Energy: 1.3210506625617784
Energy: 1.4279439731774757
Energy: 1.346239628318246
Energy: 1.427943973176674
Energy: 1.4122886237451378
Energy: 1.3660689339356653
Energy: 1.3351504309171731
Energy: 1.3660689339356653
Energy: 1.3402007866122174
Energy: 1.437968992118481
Energy: 1.4301101738522835
Energy: 1.4379689921176793
Energy: 1.4538099804593034
Energy: 1.3635864159771216
Energy: 1.3683794858556229
Energy: 1.3635864159771216
Energy: 1.3415890733296802
Energy: 1.3637515814396233
Energy: 1.363815639173199
Energy: 1.3637515814396233
Energy: 1.3551767243597057
Energy: 1.31884110483507
Energy: 1.3328913780159315
Energy: 1.318841104835872
Energy: 1.3234142747973208
Energy: 1.351728852886959
Energy: 1.5645104364477165
Energy: 1.3517288528877607
Energy: 1.536721752322575
Energy: 1.3430436262161047
Energy: 1.3548098499294123
Energy: 1.3430436262153032
Energy: 1.328160714186246
Energy: 1.3628284251205234
Energy: 1.7203872316582447
Energy: 1.3628284251205234
Energy: 1.3315499386413263
Energy: 1.4306086527108814
Energy: 1.307914156566221
Energy: 1.4306086527108814
Energy: 1.3159521566107342
Energy: 1.4529391334700623
Energy: 1.3342512883491788
Energy: 1.452939133473269
Energy: 1.3243993350798473
Energy: 1.4185490883938556
Energy: 1.3216492612842363
Energy: 1.4185490883946574
Energy: 1.358912535761166
Energy: 1.4273416232575193
Energy: 1.3183614051255224
Energy: 1.4273416232575193
Energy: 1.3371256168173828
Energy: 1.362896764650191
Energy: 1.329180130364352
Energy: 1.3628967646493895
Energy: 1.3624898178562046
Energy: 1.3722611250515984
Energy: 1.335251742609385
Energy: 1.3722611250507968
Energy: 1.363894434147111
Energy: 1.3542030800076292
Energy: 1.3250342280345604
Energy: 1.354203079980373
Energy: 1.3487006255954317
Energy: 1.3635642029802089
Energy: 1.3308352249444724
Energy: 1.3635642029802089
Energy: 1.3369671695506846
Energy: 1.40908027538972
Energy: 1.4091018408324933
Energy: 1.40908027538972
Energy: 1.5866591048015666
Energy: 1.432030613589299
Energy: 1.3234467897035227
Energy: 1.432030613589299
Energy: 1.3420317127643715
Energy: 1.3309297307991033
Energy: 1.364205877036198
Energy: 1.330929730799905
Energy: 1.6903306305156658
Energy: 1.3625822947212107
Energy: 1.328278268325152
Energy: 1.3625822947212107
Energy: 1.3132051890723222
Energy: 1.3349494714567782
Energy: 1.6924842771959907
Energy: 1.3349494714551748
Energy: 1.5078813362872383
Energy: 1.4291025575743252
Energy: 1.3438003310467646
Energy: 1.4291025575839453
Energy: 1.3262814237835931
Energy: 1.4214732424818852
Energy: 1.50234916279128
Energy: 1.4214732424818852

minimum gb energy = 1.3067048381992015 eV
minimum distance =  2.20286144987094 Angstroms
sigma value = 1


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

Energy: 1.3123212126703183
Energy: 1.3123930081605417
Energy: 1.7424811273654002
Energy: 1.3123930081616504
Energy: 1.375864197068262
Energy: 1.3943911039556036
Energy: 1.2864600311329677
Energy: 1.3943911039556036
Energy: 1.2538265384192133
Energy: 1.312716571656354
Energy: 1.716691179699298
Energy: 1.3127165716574623
Energy: 1.542793377425578
Energy: 1.3944603757558887
Energy: 1.2680771408274354
Energy: 1.3944603757536718
Energy: 1.2544033556774874
Energy: 1.3095209889109436
Energy: 1.4943743127245641
Energy: 1.3095209889098354
Energy: 1.2546341938552668
Energy: 1.3899916861065473
Energy: 1.2684476315584143
Energy: 1.389991686103222
Energy: 1.2543220200194796
Energy: 1.4338773401476188
Energy: 1.3416424470727262
Energy: 1.433877340148727
Energy: 1.2479858364865575
Energy: 1.3141119062747992
Energy: 1.3649210471393258
Energy: 1.3141119062770164
Energy: 1.311804165540825
Energy: 1.3109710065987703
Energy: 1.2921786637427701
Energy: 1.3109710065987703
Energy: 1.3118659545058466
Energy: 1.311133801255351
Energy: 1.3647840316707887
Energy: 1.3111338012564597
Energy: 1.2486013801371225
Energy: 1.3142074760357119
Energy: 1.2914127569296123
Energy: 1.3142074760357119
Energy: 1.2543357792415875
Energy: 1.4338175171971317
Energy: 1.3722445162760004
Energy: 1.4338175171949148
Energy: 1.254535645911774
Energy: 1.3905422734444648
Energy: 1.268222590893736
Energy: 1.3905422734444648
Energy: 1.2543344261972083
Energy: 1.3095175209736214
Energy: 1.516553324047203
Energy: 1.3095175209736214
Energy: 1.5430442833856348
Energy: 1.3903348885084854
Energy: 1.268216580954551
Energy: 1.3903348885084854
Energy: 1.2538655418876425
Energy: 1.3128278417974952
Energy: 1.6222657063068358
Energy: 1.3128278417974952
Energy: 1.3758223954252518
Energy: 1.3942991258514577
Energy: 1.2864535895367464
Energy: 1.3942991258514577
Energy: 1.3123212126714265
Energy: 1.3123930081605417
Energy: 1.6516807180811126
Energy: 1.3123930081627584
Energy: 1.375864197068262
Energy: 1.394391103956712
Energy: 1.2864600311329677
Energy: 1.3943911039544952
Energy: 1.2538265384181049
Energy: 1.3127165716574623
Energy: 1.716691179699298
Energy: 1.3127165716574623
Energy: 1.5427933567315995
Energy: 1.3944603757547802
Energy: 1.2680771408285436
Energy: 1.3944603757536718
Energy: 1.2544033556774874
Energy: 1.309520988908727
Energy: 1.4943743127245641
Energy: 1.3095209889098354
Energy: 1.2546341938563754
Energy: 1.389991686110981
Energy: 1.2684476315584143
Energy: 1.3899916861098724
Energy: 1.254322020018371
Energy: 1.4338773401476188
Energy: 1.3416424470727262
Energy: 1.433877340148727

minimum gb energy = 1.2479858364865575 eV
minimum distance =  2.21713921246825 Angstroms
sigma value = 17


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

Energy: 1.3052517515308613
Energy: 1.306139762842686
Energy: 1.6259088311044074
Energy: 1.3061397628440563
Energy: 1.4429941554129033
Energy: 1.2905883418918171
Energy: 1.2701738542523568
Energy: 1.2905883418931872
Energy: 1.267126296152292
Energy: 1.2891927867194848
Energy: 1.5231397283816068
Energy: 1.2891927867194848
Energy: 1.3823316330149127
Energy: 1.5057275763768267
Energy: 1.2642901128675421
Energy: 1.5057275763768267
Energy: 1.2649093819437645
Energy: 1.3842783638195033
Energy: 1.5481750421611222
Energy: 1.3842783638201883
Energy: 1.3520264163553697
Energy: 1.5236495343000798
Energy: 1.2813804367455093
Energy: 1.5236495342987095
Energy: 1.290762522538367
Energy: 1.364028609704003
Energy: 1.3396125296019399
Energy: 1.3640286097046879
Energy: 1.2837116807166702
Energy: 1.5356715264646406
Energy: 1.261043104122969
Energy: 1.535671526463955
Energy: 1.3033800850238715
Energy: 1.5347831356300827
Energy: 1.386143465786521
Energy: 1.5347831356293977
Energy: 1.2884106502151325
Energy: 1.3494701339680082
Energy: 1.2687858062724693
Energy: 1.3494701339680082
Energy: 1.2581177248317286
Energy: 1.5154545466273313
Energy: 1.2654549743996635
Energy: 1.515454546626646
Energy: 1.2578309705392208
Energy: 1.355486584271529
Energy: 1.250525938458917
Energy: 1.355486584271529
Energy: 1.2555829229946416
Energy: 1.5232973512920298
Energy: 1.2684692103908919
Energy: 1.5232973512906598
Energy: 1.2878629075000951
Energy: 1.3854330675528597
Energy: 1.3048706664058813
Energy: 1.3854330675521747
Energy: 1.3249282076798852
Energy: 1.5081522377309504
Energy: 1.3169060428144543
Energy: 1.5081522377309504
Energy: 1.2727746451853792
Energy: 1.2901566421674302
Energy: 1.5568154451997929
Energy: 1.2901566421694854
Energy: 1.3167006483721748
Energy: 1.5068279227963146
Energy: 1.2694245078791573
Energy: 1.5068279227976848
Energy: 1.2583278160028608
Energy: 1.3057714714869926
Energy: 1.7516514642023986
Energy: 1.3057714714869926
Energy: 1.4289912003170442
Energy: 1.359160586562066
Energy: 1.2695972003650595
Energy: 1.359160586563436
Energy: 1.2755593049190443
Energy: 1.2898729797696662
Energy: 1.6211670027402432
Energy: 1.2898729797689812
Energy: 1.299057062404603
Energy: 1.281530342763411
Energy: 1.2890945696703533
Energy: 1.2815303427627263
Energy: 1.2895584158014504
Energy: 1.541919136526987
Energy: 1.539690007716103
Energy: 1.541919136526987
Energy: 1.605925519465794
Energy: 1.277418499218867
Energy: 1.2779081494768023
Energy: 1.2774184992202373
Energy: 1.2697591883427402
Energy: 1.3659556409687756
Energy: 1.4405854262356816
Energy: 1.3659556409680904
Energy: 1.5732767710128852
Energy: 1.3063478527825387
Energy: 1.2605543473612908
Energy: 1.306347852779113
Energy: 1.2722710226982765
Energy: 1.3867347396349206
Energy: 1.3171849702628156
Energy: 1.3867347396342353
Energy: 1.4218683893918431
Energy: 1.343077693086853
Energy: 1.2752293400419143
Energy: 1.3430776930875379
Energy: 1.317121037461696
Energy: 1.5128365771102896
Energy: 1.269610458301376
Energy: 1.512836577112345
Energy: 1.304507353754593
Energy: 1.3842964953993648
Energy: 1.2808101377569634
Energy: 1.3842964953986796
Energy: 1.2719375192427975
Energy: 1.338360019339285
Energy: 1.3429832815696185
Energy: 1.33836001933997
Energy: 1.2490619076934222
Energy: 1.3823832687489757
Energy: 1.257971875187344
Energy: 1.3823832687489757
Energy: 1.2707008846674532
Energy: 1.5095645520994807
Energy: 1.267706717639548
Energy: 1.50956455209811
Energy: 1.2750658692665058
Energy: 1.3514174706925313
Energy: 1.4509539566063159
Energy: 1.3514174706952713
Energy: 1.3899561032320717
Energy: 1.5354648051607975
Energy: 1.2838535466542653
Energy: 1.5354648051607975
Energy: 1.2605222420892739
Energy: 1.3072274446533794
Energy: 1.313542945110075
Energy: 1.3072274446533794
Energy: 1.3396864143701024
Energy: 1.366346860868799
Energy: 1.288647312097535
Energy: 1.366346860868114
Energy: 1.2778972201628556
Energy: 1.51896632978619
Energy: 1.259311588248289
Energy: 1.518966329785505
Energy: 1.5681833018044014
Energy: 1.3880617483553268
Energy: 1.2733254759394486
Energy: 1.3880617483553268

minimum gb energy = 1.2490619076934222 eV
minimum distance =  2.2049428557131 Angstroms
sigma value = 89


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

Energy: 1.1527940377334243
Energy: 1.1528560572706643
Energy: 1.859753174893937
Energy: 1.1528560572706643
Energy: 1.1530264128504193
Energy: 1.1930500888946642
Energy: 1.174138044789195
Energy: 1.1930500888946642
Energy: 1.1710900572291203
Energy: 1.366958361596344
Energy: 1.8752923285921195
Energy: 1.366958361596344
Energy: 1.4771105974307885
Energy: 1.1932365088927597
Energy: 1.1744300341642873
Energy: 1.1932365088927597
Energy: 1.1704981248968434
Energy: 1.2633394946357757
Energy: 1.7961028936762309
Energy: 1.2633394946357757
Energy: 1.1708608646730532
Energy: 1.153195476268648
Energy: 1.1532114628491665
Energy: 1.153195476268648
Energy: 1.1713042126195143
Energy: 1.3672343586447435
Energy: 1.1528403546113895
Energy: 1.3672343586447435
Energy: 1.182383990078164
Energy: 1.366269303204943
Energy: 1.1746669062394706
Energy: 1.366269303204943
Energy: 1.1705913016702945
Energy: 1.2672931547874904
Energy: 1.222944042536423
Energy: 1.2672931547874904
Energy: 1.1929136520437984
Energy: 1.1544818585982792
Energy: 1.170659758818782
Energy: 1.1544818586000718
Energy: 1.1523821315393032
Energy: 1.1937095329203895
Energy: 1.1707110127195184
Energy: 1.1937095329203895
Energy: 1.152673453383549
Energy: 1.3676677615075923
Energy: 1.1742664909415792
Energy: 1.3676677615075923
Energy: 1.1706005990847523
Energy: 1.1542501093804856
Energy: 1.1905550718275684
Energy: 1.1542501093804856
Energy: 1.1706656380947125
Energy: 1.263733266158374
Energy: 1.1705777331746445
Energy: 1.263733266158374
Energy: 1.1784454115852239
Energy: 1.1543014708497998
Energy: 1.170658185472111
Energy: 1.1543014708497998

minimum gb energy = 1.1523821315393032 eV
minimum distance =  2.23189627568137 Angstroms
sigma value = 13


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

Energy: 1.1702909292514665
Energy: 1.4636261069019443
Energy: 1.6004308518892838
Energy: 1.463626107064914
Energy: 1.2388182339029832
Energy: 1.4594712669401626
Energy: 1.1252047148450657
Energy: 1.4594712669401626
Energy: 1.1345334540589178
Energy: 1.2977983616590378
Energy: 1.3599447037840509
Energy: 1.297798361915924
Energy: 1.1541589977849351
Energy: 1.4595714909143753
Energy: 1.1225474485836509
Energy: 1.4595714909099358
Energy: 1.1411601715365434
Energy: 1.6048916105345867
Energy: 1.4881644943402568
Energy: 1.6048916105353381
Energy: 1.1392194190804574
Energy: 1.3101490636261952
Energy: 1.144014765654954
Energy: 1.310149063629952
Energy: 1.1414507290839984
Energy: 1.44362929426103
Energy: 1.4302187788010006
Energy: 1.4436292942617812
Energy: 1.1642449392704095
Energy: 1.5869620660955361
Energy: 1.144002692470398
Energy: 1.5869620660888426
Energy: 1.1411821688027053
Energy: 1.569716832040622
Energy: 1.3676399335832246
Energy: 1.569716832039871
Energy: 1.3303767698997575
Energy: 1.390675668833599
Energy: 1.12249993939852
Energy: 1.3906756688343502
Energy: 1.1412304756348182
Energy: 1.409885676472578
Energy: 1.1559065840647318
Energy: 1.4098856764740806
Energy: 1.4349728907313217
Energy: 1.3904346408139399
Energy: 1.1304892856577369
Energy: 1.3904346408139399
Energy: 1.184946592389791
Energy: 1.3089910099062236
Energy: 1.1555718319372934
Energy: 1.3089910098799271
Energy: 1.4519896240101127
Energy: 1.4113066618490948
Energy: 1.131157714897023
Energy: 1.411306661845338
Energy: 1.1409264593704915
Energy: 1.5564570524789054
Energy: 1.162883703766165
Energy: 1.5564570524819108
Energy: 1.126027273246125
Energy: 1.4114151173690825
Energy: 1.119199444056478
Energy: 1.4114151173435374
Energy: 1.140512940718205
Energy: 1.2071043014988199
Energy: 1.1196922211388325
Energy: 1.2071043015025764
Energy: 1.1568512439155088
Energy: 1.5623232754368257
Energy: 1.1399626844222592
Energy: 1.5623232754368257
Energy: 1.1413352423647762
Energy: 1.5648326224574705
Energy: 1.1401787705067303
Energy: 1.564832622454465
Energy: 1.1405064906178313
Energy: 1.5646609570090246
Energy: 1.1402382794516508
Energy: 1.56466095701203
Energy: 1.1570836376543854
Energy: 1.5623228025543447
Energy: 1.14020005237926
Energy: 1.5623228025558475
Energy: 1.1402838798351231
Energy: 1.207015040200765
Energy: 1.1196382521474666
Energy: 1.207015040205273
Energy: 1.1258519834110146
Energy: 1.4114759849088845
Energy: 1.119454472259313
Energy: 1.4114759849051277
Energy: 1.1413089288781904
Energy: 1.5563257002905426
Energy: 1.1626134349872805
Energy: 1.556325700292045
Energy: 1.4522375313580747
Energy: 1.3906984047155784
Energy: 1.1306575211318075
Energy: 1.3906984047208382
Energy: 1.1847903464605214
Energy: 1.3092642881003103
Energy: 1.1621129694528995
Energy: 1.3092642881003103
Energy: 1.4353958438359036
Energy: 1.3906569838790532
Energy: 1.1310377829867886
Energy: 1.3906569838767993
Energy: 1.141320771597569
Energy: 1.4099182839424413
Energy: 1.1216257771388862
Energy: 1.4099182839401874
Energy: 1.329278575141959
Energy: 1.390727052100472
Energy: 1.1224714623963261
Energy: 1.3907270521079853
Energy: 1.14149708433752
Energy: 1.5695362657210645
Energy: 1.2904449044067552
Energy: 1.5695362657210645
Energy: 1.164162208423169
Energy: 1.5866548763769759
Energy: 1.1442551472200453
Energy: 1.5866548763754735
Energy: 1.140909913262584
Energy: 1.4429610947682414
Energy: 1.511076530188477
Energy: 1.4429610947712466
Energy: 1.1403385871293445
Energy: 1.3095357484106078
Energy: 1.144027791578162
Energy: 1.309535748408354
Energy: 1.1413629600789068
Energy: 1.6050540645990208
Energy: 1.4814781987008598
Energy: 1.6050540646005236
Energy: 1.1607786902480541
Energy: 1.4604574816495053
Energy: 1.1224404343911052
Energy: 1.4604574816480027

minimum gb energy = 1.119199444056478 eV
minimum distance =  2.16761690049799 Angstroms
sigma value = 37


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

Energy: 1.2388950424563288
Energy: 1.2276198338843627
Energy: 1.4441110845949683
Energy: 1.2276198338856552
Energy: 1.298025472517306
Energy: 1.3396322072857267
Energy: 1.047004751445242
Energy: 1.3396322072870195
Energy: 1.074503119534559
Energy: 1.6032091774005313
Energy: 1.4354722823939503
Energy: 1.6032091774005313
Energy: 1.574283390700929
Energy: 1.2010513807203897
Energy: 1.0522024740141014
Energy: 1.2010513807203897
Energy: 1.0514746975595122
Energy: 1.3180530505500037
Energy: 1.18992684381141
Energy: 1.318053050548711
Energy: 1.4691530343061936
Energy: 1.4693514949370838
Energy: 1.1670064300749428
Energy: 1.4693514949370838
Energy: 1.069404775924694
Energy: 1.7456544940677252
Energy: 1.4419395588167325
Energy: 1.7456544940677252
Energy: 1.0354556785893398
Energy: 1.0820380843275637
Energy: 1.0856302101122088
Energy: 1.0820380843275637
Energy: 1.0476730607977305
Energy: 1.4044484615211181
Energy: 1.304054285969503
Energy: 1.4044484615211181
Energy: 1.4356085116883268
Energy: 1.4186528835120946
Energy: 1.1670078806459616
Energy: 1.4186528835108023
Energy: 1.071787818723436
Energy: 1.6186057842953858
Energy: 1.1656391976755498
Energy: 1.6186057842953858
Energy: 1.3626829081840404
Energy: 1.0812704848568278
Energy: 1.0525206349679597
Energy: 1.0812704848568278
Energy: 1.165758926377674
Energy: 1.5309703357098414
Energy: 1.068329698574325
Energy: 1.5309703357098414
Energy: 1.4335831120485152
Energy: 1.7214353309640618
Energy: 1.0355020957258034
Energy: 1.7214353309640618
Energy: 1.2274107961485363
Energy: 1.2524603748774938
Energy: 1.035542915209512
Energy: 1.2524603748774938
Energy: 1.2273330426504794
Energy: 1.4046258501962097
Energy: 1.0465191547623762
Energy: 1.4046258501962097
Energy: 1.1656588732709492
Energy: 1.203141644157785
Energy: 1.052913083398844
Energy: 1.203141644157785
Energy: 1.165591557371921
Energy: 1.6184829728884218
Energy: 1.0506140109209938
Energy: 1.6184829728935926
Energy: 1.0506055403551473
Energy: 1.0820506238843532
Energy: 1.050695018266244
Energy: 1.0820506238830605
Energy: 1.0508335229735795
Energy: 1.4045307718505513
Energy: 1.1658576096580675
Energy: 1.4045307718492586

minimum gb energy = 1.0354556785893398 eV
minimum distance =  2.23080972785186 Angstroms
sigma value = 25


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

Energy: 1.0121552012842805
Energy: 1.3363229646775603
Energy: 1.3640320099728773
Energy: 1.3363229646352126
Energy: 1.2219376415383991
Energy: 1.3481258446227522
Energy: 0.956105731781547
Energy: 1.3481258446227522
Energy: 0.9501947012672712
Energy: 0.950108732386772
Energy: 1.6570630005406903
Energy: 0.9501087323858084
Energy: 1.030486313742332
Energy: 1.3478980497359294
Energy: 0.9561398985567963
Energy: 1.3478980497450137
Energy: 0.9551272809126995
Energy: 1.3474303955056603
Energy: 1.0377464732557138
Energy: 1.3474303954955666
Energy: 1.3583055072308379
Energy: 1.347830503026089
Energy: 0.9563508031503628
Energy: 1.3478305030250797
Energy: 0.9583962337064237
Energy: 1.1397952088409202
Energy: 1.1870300389243538
Energy: 1.1397952088409202
Energy: 1.594362499255353
Energy: 1.1896735837815793
Energy: 0.9523252970048739
Energy: 1.1896735837815793
Energy: 0.9585484429543599
Energy: 1.3477064247413646
Energy: 1.3005327343873583
Energy: 1.3477064247302615
Energy: 0.9294274709506771
Energy: 1.3334298400656686
Energy: 1.0143009225636923
Energy: 1.3334298399032503
Energy: 0.9586933962013323
Energy: 1.1412631799492485
Energy: 1.3519559510711394
Energy: 1.1412631799492485
Energy: 1.6542426758899154
Energy: 1.4041997979672365
Energy: 0.9522515729947655
Energy: 1.4041997979672365
Energy: 0.9551827867163416
Energy: 1.3483027163189167
Energy: 1.258157406267097
Energy: 1.3483027163189167
Energy: 1.618010931979132
Energy: 1.5102370367804963
Energy: 0.9564878627370512
Energy: 1.5102370367804963
Energy: 0.9590224571444372
Energy: 1.1401480004205535
Energy: 0.9240476792237455
Energy: 1.1401480004185347
Energy: 1.2064236997074718
Energy: 1.5201768886772575
Energy: 0.9573959548882222
Energy: 1.520176888676248
Energy: 0.9550349591147719
Energy: 1.190747299154866
Energy: 0.9420125696801346
Energy: 1.1907472991589034
Energy: 1.1612133645930414
Energy: 1.3486940497106708
Energy: 0.9563358844501139
Energy: 1.3486940497096616
Energy: 1.0200128773520767
Energy: 1.332040573129803
Energy: 0.9309001116436576
Energy: 1.3320405731287936
Energy: 1.3320323079857583
Energy: 1.4966055300429126
Energy: 0.9568354515209239
Energy: 1.4966055300419032
Energy: 0.9583995346241176
Energy: 1.4015323835179632
Energy: 0.9351765485712142
Energy: 1.4015323835149351
Energy: 0.9503187267416021
Energy: 1.3478268046840953
Energy: 0.9563372724269654
Energy: 1.3478268046830861
Energy: 0.9587594007719812
Energy: 1.4770871434821211
Energy: 1.2139795018371957
Energy: 1.4770871434629427
Energy: 0.9240193421645362
Energy: 1.496529281648557
Energy: 0.9568147572326787
Energy: 1.496529281648557
Energy: 0.9568765434621953
Energy: 1.513021938848417
Energy: 1.206694508180453
Energy: 1.513021938848417
Energy: 0.9292747409681329
Energy: 1.1904126287550263
Energy: 0.9499533150052638
Energy: 1.1904126287550263

minimum gb energy = 0.9240193421645362 eV
minimum distance =  2.1961137874108 Angstroms
sigma value = 41


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

Energy: 1.1964501191106969
Energy: 1.2002243254668652
Energy: 1.2966404959906714
Energy: 1.2002243254685203
Energy: 1.241332835411086
Energy: 1.1826887959721828
Energy: 0.8629575468161564
Energy: 1.1826887959754928
Energy: 0.8913679871411391
Energy: 1.2940959661464624
Energy: 1.5459915618596272
Energy: 1.2940959661472897
Energy: 1.0842214890385111
Energy: 1.183137373422573
Energy: 0.862915718497693
Energy: 1.1831373734250556
Energy: 0.8568011955414863
Energy: 1.2140957971123816
Energy: 0.9340689193737236
Energy: 1.2140957971529305
Energy: 0.9282073568503127
Energy: 1.182727905381685
Energy: 0.8628884040940262
Energy: 1.1827279054809126
Energy: 0.8617530731905644
Energy: 1.1833463958564079
Energy: 1.076740276170378
Energy: 1.1833463958713035
Energy: 1.2954485623769483
Energy: 1.0419603363675736
Energy: 0.8579460211903198
Energy: 1.0419603363684011
Energy: 0.86662289009632
Energy: 1.3864961942469447
Energy: 1.2156842671003067
Energy: 1.3864961942469447
Energy: 1.6234376031075288
Energy: 1.2904566991267703
Energy: 0.892620208913843
Energy: 1.2904566991275976
Energy: 0.861845088264989
Energy: 1.1832826313217277
Energy: 1.3251310103697511
Energy: 1.1832826313217277
Energy: 0.8478989088156424
Energy: 1.1972515976824252
Energy: 1.1932627415191583
Energy: 1.19725159768077
Energy: 0.8664758544541226
Energy: 1.387232649993674
Energy: 1.4076560536895244
Energy: 1.3872326499928465
Energy: 1.5437334023096208
Energy: 1.437857742633728
Energy: 0.8925393941502168
Energy: 1.4378577426345556
Energy: 0.8618765023666802
Energy: 1.1834512823897356
Energy: 1.1954923353542153
Energy: 1.1834512823905632
Energy: 1.5207797779664454
Energy: 1.2232721822665256
Energy: 0.8580315901089803
Energy: 1.2232721822673533
Energy: 0.866586066176581
Energy: 1.387114366185361
Energy: 1.1171205771043806
Energy: 1.3871143661861887
Energy: 1.092078692860789
Energy: 1.444655499556469
Energy: 0.8630063008253841
Energy: 1.444655499556469
Energy: 0.8618035455959777
Energy: 1.0448482533496226
Energy: 0.8433533117133629
Energy: 1.0448482533521053
Energy: 1.0851853798589812
Energy: 1.329723768595779
Energy: 0.8660245586878049
Energy: 1.3297237685916414
Energy: 0.8962476302694675
Energy: 1.3879119952086432
Energy: 0.8559801374431634
Energy: 1.3879119952078152
Energy: 1.3242579546664264
Energy: 1.456919947637048
Energy: 0.8632260243362616
Energy: 1.4569199476378756
Energy: 1.193095635457073
Energy: 1.1942030183267542
Energy: 0.8475751966844102
Energy: 1.1942030183474426
Energy: 1.1940296754300315
Energy: 1.332616134684068
Energy: 0.8660178753672163
Energy: 1.3326161346534493
Energy: 0.8963636671715461
Energy: 1.4373461293000345
Energy: 0.8511142218501094
Energy: 1.4373461292992071
Energy: 1.1728191993027888
Energy: 1.45494421141841
Energy: 0.8631439563163705
Energy: 1.45494421141841
Energy: 0.8618703568434413
Energy: 1.3359508774081956
Energy: 1.0925971456756087
Energy: 1.3359508774081956
Energy: 0.8570482625496658
Energy: 1.335936935017239
Energy: 0.866100993158772
Energy: 1.335936935018894
Energy: 0.8663767608089266
Energy: 1.4476379054974828
Energy: 1.0920089802335307
Energy: 1.4476379054974828
Energy: 0.8432433068122317
Energy: 1.375510653060509
Energy: 0.8678696083209505
Energy: 1.375510653058854
Energy: 0.8618113982561867
Energy: 1.3313110234545515
Energy: 1.0848373477482611
Energy: 1.3313110234545515
Energy: 0.8476067327743386
Energy: 1.3535304514451694
Energy: 0.9020225428414823
Energy: 1.3535304514451694

minimum gb energy = 0.8432433068122317 eV
minimum distance =  2.18143274341875 Angstroms
sigma value = 15


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

Energy: 1.0934934431126249
Energy: 1.320111738541993
Energy: 1.2453260308280558
Energy: 1.3201117385426941
Energy: 1.2522459210612988
Energy: 1.2134921722719707
Energy: 0.8113390662876934
Energy: 1.2134921722719707
Energy: 0.8405976203279769
Energy: 1.185786579685545
Energy: 1.462707676477797
Energy: 1.1857865796834417
Energy: 1.113949110643153
Energy: 1.2023062186353954
Energy: 0.8112536386140587
Energy: 1.2023062186360967
Energy: 0.8074665750994996
Energy: 1.2463061668333655
Energy: 1.2452984552951227
Energy: 1.2463061668340665
Energy: 0.9817478726320348
Energy: 1.2555543530022077
Energy: 0.8112908782106574
Energy: 1.2555543530099191
Energy: 0.810276082914187
Energy: 1.147353307404419
Energy: 0.9821271595166655
Energy: 1.1473533074009141
Energy: 0.8492702198129696
Energy: 1.081278785938083
Energy: 0.8112811773246118
Energy: 1.081278785937382
Energy: 0.8134204659842713
Energy: 1.3306967391828453
Energy: 1.199835243977727
Energy: 1.3306967391828453
Energy: 1.2471939360464412
Energy: 1.199714460717923
Energy: 0.8081098975451106
Energy: 1.1997144665233996
Energy: 0.8104125240165958
Energy: 1.2542039705035204
Energy: 1.2367895855372855
Energy: 1.254203970502819
Energy: 1.4604338519310767
Energy: 1.1354626634291647
Energy: 0.8412979100377492
Energy: 1.1354626634291647
Energy: 0.8135642891909576
Energy: 1.3297316005930293
Energy: 1.3070805709869913
Energy: 1.3297316005937305
Energy: 0.7828557406400662
Energy: 1.3178783594543428
Energy: 1.0918163119187771
Energy: 1.3178783594543428
Energy: 0.8106496176517212
Energy: 1.2531685569714193
Energy: 1.333164096728077
Energy: 1.253168556970718
Energy: 1.458398303252983
Energy: 1.1344172839280326
Energy: 0.8413252802459629
Energy: 1.1344172839287334
Energy: 0.8134260615215403
Energy: 1.3299776368519833
Energy: 1.189633383801814
Energy: 1.3299776368533855
Energy: 1.4400548967058755
Energy: 1.2426611251705948
Energy: 0.8082230824334913
Energy: 1.2426611251712956
Energy: 0.8105036938548645
Energy: 1.2527951826786603
Energy: 1.0770191093437835
Energy: 1.2527951826779593
Energy: 0.9936608252885202
Energy: 1.0946371395828345
Energy: 0.8112541219474646
Energy: 1.0946371395309582
Energy: 0.8134513590128174
Energy: 1.2273910628861266
Energy: 0.9409229855987795
Energy: 1.2273910628847247
Energy: 0.994390177847602
Energy: 1.3256232115797228
Energy: 0.817185053145852
Energy: 1.3256232115797228
Energy: 0.8104290010653789
Energy: 1.2536080092458712
Energy: 0.7787246477430106
Energy: 1.2536080092465725
Energy: 1.2360132975068339
Energy: 1.2442055047543825
Energy: 0.8111404975275669
Energy: 1.2442055047543825
Energy: 0.8435030554435725
Energy: 1.2272198713757316
Energy: 0.7820826351061508
Energy: 1.2272198713764328
Energy: 1.2067160667817975
Energy: 1.32903902852343
Energy: 0.8173855281317005
Energy: 1.32903902852343
Energy: 1.0918062714452703
Energy: 1.3168290071312372
Energy: 0.7827094097780053
Energy: 1.3168290071305364
Energy: 1.3335029121652795
Energy: 1.25684964551652
Energy: 0.8112877447946316
Energy: 1.25684964551652
Energy: 0.8434945297222978
Energy: 1.2710744397161249
Energy: 0.7885671473699847
Energy: 1.2710744397154239
Energy: 1.0684649180397956
Energy: 1.3289331087194776
Energy: 0.8173321320360616
Energy: 1.3289331087187768
Energy: 0.8104193332308139
Energy: 1.3251936265130733
Energy: 0.9947587559856973
Energy: 1.3251936265130733
Energy: 1.0555102169252735
Energy: 1.2054917508387175
Energy: 0.8113990325476617
Energy: 1.2054917508387175
Energy: 0.8135765328564828
Energy: 1.3559055873084984
Energy: 0.9932355831803672
Energy: 1.3559055873084984
Energy: 0.7870767107328714
Energy: 1.2280673575442769
Energy: 0.8170990848823907
Energy: 1.2280673575442769
Energy: 0.7927831570174421
Energy: 1.328780486038077
Energy: 0.9942757247440595
Energy: 1.328780486038778
Energy: 0.7786374042565187
Energy: 1.2073420634106258
Energy: 0.8143404060997698
Energy: 1.2073420634106258
Energy: 0.8135791607802753
Energy: 1.3564213144335906
Energy: 1.2493170344725864
Energy: 1.3564213144335906

minimum gb energy = 0.7786374042565187 eV
minimum distance =  2.24958426380642 Angstroms
sigma value = 85


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

Energy: 1.0402354933275848
Energy: 1.2420144707410368
Energy: 1.5726389111767771
Energy: 1.2420144707404288
Energy: 1.280244192834753
Energy: 1.127138451067985
Energy: 0.7464138360930382
Energy: 1.127138451068593
Energy: 0.9933936624540546
Energy: 0.992855776372426
Energy: 1.36221247884766
Energy: 0.992855776371818
Energy: 1.1650196592022568
Energy: 1.126979697239845
Energy: 0.7465651594727818
Energy: 1.126979697239845
Energy: 0.785566378221926
Energy: 1.0733042123314778
Energy: 1.1818295045558687
Energy: 1.0733042123314778
Energy: 1.0505501534632968
Energy: 1.1276622970240888
Energy: 0.7466472680452013
Energy: 1.1276622970240888
Energy: 0.7425587524439077
Energy: 1.0143026604723615
Energy: 0.8847493367619597
Energy: 1.0143026604729695
Energy: 0.9391948992886032
Energy: 1.1242232160356511
Energy: 0.7466247312576291
Energy: 1.1242232160356511
Energy: 0.7457549520379759
Energy: 0.9749796400598522
Energy: 1.0188315977131994
Energy: 0.9749796400592442
Energy: 0.8277115103186483
Energy: 1.013277371902675
Energy: 0.7434638824681897
Energy: 1.0132773719020671
Energy: 0.7467092580132558
Energy: 1.1276716109805631
Energy: 1.1318355380368945
Energy: 1.127671610981171
Energy: 1.1819626870064766
Energy: 1.1241587380934899
Energy: 0.7863156156192034
Energy: 1.1241587380934899
Energy: 0.7456961061443611
Energy: 1.035061093259299
Energy: 1.261225718696832
Energy: 1.0350610932586912
Energy: 1.3612951790825294
Energy: 0.9937025911853794
Energy: 0.9917220468600617
Energy: 0.9937025911847714
Energy: 0.7489036877735752
Energy: 1.127234417862067
Energy: 1.2974318399831657
Energy: 1.127234417862067
Energy: 0.7062414678327079
Energy: 1.230270309007628
Energy: 1.050271417735377
Energy: 1.230270309007628
Energy: 0.7459061865129233
Energy: 1.034993703287027
Energy: 1.384973063977728
Energy: 1.0349937032876348
Energy: 1.3629859741188513
Energy: 0.9937857579323965
Energy: 0.9919695267592754
Energy: 0.9937857579317885
Energy: 0.7460665267080335
Energy: 1.126987839954082
Energy: 1.1912184001775799
Energy: 1.1269878399546902
Energy: 1.349796108087191
Energy: 1.1601660931396565
Energy: 0.7862801104568753
Energy: 1.1601660931390487
Energy: 0.7456160365820922
Energy: 0.9750304425429351
Energy: 1.0647006280439777
Energy: 0.9750304425447591
Energy: 0.8857503973253638
Energy: 1.0145984899821558
Energy: 0.7434551730640535
Energy: 1.0145984899815481
Energy: 0.7465294827246917
Energy: 1.1246461914500436
Energy: 0.9635677268956415
Energy: 1.1246461914500436
Energy: 0.899068837475153
Energy: 1.148662244021458
Energy: 0.746567767084174
Energy: 1.148662244021458
Energy: 0.7459466167750327
Energy: 0.8888477393147356
Energy: 0.8448501984113983
Energy: 0.8888477393141276
Energy: 1.1301751741811294
Energy: 0.9939691792603979
Energy: 0.7455743582170619
Energy: 0.9939691792603979
Energy: 0.7886200199299769
Energy: 1.124460866645629
Energy: 0.7048923241947685
Energy: 1.124460866645629
Energy: 1.1197648519555672
Energy: 1.254366442037374
Energy: 0.7466237235535337
Energy: 1.254366442037982
Energy: 0.9916186253872517
Energy: 0.9921277626821072
Energy: 0.708133058027093
Energy: 0.9921277626833233
Energy: 1.2972771103908998
Energy: 1.1273932771915711
Energy: 0.7458298751911597
Energy: 1.1273932771915711
Energy: 1.0384288117597338
Energy: 1.228796913263048
Energy: 0.7078226157235951
Energy: 1.228796913263656
Energy: 1.2177448333968819
Energy: 1.2542713588286998
Energy: 0.7466843386775763
Energy: 1.2542713588293077
Energy: 0.9915095008789144
Energy: 0.9919136534236231
Energy: 0.7108354679084643
Energy: 0.9919136534230153
Energy: 1.191691765186781
Energy: 1.1243899376473063
Energy: 0.747138058710041
Energy: 1.1243899376454822
Energy: 0.7887479203447653
Energy: 1.1592449497686905
Energy: 0.8924477295578774
Energy: 1.1592449497686905
Energy: 0.9596550491663535
Energy: 1.252723427849823
Energy: 0.746681703760708
Energy: 1.252723427849823
Energy: 0.7459544909280424
Energy: 1.0131953422397741
Energy: 0.8926495824497632
Energy: 1.0131953422397741
Energy: 0.9441526406707056
Energy: 1.124497122696518
Energy: 0.7472497563335443
Energy: 1.1244971226977338
Energy: 0.7465790038794384
Energy: 1.2516429899622916
Energy: 0.8986789236633799
Energy: 1.2516429899622916
Energy: 0.7153264663357645
Energy: 1.1729868116331363
Energy: 0.7425247166348558
Energy: 1.1729868116331363
Energy: 0.7455059581595581
Energy: 0.991527368239718
Energy: 1.1308998219000412
Energy: 0.991527368239718
Energy: 0.7046812667342431
Energy: 1.1242171918292156
Energy: 0.7856061923604466
Energy: 1.1242171918292156
Energy: 0.746241346317461
Energy: 1.25195814493934
Energy: 1.1268655853859877
Energy: 1.2519581449399477

minimum gb energy = 0.7046812667342431 eV
minimum distance =  2.2509050011465 Angstroms
sigma value = 113


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

Energy: 0.020519438507357775
Energy: 0.021525739248252854
Energy: 2.2285682109799416
Energy: 0.021525739248252854
Energy: 1.039641217143043
Energy: 0.4364016545787118
Energy: 0.43613180424224074
Energy: 0.4364016545787118
Energy: 0.020519438507357775
Energy: 0.021525739248252854
Energy: 1.0401478023553492
Energy: 0.021525739247785457
Energy: 1.0396412171425755
Energy: 0.4364016545787118
Energy: 0.43613180424224074
Energy: 0.4364016545791272
Energy: 0.020519438507357775
Energy: 0.021525739248252854
Energy: 1.0401492149034337
Energy: 0.021525739248252854
Energy: 1.0396412171425755
Energy: 0.4364016545787118
Energy: 0.4361318042427081
Energy: 0.4364016545791272

minimum gb energy = 0.020519438507357775 eV
minimum distance =  2.48473721220119 Angstroms
sigma value = 1