Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ni__MO_381861218831_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5226424932479863
cohesive_energy=4.240930290808195
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.02511922184332e-19, 2.80106938745586e-19, 3.3932979584476197e-19, 3.8767227142244395e-19, 4.2848451682032596e-19, 4.63586604694632e-19, 4.941481239881819e-19, 5.20942926015198e-19, 5.445590096003579e-19, 5.65409736315234e-19, 5.8382675672306395e-19, 6.00084043028262e-19, 6.1438667383998e-19, 6.26912490764592e-19, 6.378361310552039e-19, 6.472697470761959e-19, 6.55312673778876e-19, 6.620610417612839e-19, 6.675965620317539e-19, 6.7199293471545e-19, 6.75315849054366e-19, 6.77622983407326e-19, 6.789752204864219e-19, 6.794190234140399e-19, 6.78939972600474e-19, 6.77393872148664e-19, 6.74582052155994e-19, 6.702770035404359e-19, 6.641983453910399e-19, 6.560080184380319e-19, 6.453134894060819e-19, 6.316212878919179e-19, 6.14319382421352e-19, 5.92675578272646e-19, 5.65763817351348e-19, 5.32436941187514e-19, 4.91273819106786e-19, 4.40401506624018e-19, 3.77458395380694e-19, 2.993667040629e-19, 2.0207773231651798e-19, 8.016618962349719e-20, -7.37084564824968e-20, -2.69723231980632e-19, -5.22184612906548e-19, -8.518180357623419e-19, -1.2893228070320878e-18, -1.88206087019346e-18, -2.7055956818357997e-18, -3.88643190462648e-18, -5.650027834501979e-18, -8.43002859922074e-18]
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: 0.017224303227977134
Energy: 0.01762610270151587
Energy: 0.017656959019481406
Energy: 0.01768804779960504
Energy: 1.0055538850177355
Energy: 0.017622656421170224
Energy: 0.017626102701846138
Energy: 0.19360119905483467
Energy: 0.19320537158453557
Energy: 0.19351100008167554
Energy: 0.19344414409190724
Energy: 0.19392438445335425
Energy: 0.017656959020802478
Energy: 0.19320537158391174
Energy: 0.19390286786946964
Energy: 0.017414876179731302
Energy: 0.19332694777065282
Energy: 0.19348394332583854
Energy: 0.017688047798650935
Energy: 0.19351100008329017
Energy: 0.017414876181015677
Energy: 0.017701460322179705
Energy: 0.19345146686322268
Energy: 0.01768174054312087
Energy: 1.0055538850180656
Energy: 0.1934441440925678
Energy: 0.19332694776933176
Energy: 0.19345146686160802
Energy: 0.19310856095002663
Energy: 0.19332038373175126
Energy: 0.017622656419225315
Energy: 0.19392438445078555
Energy: 0.19348394332550825
Energy: 0.017681740541212656
Energy: 0.19332038373013663
Energy: 0.017454531285647126

minimum gb energy = 0.017224303227977134 eV
minimum distance =  2.48908828566189 Angstroms
sigma value = 1


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

Energy: 2.792001252941306
Energy: 1.414707035726568
Energy: 1.422692131481501
Energy: 1.553053937723515
Energy: 1.4134879774588733
Energy: 1.4321050643881148
Energy: 2.486805746290739
Energy: 1.443356760719325
Energy: 1.4438166619992467
Energy: 1.4328353082940577
Energy: 1.4484411005860236
Energy: 1.441635486873846
Energy: 2.2545584060564607
Energy: 1.4495505062169283
Energy: 1.4436829800490603
Energy: 1.5016226991992578
Energy: 1.4504126170427791
Energy: 1.4436440284419516
Energy: 2.6468756895317282
Energy: 1.453652820915263
Energy: 1.503132757325121
Energy: 1.507274204495384
Energy: 1.4208474042312542
Energy: 1.5049016430280193
Energy: 2.4123683253116392
Energy: 1.4480588428428998
Energy: 1.4447916856532734
Energy: 1.4375777607872042
Energy: 1.451932914154963
Energy: 1.443697619072034
Energy: 2.381165014130546
Energy: 1.4454049555820503
Energy: 1.4987122677594087
Energy: 1.4951648095871295
Energy: 1.4461672556434508
Energy: 1.501269622066333
Energy: 2.3712544045559207
Energy: 1.4952989562248185
Energy: 1.4948335968216888
Energy: 1.4999784035557853
Energy: 1.506155979092902
Energy: 1.4970621851571415
Energy: 2.211176086413407
Energy: 1.4982180161837886
Energy: 1.499625382079751
Energy: 1.4434045975982555
Energy: 1.4980951424388045
Energy: 1.4944629642524507
Energy: 1.9329070902775194
Energy: 1.5011549013619774
Energy: 1.5032875897857672
Energy: 1.4462377656319279
Energy: 1.494690401106026
Energy: 1.5036516252266237
Energy: 1.9299357612606909
Energy: 1.4419529287672148
Energy: 1.4448726017311446
Energy: 1.450640999629925
Energy: 1.4414425520169305
Energy: 1.4458099715798998
Energy: 1.7877102665543019
Energy: 1.4999089654275346
Energy: 1.499498447584359
Energy: 1.4201511210759714
Energy: 1.4990246724839689
Energy: 1.481086143855522
Energy: 1.6211437944350797
Energy: 1.442092789625013
Energy: 1.441964013503467
Energy: 1.450528654546563
Energy: 1.4983297737206436
Energy: 1.4430188321948663
Energy: 1.621001323865604
Energy: 1.434148341964064
Energy: 1.4411056383210425
Energy: 1.4439849158316806
Energy: 1.4400621294706648
Energy: 1.4415806116353223
Energy: 1.7417700155373845
Energy: 1.4546160815903262
Energy: 1.4552301956392204
Energy: 1.451783326174
Energy: 1.4532119040144778
Energy: 1.452445170454889
Energy: 1.7119046970844447
Energy: 1.4446669594558046
Energy: 1.4435279922660285
Energy: 1.4479147113855404
Energy: 1.433184502191569
Energy: 1.444046100436768
Energy: 1.7124826825806345
Energy: 1.5031562932092268
Energy: 1.5037534286535728
Energy: 1.4472848604400859
Energy: 1.50283842391057
Energy: 1.5051741681540478
Energy: 2.2154285751644216
Energy: 1.491890792777632
Energy: 1.4917649181482138
Energy: 1.4536391060631775
Energy: 1.4918786302611777
Energy: 1.4984610913064766
Energy: 2.167254260235207
Energy: 1.5049292566279693
Energy: 1.5051088810457847
Energy: 1.5035811796074725
Energy: 1.4980433691027162
Energy: 1.5051231344093723
Energy: 2.1660463690387037
Energy: 1.5038741254876629
Energy: 1.5049659755601137
Energy: 1.4985845242927782
Energy: 1.5036672938840332
Energy: 1.5043333805334447
Energy: 2.2548431041580574
Energy: 1.5044813990892485
Energy: 1.5053398326978962
Energy: 1.5019396499897846
Energy: 1.4979715511330534
Energy: 1.5040988208823545
Energy: 2.4742241256281057
Energy: 1.504649510501796
Energy: 1.500571681438109
Energy: 1.49580173416428
Energy: 1.4724621010862358
Energy: 1.4996659366817455
Energy: 1.2862667975663031
Energy: 1.4991233034684683
Energy: 1.4995027749047314
Energy: 1.4988466331094468
Energy: 1.4482257052009717
Energy: 1.5042127280460502
Energy: 2.4857781348003303
Energy: 1.4433033951346035
Energy: 1.4425729191124588
Energy: 1.381343879536441
Energy: 1.449319204124052
Energy: 1.4413575279345097

minimum gb energy = 1.2862667975663031 eV
minimum distance =  2.31736048131506 Angstroms
sigma value = 33


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

Energy: 3.452966912006665
Energy: 1.7530921408667828
Energy: 1.5882086716482133
Energy: 1.5589917235264663
Energy: 1.5711136329424213
Energy: 1.7400033893205071
Energy: 2.2950643031086013
Energy: 1.5715667375640343
Energy: 1.5331956539716756
Energy: 1.5373188994665028
Energy: 1.6145120985855956
Energy: 1.5335206356984088
Energy: 2.40191820393571
Energy: 1.5828610791849864
Energy: 1.5825298035999504
Energy: 1.6728177921196556
Energy: 1.5752378841960637
Energy: 1.6181419732839644
Energy: 2.627223180455226
Energy: 1.5988780179243367
Energy: 1.5402757030437022
Energy: 1.687213735328849
Energy: 1.5987668891861244
Energy: 1.6886479478914667
Energy: 2.3442417731770973
Energy: 1.5339236184932499
Energy: 1.5351906168760783
Energy: 1.5643804460353037
Energy: 1.530060920624619
Energy: 1.5372806784915996
Energy: 2.6058101399130797
Energy: 1.5307980491806905
Energy: 1.5248883947462986
Energy: 1.52279592430195
Energy: 1.5664726112465528
Energy: 1.5395825992074605
Energy: 2.6058852225798885
Energy: 1.537911355874097
Energy: 1.5240415699827663
Energy: 1.5233595089043277
Energy: 1.5566671276529789
Energy: 1.5387694511732641
Energy: 1.724419190448508
Energy: 1.6823713261553694
Energy: 1.6824850258856774
Energy: 1.5684191632027287
Energy: 1.6816263852168285
Energy: 1.6803280293019935
Energy: 2.107929601518797
Energy: 1.675225353000033
Energy: 1.7412630195442105
Energy: 1.7696617109601955
Energy: 1.669660264145403
Energy: 1.524943727278295
Energy: 2.096593789840177
Energy: 1.7418995983123813
Energy: 1.7446763770896445
Energy: 1.7402333395900826
Energy: 1.7449263466378884
Energy: 1.7453054172715896
Energy: 2.0102257619629
Energy: 1.6555722204859757
Energy: 1.6575469214023248
Energy: 1.6025637626732785
Energy: 1.619662366506534
Energy: 1.6503978662098402
Energy: 1.8915542079206948
Energy: 1.6600464834749256
Energy: 1.746128268313846
Energy: 1.7788641346826708
Energy: 1.6670462755402453
Energy: 1.744708097934578
Energy: 1.892895792094274
Energy: 1.754185410893894
Energy: 1.7566770102032108
Energy: 1.751036715941587
Energy: 1.7546863105406993
Energy: 1.7721001504199354
Energy: 2.018580754184082
Energy: 1.681275939659227
Energy: 1.684688493100396
Energy: 1.7640232134606495
Energy: 1.6829015672096295
Energy: 1.6376934233066895
Energy: 2.0283214882593215
Energy: 1.753662795423303
Energy: 1.753875741304896
Energy: 1.7711490753585788
Energy: 1.723099638204459
Energy: 1.7597612535390326
Energy: 2.0279218763505313
Energy: 1.746231304193332
Energy: 1.7415894821809152
Energy: 1.7659488358350608
Energy: 1.7450178549000792
Energy: 1.7848890427853712
Energy: 2.4124017055401117
Energy: 1.7450441078334047
Energy: 1.7436555479520428
Energy: 1.763132725732622
Energy: 1.7428227320181262
Energy: 1.7425518427903202
Energy: 2.3320841128656986
Energy: 1.7285343999364502
Energy: 1.7482849497522797
Energy: 1.6830238652396716
Energy: 1.7154623114716419
Energy: 1.6833489290650168
Energy: 2.332427402848018
Energy: 1.7476711097342246
Energy: 1.7508200172498611
Energy: 1.6695856090952648
Energy: 1.7488110269616228
Energy: 1.7408117774032017
Energy: 2.3505247885345812
Energy: 1.7305292514464692
Energy: 1.7306875384206486
Energy: 1.7083525465328895
Energy: 1.7282375953650704
Energy: 1.7280813193742774
Energy: 2.7484817970281945
Energy: 1.7512454330771747
Energy: 1.5685712936664111
Energy: 1.5819888218980733
Energy: 1.7573704260013603
Energy: 1.5658629606944348
Energy: 2.1564040383127296
Energy: 1.7361814103388846
Energy: 1.7319759742604766
Energy: 1.5814262947667073
Energy: 1.767963105650807
Energy: 1.7305831466629578
Energy: 2.352319142008171
Energy: 1.7472168108498658
Energy: 1.7473344165241422
Energy: 1.7405244003694211
Energy: 1.7521912897816179
Energy: 1.7476376604590333
Energy: 2.6259573220632983
Energy: 1.774385522840844
Energy: 1.7702439283891678
Energy: 1.6529076716967288
Energy: 1.7600243874856554
Energy: 1.6871841516037303
Energy: 2.3577579651534095
Energy: 1.7449943653873867
Energy: 1.7440837769527606
Energy: 1.740748319588532
Energy: 1.7536291218615243
Energy: 1.7423398118749411
Energy: 2.3751375223407694
Energy: 1.6956915081805835
Energy: 1.7464291218723869
Energy: 1.7895432822008752
Energy: 1.789695316758375
Energy: 1.7928361633742154
Energy: 2.5843279845469573
Energy: 1.6696145738871544
Energy: 1.7613634672683416
Energy: 1.7459812813193094
Energy: 1.710264175307027
Energy: 1.761814173254911
Energy: 2.3748140947174976
Energy: 1.6830970616412857
Energy: 1.6839572246237444
Energy: 1.7959881886550662
Energy: 1.6743795506194614
Energy: 1.7597684829042035
Energy: 2.143570002958176
Energy: 1.6825831337527535
Energy: 1.6832464959190572
Energy: 1.7325225458147964
Energy: 1.6823047565173987
Energy: 1.7300793053224932
Energy: 2.152471527771213
Energy: 1.7415903979299128
Energy: 1.740517760785545
Energy: 1.7641913385052392
Energy: 1.539999474821403
Energy: 1.7468872162686342
Energy: 2.2613705046424952
Energy: 1.653751616464245
Energy: 1.6549430690719424
Energy: 1.769321349639801
Energy: 1.6645200677163794
Energy: 1.649624364918165
Energy: 1.8405271002607342
Energy: 1.6526769691943792
Energy: 1.6603744362864612
Energy: 1.7916823779123552
Energy: 1.6668084267100027
Energy: 1.742889556315082
Energy: 1.8406153784363766
Energy: 1.5392024200323746
Energy: 1.7373774667739086
Energy: 1.763827088705771
Energy: 1.7384659036915864
Energy: 1.5399220649886725
Energy: 1.8403700408830965
Energy: 1.6834613204988391
Energy: 1.6777360927221874
Energy: 1.803730997272836
Energy: 1.681535486302815
Energy: 1.6767539207147184
Energy: 2.0615852076051593
Energy: 1.7388579627701748
Energy: 1.5372314995468084
Energy: 1.5467835592555892
Energy: 1.5404781059602228
Energy: 1.7386788263625421
Energy: 2.04936578951763
Energy: 1.560776526301569
Energy: 1.5677016831659223
Energy: 1.5905809217481301
Energy: 1.591353841117261
Energy: 1.5601849970159882
Energy: 2.048847740734395
Energy: 1.5820866020191853
Energy: 1.5598796317809391
Energy: 1.479569642776236
Energy: 1.5592988173636468
Energy: 1.5832685026626723
Energy: 2.3332347108745677
Energy: 1.592849498757894
Energy: 1.6156426172177178
Energy: 1.6688872972264528
Energy: 1.5937247798006566
Energy: 1.5909374485859877
Energy: 2.332735931679116
Energy: 1.5991014268378503
Energy: 1.6169195726976664
Energy: 1.682343970110405
Energy: 1.6046272889203261
Energy: 1.6830108865035727
Energy: 2.344018539241699
Energy: 1.582091216099039
Energy: 1.581850699090242
Energy: 1.537859434905448
Energy: 1.5834694950282555
Energy: 1.5370986223059104
Energy: 2.7043429273614135
Energy: 1.525470045196448
Energy: 1.559102542373806
Energy: 1.5622892872322156
Energy: 1.555949169196703
Energy: 1.644954675365636

minimum gb energy = 1.479569642776236 eV
minimum distance =  2.16849348050135 Angstroms
sigma value = 51


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

Energy: 2.868195902267062
Energy: 1.6410199756020583
Energy: 1.6440825295840977
Energy: 1.4909552456853672
Energy: 1.6394656148531084
Energy: 1.4905062372497055
Energy: 2.4701113510794226
Energy: 1.6090418848151493
Energy: 1.601670129348757
Energy: 1.5221025985601424
Energy: 1.5958085326738793
Energy: 1.5200727979907782
Energy: 2.501170387868695
Energy: 1.5967594803346428
Energy: 1.5955298363508692
Energy: 1.5202166966284982
Energy: 1.597929887144798
Energy: 1.5939946866753434
Energy: 2.500218228415749
Energy: 1.5972397831052116
Energy: 1.6025459096634909
Energy: 1.5189109563907206
Energy: 1.6023078812511793
Energy: 1.5101336769614502
Energy: 1.521278735327703
Energy: 1.5194690999386602
Energy: 1.5190163684199058
Energy: 1.5236342496316326
Energy: 1.5195693641393389
Energy: 1.5196871440373336
Energy: 2.144963527696448
Energy: 1.5189736040003086
Energy: 1.51953747454689
Energy: 1.5205102577368903
Energy: 1.5198418001678018
Energy: 1.5199145695924152
Energy: 2.144874617400123
Energy: 1.5214202976068911
Energy: 1.5201205598884915
Energy: 1.5206504547288215
Energy: 1.5233098500960687
Energy: 1.5198397420963203
Energy: 2.0157627303288153
Energy: 1.4689185000178824
Energy: 1.4691303991163074
Energy: 1.714153370333656
Energy: 1.6653040120310703
Energy: 1.6754498576756056
Energy: 1.7123306079550924
Energy: 1.6289184321535704
Energy: 1.6334810166398088
Energy: 1.6057639903484477
Energy: 1.5716479780321322
Energy: 1.5961426160376984
Energy: 1.7115697916271886
Energy: 1.5194633205330168
Energy: 1.518745921155628
Energy: 1.5955668065954003
Energy: 1.5228290283960733
Energy: 1.6023161592152204
Energy: 1.7119600397357946
Energy: 1.566751372400974
Energy: 1.550674537385622
Energy: 1.51371203377856
Energy: 1.5184585924950527
Energy: 1.5501813118558765
Energy: 1.8377155689577578
Energy: 1.5196513597586396
Energy: 1.5203111313553286
Energy: 1.5246021459305055
Energy: 1.5121117512320914
Energy: 1.5196962822363997
Energy: 1.8361924816482253
Energy: 1.6811612934719804
Energy: 1.6009853501329683
Energy: 1.5962659914171873
Energy: 1.674374154098627
Energy: 1.6010539172056462
Energy: 1.837491294022708
Energy: 1.5155670022906897
Energy: 1.5218331889777001
Energy: 1.568640691937993
Energy: 1.5224172415429207
Energy: 1.521420468639322
Energy: 2.302201401312742
Energy: 1.5971665741226284
Energy: 1.5977500751510427
Energy: 1.4956904175733816
Energy: 1.5982357463101307
Energy: 1.5979130880650985
Energy: 2.3023851252221643
Energy: 1.5973051732173198
Energy: 1.6040070006525666
Energy: 1.499589261667641
Energy: 1.5969040505517347
Energy: 1.4817484834324974
Energy: 1.5204997005138188
Energy: 1.596831818030565
Energy: 1.6037804616510456
Energy: 1.523098391776731
Energy: 1.597258824407802
Energy: 1.5999251841568627
Energy: 2.6991074756681734
Energy: 1.6088308255888824
Energy: 1.5002482422968362
Energy: 1.4690275227277592
Energy: 1.6084840135212501
Energy: 1.498342266656893

minimum gb energy = 1.4689185000178824 eV
minimum distance =  2.3270489883638 Angstroms
sigma value = 19


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

Energy: 2.445698131038378
Energy: 1.6799998817683286
Energy: 1.6796411348233902
Energy: 1.7631506242686188
Energy: 1.636982548218322
Energy: 1.6795531989242802
Energy: 2.1491811506305694
Energy: 1.6371782193869293
Energy: 1.6373676286348489
Energy: 1.6851013634772056
Energy: 1.6372331544810943
Energy: 1.6369374479469545
Energy: 2.506184657735813
Energy: 1.6372537723505356
Energy: 1.6379430259196386
Energy: 1.7089614371276105
Energy: 1.6374409365127154
Energy: 1.6397233800627733
Energy: 2.008520029457429
Energy: 1.636490471841267
Energy: 1.6363655891708548
Energy: 1.6874637753529995
Energy: 1.637323871166293
Energy: 1.636606084767075
Energy: 2.0182998509691363
Energy: 1.6365340086951872
Energy: 1.6850746377947048
Energy: 1.6854882169877328
Energy: 1.6365780908662502
Energy: 1.685733669795044
Energy: 2.016843781621195
Energy: 1.5966028416860432
Energy: 1.6835144167975966
Energy: 1.6854774612329189
Energy: 1.5962607690867356
Energy: 1.6848317250927625
Energy: 2.019055672760609
Energy: 1.6114948227466004
Energy: 1.684524608240365
Energy: 1.6847654459059882
Energy: 1.610821722678229
Energy: 1.6850954530483335
Energy: 1.8285129697618367
Energy: 1.5972880776599059
Energy: 1.596638735960485
Energy: 1.6372261937364077
Energy: 1.5984389951664193
Energy: 1.5978698120375057
Energy: 1.6370694877808893
Energy: 1.5983637266862578
Energy: 1.5972669722860349
Energy: 1.6369560019903089
Energy: 1.5967805513434408
Energy: 1.596678562287004
Energy: 1.6363407541061654
Energy: 1.6854915503291945
Energy: 1.6367482889163778
Energy: 1.6368041102851525
Energy: 1.6836989820458352
Energy: 1.6375811236850244
Energy: 1.6354798715027614
Energy: 1.6927471066951418
Energy: 1.6928207409638991
Energy: 1.636484690363221
Energy: 1.6927239003703154
Energy: 1.637261859992133
Energy: 1.828865921320664
Energy: 1.6839511603806603
Energy: 1.683673312115294
Energy: 1.637112041552849
Energy: 1.7069835938680558
Energy: 1.6371797222540567
Energy: 1.5966639905993856
Energy: 1.6841196955111517
Energy: 1.6845906505326842
Energy: 1.5969444754694169
Energy: 1.6851088987634322
Energy: 1.6860637179975642
Energy: 1.829434824577917
Energy: 1.6851300129030689
Energy: 1.684939213021056
Energy: 1.6109538262008292
Energy: 1.6889078059320997
Energy: 1.6854324830871747
Energy: 2.408712315629557
Energy: 1.6373783425002115
Energy: 1.6380172729797906
Energy: 1.5974811618932043
Energy: 1.6370726482408315
Energy: 1.596808261290065
Energy: 2.40869352889977
Energy: 1.6102429421123632
Energy: 1.597935619449323
Energy: 1.5998917964176584
Energy: 1.638680910739858
Energy: 1.5966852837654812
Energy: 2.018762706064842
Energy: 1.6380083128101777
Energy: 1.6375282906711515
Energy: 1.685157335010816
Energy: 1.6365883526636114
Energy: 1.636714189390996
Energy: 2.0090515572760257
Energy: 1.6382872082716848
Energy: 1.6368886371668017
Energy: 1.686761907257765
Energy: 1.6370124398776742
Energy: 1.611023505310679
Energy: 2.010179774165829
Energy: 1.6378674860497082
Energy: 1.6371558614428223
Energy: 1.6865068708426671
Energy: 1.6375754522608608
Energy: 1.6372378242692667
Energy: 2.018088448425285
Energy: 1.5963834231139415
Energy: 1.6841729278008606
Energy: 1.6850837422059957
Energy: 1.5961255404847166
Energy: 1.683283027297379
Energy: 2.016530102827822
Energy: 1.6373274764547345
Energy: 1.6849913938134378
Energy: 1.6850501274809409
Energy: 1.636992450192967
Energy: 1.6848620949279467
Energy: 2.0175640906986585
Energy: 1.6848533841656375
Energy: 1.6837388978837617
Energy: 1.6363356860323681
Energy: 1.6113598761916663
Energy: 1.683933540953147
Energy: 1.8292230435641261
Energy: 1.5963060433876604
Energy: 1.5978267373914665
Energy: 1.6372181442614442
Energy: 1.5966665568350145
Energy: 1.5969275268696579
Energy: 1.6367969701083507
Energy: 1.6380574617530153
Energy: 1.6369413915570943
Energy: 1.6371892112472894
Energy: 1.6618176222545005
Energy: 1.636903648415166
Energy: 1.637149096683378
Energy: 1.684566818141401
Energy: 1.6384381026966983
Energy: 1.6372324190993808
Energy: 1.709157803297963
Energy: 1.6379323399990235
Energy: 1.610652476796632
Energy: 1.6876688697147053
Energy: 1.6873550532047403
Energy: 1.6365368496800365
Energy: 1.6880416738336332
Energy: 1.6369824793265084
Energy: 2.0177472595070785
Energy: 1.6847579984607235
Energy: 1.6839462221204975
Energy: 1.6369312289059572
Energy: 1.6847077453134787
Energy: 1.6858865530963694
Energy: 1.5959938098965591
Energy: 1.6843990962285376
Energy: 1.687030311404926
Energy: 1.5960259997984543
Energy: 1.6849552355968114
Energy: 1.6827347733181461
Energy: 1.8296097818163517
Energy: 1.684402559587394
Energy: 1.6854579657765154
Energy: 1.6110509337736438
Energy: 1.684607238989808
Energy: 1.683594127959147
Energy: 2.406166270614157
Energy: 1.6100308516111819
Energy: 1.597524563817886
Energy: 1.597125180016746
Energy: 1.637642442209306
Energy: 1.5986103357384938

minimum gb energy = 1.5959938098965591 eV
minimum distance =  2.31598101194579 Angstroms
sigma value = 27


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

Energy: 2.014970819476015
Energy: 1.315208879435838
Energy: 1.3172791719152537
Energy: 1.4602052844960935
Energy: 1.378735436976518
Energy: 1.314557449929524
Energy: 1.6662911712350674
Energy: 1.3785603479424264
Energy: 1.3786143587539725
Energy: 1.379060243227659
Energy: 1.3794535698037202
Energy: 1.379427354143137
Energy: 1.771239881725286
Energy: 1.4566584767419912
Energy: 1.4579774066403508
Energy: 1.3794584034145363
Energy: 1.3783132469889396
Energy: 1.3793550035417124
Energy: 1.6656655110553453
Energy: 1.44160223439976
Energy: 1.3788042822690147
Energy: 1.3789300649558571
Energy: 1.3792572113536612
Energy: 1.37879097889533
Energy: 1.9017795228342533
Energy: 1.3154980973458852
Energy: 1.3790240845674535
Energy: 1.378623345009954
Energy: 1.3152803753977633
Energy: 1.3812953668866879
Energy: 1.6152623537498143
Energy: 1.4758875355210326
Energy: 1.411984164186401
Energy: 1.6138313611670938
Energy: 1.4752132814133054
Energy: 1.3146897033720106
Energy: 1.6156788241765807
Energy: 1.4208232623203525
Energy: 1.3806435363847527
Energy: 1.380825224958769
Energy: 1.418211185322666
Energy: 1.3797804492504977
Energy: 1.6941963426499818
Energy: 1.410677380337863
Energy: 1.412182186063311
Energy: 1.4590552610872256
Energy: 1.4102174712048081
Energy: 1.3774747768337143
Energy: 1.771610738524832
Energy: 1.3779239121760978
Energy: 1.4233713053217307
Energy: 1.3794054255344486
Energy: 1.377211268670962
Energy: 1.4245730372716663
Energy: 1.772081684110153
Energy: 1.4286644607877372
Energy: 1.3798137622874798
Energy: 1.4578308872694283
Energy: 1.4302978458071036
Energy: 1.3806244049993956
Energy: 1.7722080742529724
Energy: 1.5016183497837954
Energy: 1.5014285343240226
Energy: 1.3826347504740424
Energy: 1.5066306042689832
Energy: 1.421407919175965
Energy: 1.771841209970255
Energy: 1.3791334042257855
Energy: 1.3786320937279606
Energy: 1.379036244830246
Energy: 1.3796730717347037
Energy: 1.37919289156407

minimum gb energy = 1.314557449929524 eV
minimum distance =  2.34959596543426 Angstroms
sigma value = 9


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

Energy: 1.9321446585274396
Energy: 1.314044370692749
Energy: 1.2667133522014635
Energy: 1.3039668742261217
Energy: 1.3147642933238237
Energy: 1.3072354962094723
Energy: 1.3299511761604315
Energy: 1.2867434043424135
Energy: 1.2700982924515265
Energy: 1.2695577684053647
Energy: 1.2762927380931723
Energy: 1.2695991138217593
Energy: 1.4751034845057063
Energy: 1.2734452529729168
Energy: 1.275765609105091
Energy: 1.2994412215422377
Energy: 1.2731492190430973
Energy: 1.2777815740425162
Energy: 1.477363014028581
Energy: 1.2771786226593627
Energy: 1.2783221459628915
Energy: 1.3024155341368784
Energy: 1.2756688127765998
Energy: 1.2768161596138974
Energy: 1.308700507520738
Energy: 1.2983639196412124
Energy: 1.2656715886308159
Energy: 1.2867527187103796
Energy: 1.2717766256957086
Energy: 1.2963989450860676
Energy: 1.38911224351396
Energy: 1.2780095653345078
Energy: 1.2705327326827336
Energy: 1.2846174229874743
Energy: 1.2706169027018595
Energy: 1.2694385875033611
Energy: 1.3918822107352549
Energy: 1.2797636318722978
Energy: 1.2765245142953505
Energy: 1.3312969220979387
Energy: 1.2776412435665003
Energy: 1.276383378962478
Energy: 1.4186896183280806
Energy: 1.2695014320786955
Energy: 1.2766803977062815
Energy: 1.2830771424545673
Energy: 1.2633890818861941
Energy: 1.277121955786335
Energy: 1.3463561830743265
Energy: 1.3008197299882525
Energy: 1.276337418114157
Energy: 1.2743195943491212
Energy: 1.2753824575613322
Energy: 1.277115440289709
Energy: 1.3298538646834632
Energy: 1.2769403710578247
Energy: 1.2767146071406872
Energy: 1.2756831694515118
Energy: 1.278532822872612
Energy: 1.2765349528860228
Energy: 1.3298701771671293
Energy: 1.278736040692169
Energy: 1.2807728247700132
Energy: 1.265564858467848
Energy: 1.2753747435670535
Energy: 1.3010390465300383
Energy: 1.6387199675231712
Energy: 1.3042004403539518
Energy: 1.294231577589442
Energy: 1.276475624632203
Energy: 1.3277622958193371
Energy: 1.3017729204451391
Energy: 1.2505640829920988
Energy: 1.2852124822277415
Energy: 1.2835474987481168
Energy: 1.2977899724895259
Energy: 1.2800056734683698
Energy: 1.2746386558064675
Energy: 1.63847191755707
Energy: 1.2941766088244389
Energy: 1.2956120194863416
Energy: 1.2766609125218402
Energy: 1.300153478727388
Energy: 1.30209065846248
Energy: 1.3725632674561137
Energy: 1.241180255996748
Energy: 1.2395672125962574
Energy: 1.2748260883369924
Energy: 1.2424790740912552
Energy: 1.2852529207492795
Energy: 1.3728913616400702
Energy: 1.2632333642322635
Energy: 1.2870540793246499
Energy: 1.2745028940076506
Energy: 1.268991065235405
Energy: 1.2977825963307452
Energy: 1.371355045414462
Energy: 1.2748933575368626
Energy: 1.2826802030664195
Energy: 1.2760835548217706
Energy: 1.2702627503602806
Energy: 1.2830226821274255
Energy: 1.492320108941752
Energy: 1.2977252402260115
Energy: 1.2828409828432445
Energy: 1.2865051305135418
Energy: 1.2841652142029267
Energy: 1.2831802998831907
Energy: 1.4760627889871947
Energy: 1.2631470625112733
Energy: 1.2657610641275052
Energy: 1.2992008375007684
Energy: 1.2650086751059524
Energy: 1.2672917079931865
Energy: 1.4735485860938942
Energy: 1.2591897371513407
Energy: 1.2579524562897775
Energy: 1.2631180065909813
Energy: 1.262016713478186
Energy: 1.243661532533577
Energy: 1.4765199198908645
Energy: 1.289700305082178
Energy: 1.285800939271855
Energy: 1.2940179493120971
Energy: 1.297292467382335
Energy: 1.2634411464106585
Energy: 1.5411780255419545
Energy: 1.2948009423344222
Energy: 1.2709202575211076
Energy: 1.2717411946429054
Energy: 1.3048038912756577
Energy: 1.2613889718554692
Energy: 1.874043671068791
Energy: 1.2733622814874894
Energy: 1.2797246072622872
Energy: 1.2715890023946557
Energy: 1.2762726548072123
Energy: 1.2696054700369437
Energy: 1.4739768365687824
Energy: 1.2762308345944182
Energy: 1.2954153477466037
Energy: 1.302025899138051
Energy: 1.2742956620009949
Energy: 1.2861201848110053
Energy: 1.7675141096207538
Energy: 1.2707395900028604
Energy: 1.2859329983509233
Energy: 1.2680651986693166
Energy: 1.2753443198146153
Energy: 1.2789852109532882
Energy: 1.3088726345356565
Energy: 1.2780746413248776
Energy: 1.3037759039083405
Energy: 1.2858428843353118
Energy: 1.2777265360857473
Energy: 1.2970367431135006
Energy: 1.6099551915168804
Energy: 1.2789980540944916
Energy: 1.2762062801752174
Energy: 1.6201627482764547
Energy: 1.2637927339691097
Energy: 1.3392352443036153
Energy: 1.3901083443541864
Energy: 1.2760981861681402
Energy: 1.278045012372705
Energy: 1.3307070320599064
Energy: 1.27360761800901
Energy: 1.2993476709592784
Energy: 1.3900361216445243
Energy: 1.2778128615929136
Energy: 1.3001719294813718
Energy: 1.3325094707284728
Energy: 1.2764046858003302
Energy: 1.2783119012473663
Energy: 1.381263470381786
Energy: 1.2660719892580445
Energy: 1.2769138288358293
Energy: 1.277060053553078
Energy: 1.2817369152844693
Energy: 1.277145819445473
Energy: 1.3297554992802254
Energy: 1.2788740220189017
Energy: 1.281204168996537
Energy: 1.2653983499595236
Energy: 1.2744820466106948
Energy: 1.276453732295855
Energy: 2.332770078566286
Energy: 1.2822312141726093
Energy: 1.2778324236909284
Energy: 1.2666413530232117
Energy: 1.2786188155741116
Energy: 1.2761158412461393
Energy: 1.636716392608873
Energy: 1.2954873303399788
Energy: 1.2751103329681595
Energy: 1.274223156983652
Energy: 1.328624644081339
Energy: 1.2772407550048879
Energy: 1.4417619465800229
Energy: 1.2983336475253213
Energy: 1.2950602056967997
Energy: 1.3000855586068398
Energy: 1.2862123742228948
Energy: 1.2726171447890182
Energy: 1.6395478973416422
Energy: 1.2960799596977226
Energy: 1.295460009879341
Energy: 1.2749915590080294
Energy: 1.3070129954891296
Energy: 1.2973262259835194
Energy: 1.4161136298823502
Energy: 1.241766365617546
Energy: 1.2707565610776848
Energy: 1.2783068755006444
Energy: 1.2430801884492022
Energy: 1.2870846263005107
Energy: 1.372433618495687
Energy: 1.290209199343709
Energy: 1.269760878111602
Energy: 1.2743569876140284
Energy: 1.2707376227998486
Energy: 1.2790969085871904
Energy: 1.371108767856879
Energy: 1.2702535263693864
Energy: 1.2784428024250154
Energy: 1.2747790144712443
Energy: 1.2698130972411763
Energy: 1.2696046727369852
Energy: 1.3714397707014183
Energy: 1.2978409426492419
Energy: 1.291666764835637
Energy: 1.27428480835523
Energy: 1.2966796045138644
Energy: 1.2961736370832708
Energy: 1.4766748418541509
Energy: 1.2705600438795583
Energy: 1.279055864250025
Energy: 1.275715300063017
Energy: 1.2711677854024308
Energy: 1.2714644223897973
Energy: 1.4698942377576685
Energy: 1.2465945703901835
Energy: 1.2451028796678074
Energy: 1.2673475994296692
Energy: 1.2628557461167838
Energy: 1.2631527268172407
Energy: 1.4762421612987986
Energy: 1.259419081867281
Energy: 1.2593029775423519
Energy: 1.3017528615738851
Energy: 1.261406734996782
Energy: 1.2632939902453795
Energy: 1.872904694548368
Energy: 1.278530972753582
Energy: 1.2794272579522548
Energy: 1.271857715182736
Energy: 1.2649104467981174
Energy: 1.2690198648030548

minimum gb energy = 1.2395672125962574 eV
minimum distance =  2.30687788799389 Angstroms
sigma value = 57


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

Energy: 0.7441203986693429
Energy: 0.7035963776232378
Energy: 0.6975739200354929
Energy: 0.7008882596241812
Energy: 0.7308531867120798
Energy: 0.6949103152885885
Energy: 0.7465523140522266
Energy: 0.7220866415677676
Energy: 0.718263044033038
Energy: 0.7288534761738992
Energy: 0.7284059702637076
Energy: 0.7173085184718926
Energy: 0.8936586528063726
Energy: 0.7251297098114243
Energy: 0.7187389316477775
Energy: 0.7304221689263285
Energy: 0.7312105873762543
Energy: 0.7163878217857312
Energy: 0.8947037403518164
Energy: 0.7249204900251259
Energy: 0.7194486226307513
Energy: 0.7325506956654185
Energy: 0.7302875535999698
Energy: 0.7178612427122453
Energy: 0.8848175775504887
Energy: 0.6999878334965444
Energy: 0.6985857086754075
Energy: 0.7314655638482989
Energy: 0.6997670681561817
Energy: 0.7184345704111079
Energy: 0.8286673729426188
Energy: 0.6968962714208813
Energy: 0.7005847388695909
Energy: 0.7277753970909584
Energy: 0.6979981807023997
Energy: 0.6973274197603135
Energy: 0.817253662615369
Energy: 0.7238978199561887
Energy: 0.7186891902760882
Energy: 0.7395932236355236
Energy: 0.7281381716634157
Energy: 0.7159123369074584
Energy: 0.8289105771678263
Energy: 0.7250154387758923
Energy: 0.7215500738210011
Energy: 0.7342152925012415
Energy: 0.7299989534304054
Energy: 0.7209185906051507
Energy: 0.8839131207573623
Energy: 0.7175942625064731
Energy: 0.7168484232468775
Energy: 0.7327761046216741
Energy: 0.7232127664937656
Energy: 0.7196679246398842
Energy: 0.7466732646066722
Energy: 0.7201915140376066
Energy: 0.696456683541529
Energy: 0.6992280202799183
Energy: 0.7292227461339835
Energy: 0.6985116592924003
Energy: 0.7467768980261721
Energy: 0.7222163086566069
Energy: 0.7187112910336806
Energy: 0.6984406555070243
Energy: 0.7280433509777243
Energy: 0.6987752740146406
Energy: 0.8877394925429635
Energy: 0.7204070234015383
Energy: 0.7179506404366371
Energy: 0.7270006788153204
Energy: 0.7310147004623712
Energy: 0.716920713774801
Energy: 1.47431758104795
Energy: 0.7220226192748214
Energy: 0.7177806417917528
Energy: 0.7210019344276949
Energy: 0.7290996310040948
Energy: 0.7161174104302968
Energy: 0.885406683497927
Energy: 0.7209906416763608
Energy: 0.7183848599094594
Energy: 0.7304880338339312
Energy: 0.7290644693281498
Energy: 0.7182343804727597
Energy: 0.8943372351808121
Energy: 0.6990590744312508
Energy: 0.6956706116601145
Energy: 0.7314973808358165
Energy: 0.698491680750181
Energy: 0.6973316850825569
Energy: 0.8216757264201994
Energy: 0.7183384870256861
Energy: 0.7171738211796777
Energy: 0.733078898610897
Energy: 0.7044146370447202
Energy: 0.7181947389784449
Energy: 0.8268332275365009
Energy: 0.7184303867763845
Energy: 0.7165409219658961
Energy: 0.73343858448987
Energy: 0.7227357733373353
Energy: 0.71761565859595
Energy: 0.8916630695175181
Energy: 0.7252784481049381
Energy: 0.7197616123220344
Energy: 0.7315523144253536
Energy: 0.73041850675302
Energy: 0.7189436798949783
Energy: 0.7467264459893278
Energy: 0.7247836955997009
Energy: 0.7205162221694867
Energy: 0.6993544819921506
Energy: 0.728549902348763
Energy: 0.7181148161206465

minimum gb energy = 0.6949103152885885 eV
minimum distance =  2.38533301089933 Angstroms
sigma value = 11


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

Energy: 2.146984624847675
Energy: 0.9903668327313792
Energy: 1.2738128165841542
Energy: 1.0052252545501215
Energy: 1.1325555288772846
Energy: 1.2718811199596525
Energy: 1.071136284737707
Energy: 0.9939924876303846
Energy: 0.9990434124584889
Energy: 0.9880770085098879
Energy: 0.9897362999517588
Energy: 0.9930171031212691
Energy: 1.064377096886949
Energy: 0.9888320427194514
Energy: 0.9899206192578737
Energy: 0.9878611231346883
Energy: 0.9879249166541345
Energy: 0.9939763513144283
Energy: 1.0631173803066818
Energy: 0.9919987542046886
Energy: 0.9909416768469432
Energy: 0.9874791610977706
Energy: 0.9881938289942832
Energy: 0.9922813504532417
Energy: 1.0448370045046846
Energy: 1.1356131086137757
Energy: 1.137006564154698
Energy: 0.9901774010662154
Energy: 1.1334002796977547
Energy: 0.994701488428196
Energy: 1.1108095797456454
Energy: 0.9997249219717141
Energy: 0.9991561634266976
Energy: 0.9857523534262905
Energy: 0.9917315074669054
Energy: 1.1362564896070404
Energy: 1.1213497037473863
Energy: 0.992826756890141
Energy: 0.9937679721355089
Energy: 0.9891791003910287
Energy: 0.988619799418094
Energy: 0.9920889358763274
Energy: 1.073288544010353
Energy: 1.2102850221308434
Energy: 1.2139886420484858
Energy: 0.9854155270349886
Energy: 1.2109299892776175
Energy: 1.0070467545162372
Energy: 1.114008820453485
Energy: 0.9894669070176187
Energy: 0.9906814096896467
Energy: 0.9903016698261291
Energy: 0.9884152559090847
Energy: 0.9931835637663626
Energy: 1.517927501861366
Energy: 0.9911500696824823
Energy: 0.9980006449762455
Energy: 0.9929665567750688
Energy: 0.9895800822414567
Energy: 0.9972441950523214
Energy: 1.161477601268578
Energy: 1.1324936646853407
Energy: 1.1372795405734264
Energy: 1.1326941052354833
Energy: 1.1324282551056444
Energy: 1.1379804705654872
Energy: 1.3408825157145274
Energy: 0.9867913213479448
Energy: 0.9914938193353602
Energy: 1.2131366075062595
Energy: 0.9858754011983825
Energy: 0.9884745172663523
Energy: 1.5772173488632435
Energy: 0.9881100262957337
Energy: 0.9858538402016095
Energy: 1.2129833147964775
Energy: 0.9869723227657368
Energy: 0.9890289596907534
Energy: 1.3407669078344442
Energy: 1.278173435711146
Energy: 1.276198256429129
Energy: 1.1342791344583938
Energy: 1.1366360715545105
Energy: 1.2749855680153146
Energy: 1.34191947703991
Energy: 0.9913265384510239
Energy: 0.9917737969252391
Energy: 1.1360705982547976
Energy: 0.990324384137503
Energy: 1.1386675898018195
Energy: 1.6317798955603373
Energy: 1.137446956025875
Energy: 1.2744558453984325
Energy: 1.1345996639550713
Energy: 1.1322334809361745
Energy: 1.2752493007552814
Energy: 1.8273332847847545
Energy: 1.0157369390519893
Energy: 0.9919328310012812
Energy: 1.4501136775743229
Energy: 1.0182108499617615
Energy: 0.9918541664773001
Energy: 2.1184426569064434
Energy: 1.134484269818011
Energy: 1.1360342144650406
Energy: 0.9890327398449807
Energy: 1.1339540384014526
Energy: 1.1358512073751297
Energy: 1.1672771460137064
Energy: 0.9899844204247751
Energy: 0.9917482564937862
Energy: 0.988537133591322
Energy: 0.9866262728622099
Energy: 0.990655036731086
Energy: 1.4666167087406075
Energy: 1.2384302394538458
Energy: 1.2675960426513255
Energy: 1.2192490558438374
Energy: 0.9935995878904158
Energy: 1.2613990848686156
Energy: 1.6313001632305266
Energy: 1.1326594400980057
Energy: 1.1361908755687706
Energy: 1.134917714027532
Energy: 1.2702677853213462
Energy: 1.1342184862335807
Energy: 1.0504305251398156
Energy: 0.995219302946104
Energy: 0.9955587208413079
Energy: 1.1355793622985648
Energy: 0.9925194990129552
Energy: 1.2754420429621662
Energy: 1.0545004892074255
Energy: 1.1344588246481306
Energy: 1.1382524786042725
Energy: 0.9877565592310592
Energy: 0.9948183546838552
Energy: 1.137507892271644
Energy: 1.2867271869982584
Energy: 0.9871659599794625
Energy: 0.9884433826685884
Energy: 1.2128114296516634
Energy: 0.9884071121451378
Energy: 0.9887322043965387
Energy: 1.2714997823984662
Energy: 0.9910399396023778
Energy: 0.9891216191354799
Energy: 0.9976891636870479
Energy: 0.9870044021271395
Energy: 0.9880185950071878
Energy: 1.1498125388196065
Energy: 0.9910756947358985
Energy: 0.9946989300252068
Energy: 1.134036071620365
Energy: 0.9873946243746718
Energy: 0.9960587177763996

minimum gb energy = 0.9854155270349886 eV
minimum distance =  2.35887466678391 Angstroms
sigma value = 41


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

Energy: 2.3622039020773804
Energy: 1.05375837699835
Energy: 1.0536868130213843
Energy: 1.9189903061705196
Energy: 1.0546554036995477
Energy: 1.0913632816551855
Energy: 1.165108010644904
Energy: 1.0528082806614134
Energy: 1.0509182540230662
Energy: 1.0587969984692247
Energy: 1.0609536977466552
Energy: 1.051438240182694
Energy: 1.1199984118864494
Energy: 1.0540588552834669
Energy: 1.053652388629671
Energy: 1.0552198749539774
Energy: 1.054590025203585
Energy: 1.0534237080716844
Energy: 1.1202599802485376
Energy: 1.0556714390305273
Energy: 1.0538871260233655
Energy: 1.0563141252829968
Energy: 1.0563762593926538
Energy: 1.0540190846884694
Energy: 1.1231256575215964
Energy: 1.0664124955675076
Energy: 1.0648853682815371
Energy: 1.053887751967238
Energy: 1.0785644737090248
Energy: 1.0529133984895274
Energy: 1.2248931687149143
Energy: 1.0554626163403726
Energy: 1.0559961097965593
Energy: 1.0572512416559448
Energy: 1.0570450123610897
Energy: 1.0559996369437832
Energy: 1.2254864010707662
Energy: 1.0576451905300084
Energy: 1.054997570085484
Energy: 1.0562470181229686
Energy: 1.0590180284998527
Energy: 1.0543268944570006
Energy: 1.162106397444153
Energy: 1.056751831262939
Energy: 1.0578785871780627
Energy: 1.0602778647051823
Energy: 1.0557759061198855
Energy: 1.047865371204499
Energy: 1.2281924830732354
Energy: 1.0527873522844242
Energy: 1.0538155332288937
Energy: 1.0533900963344491
Energy: 1.0573317202681747
Energy: 1.055412811124282
Energy: 1.7984286921023358
Energy: 1.056223389258058
Energy: 1.05449544139466
Energy: 1.061273034483672
Energy: 1.0609612848897687
Energy: 1.052472323398859
Energy: 1.2243415512805282
Energy: 1.058474703089727
Energy: 1.0573268121254678
Energy: 1.0607462594722918
Energy: 1.0602357001729963
Energy: 1.0581393173585678
Energy: 1.2274405162808149
Energy: 1.0495902983719272
Energy: 1.0497031980305263
Energy: 1.0600573823456614
Energy: 1.052692737919936
Energy: 1.0573300146891447
Energy: 1.1281451018541528
Energy: 1.0512233942978673
Energy: 1.0508199049767204
Energy: 1.0599183892491728
Energy: 1.0521445511276841
Energy: 1.0523071118365517
Energy: 1.1329402630705476
Energy: 1.0516426011232223
Energy: 1.0500057422941016
Energy: 1.0596772850035012
Energy: 1.0533105253593902
Energy: 1.0496145310870473
Energy: 1.1301860050738453
Energy: 1.0521163906640558
Energy: 1.0511894679756395
Energy: 1.055832461994169
Energy: 1.087214154807117
Energy: 1.0543424367018488
Energy: 1.1267673016196513
Energy: 1.0547264091260684
Energy: 1.052617720588198
Energy: 1.0597779435467998
Energy: 1.0519245598155615
Energy: 1.052044101712144
Energy: 2.347075821764927
Energy: 1.0603378885904382
Energy: 1.0583053102397855
Energy: 1.4193848938766473
Energy: 1.0670716790539565
Energy: 1.0611877720770788
Energy: 1.163481037929336
Energy: 1.058368346807245
Energy: 1.053996650421297
Energy: 1.0574136925648898
Energy: 1.060162598100689
Energy: 1.0550142016901256
Energy: 1.1217386236889384
Energy: 1.0530129920653668
Energy: 1.052402717124972
Energy: 1.0597757086882793
Energy: 1.054450563408065
Energy: 1.0544107112778045
Energy: 1.1196284598702604
Energy: 1.0552938423660687
Energy: 1.052747395357453
Energy: 1.055262356510619
Energy: 1.0537633079070485
Energy: 1.052402813505572
Energy: 1.1253953630096671
Energy: 1.0534612376121237
Energy: 1.0573311174177698
Energy: 1.060603817831069
Energy: 1.0568182018133623
Energy: 1.0541804348979362
Energy: 1.9235439482459857
Energy: 1.0928945266277614
Energy: 1.3753658455457094
Energy: 1.0544798229306722
Energy: 1.1017735818669518
Energy: 1.3640522261976642
Energy: 1.2280452154812078
Energy: 1.0559822030079353
Energy: 1.0529898723926379
Energy: 1.061840810344888
Energy: 1.0581034471108257
Energy: 1.051133939536801
Energy: 1.161625578957163
Energy: 1.1015688912900419
Energy: 1.1016600012381377
Energy: 1.0595115202990655
Energy: 1.0556229091582343
Energy: 1.0537528168745933
Energy: 1.2257150911338441
Energy: 1.0583163849911916
Energy: 1.0531075138048074
Energy: 1.0499568241241894
Energy: 1.058413394732476
Energy: 1.052471178568934
Energy: 1.227970487646598
Energy: 1.0588783220715603
Energy: 1.0574300872872358
Energy: 1.0614983730622012
Energy: 1.0599091834054506
Energy: 1.0582678381018336
Energy: 1.224345338779643
Energy: 1.0566902107507046
Energy: 1.0531050385378462
Energy: 1.0606838580752276
Energy: 1.056160746280936
Energy: 1.0521032733334668
Energy: 1.2235012283083997
Energy: 1.0598463768963304
Energy: 1.071193091819775
Energy: 1.0587797971890405
Energy: 1.051188759032059
Energy: 1.0575991041589636
Energy: 1.1309433247076912
Energy: 1.0546009486446357
Energy: 1.0563570588282813
Energy: 1.045249663010987
Energy: 1.0408384323629145
Energy: 1.1100469836491986
Energy: 1.1291254243687623
Energy: 1.0476787400281558
Energy: 1.071838871109151
Energy: 1.058211446388233
Energy: 1.069847475290584
Energy: 1.073005174296428
Energy: 1.129035227891444
Energy: 1.0519508760188503
Energy: 1.0521250324407267
Energy: 1.0556243669589715
Energy: 1.3980202533560528
Energy: 1.0575887604303384
Energy: 1.1277586707984926
Energy: 1.0559098058457506
Energy: 1.0538193989419524
Energy: 1.0535159482213063
Energy: 1.0511017271870744
Energy: 1.0526909765743688
Energy: 1.2881792532648368
Energy: 1.0566134237402314
Energy: 1.0606079870659095
Energy: 1.058359544228567
Energy: 1.0575584958796789
Energy: 1.05464464967311

minimum gb energy = 1.0408384323629145 eV
minimum distance =  2.34610125496016 Angstroms
sigma value = 33


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

Energy: 1.3963843043834099
Energy: 1.1408050670303735
Energy: 1.1388676770833663
Energy: 1.2204406831437402
Energy: 1.135007437393949
Energy: 1.1384728268366662
Energy: 1.2790495643321902
Energy: 1.1390312842432295
Energy: 1.1358486640287877
Energy: 1.1440822444215746
Energy: 1.1398987929927227
Energy: 1.1358512401634253
Energy: 1.213006468302389
Energy: 1.1443261061617078
Energy: 1.142359980894713
Energy: 1.1440287488663907
Energy: 1.147773398039207
Energy: 1.1394670992177593
Energy: 1.2149453159112378
Energy: 1.139049122565262
Energy: 1.1408377258628521
Energy: 1.1410710124938468
Energy: 1.1417745016605856
Energy: 1.1389021268393829
Energy: 1.2086544136455575
Energy: 1.1423135150805397
Energy: 1.1460464017247944
Energy: 1.1361927316951126
Energy: 1.1499334256553295
Energy: 1.147281508350246
Energy: 1.206055062476321
Energy: 1.1487429096769617
Energy: 1.14500584836377
Energy: 1.1333693709720805
Energy: 1.1511222981819424
Energy: 1.1451305771434326
Energy: 1.280191959836731
Energy: 1.1555933780109209
Energy: 1.1362613138979953
Energy: 1.1456819630200055
Energy: 1.1568306749367243
Energy: 1.1418132021005396
Energy: 1.266912017438075
Energy: 1.1551277552996495
Energy: 1.2117606053946361
Energy: 1.1407068927042658
Energy: 1.1571853931048501
Energy: 1.2299459289317627
Energy: 1.2798735326298043
Energy: 1.1555251000881837
Energy: 1.157059320709195
Energy: 1.1497125374865291
Energy: 1.1463224237989533
Energy: 1.1646718377546406
Energy: 1.2849323414444243
Energy: 1.161564547942318
Energy: 1.1618389892277121
Energy: 1.143100840688325
Energy: 1.1510812224017417
Energy: 1.158163342469007
Energy: 1.2815189583081568
Energy: 1.1575991295660066
Energy: 1.1359475564609902
Energy: 1.1400749736700049
Energy: 1.158532718224363
Energy: 1.1384437171577042
Energy: 1.280835849588121
Energy: 1.1381030667771181
Energy: 1.1388316972054966
Energy: 1.1410761542956314
Energy: 1.136369897355504
Energy: 1.1581406600292383
Energy: 1.2068688808950445
Energy: 1.136957720150745
Energy: 1.1373990030881749
Energy: 1.1406131836344358
Energy: 1.1358614065085282
Energy: 1.136875977181006
Energy: 1.216265736013334
Energy: 1.1411898895427504
Energy: 1.1382696956180973
Energy: 1.1402216758872976
Energy: 1.1418682992355782
Energy: 1.1395280911720875
Energy: 1.1538560811474208
Energy: 1.1368775122763288
Energy: 1.137232107326641
Energy: 1.1461143234969005
Energy: 1.142289687387848
Energy: 1.136494766750254
Energy: 1.228525660368792
Energy: 1.1473257779882218
Energy: 1.141526739071159
Energy: 1.1419652783828327
Energy: 1.1449615313964545
Energy: 1.138098342753375
Energy: 1.2870252277898981
Energy: 1.1395454199379016
Energy: 1.1498578381640356
Energy: 1.1527429468468569
Energy: 1.1354814326936973
Energy: 1.1512707634970953
Energy: 1.2848102042427272
Energy: 1.1507989341473164
Energy: 1.1669984913403497
Energy: 1.1509922275530389
Energy: 1.1394372443228284
Energy: 1.158070684352363
Energy: 1.3076837128810896
Energy: 1.1392271123436528
Energy: 1.1379167238087549
Energy: 1.1413137609129764
Energy: 1.1418898438094265
Energy: 1.1605787150978308
Energy: 1.1659725338057971
Energy: 1.1382843524768271
Energy: 1.1364595147189762
Energy: 1.1496732342159426
Energy: 1.142108707911334
Energy: 1.1601368749440915
Energy: 1.1643109413093726
Energy: 1.155969114552787
Energy: 1.1571507702309916
Energy: 1.1481925650016007
Energy: 1.1559750996046656
Energy: 1.1565394375077014
Energy: 1.1673661196278173
Energy: 1.1485475720541014
Energy: 1.155566227981106
Energy: 1.1508017003374962
Energy: 1.1361768489469017
Energy: 1.1541252701549463
Energy: 1.2129758468114162
Energy: 1.1402799590191819
Energy: 1.1375997701761895
Energy: 1.1600897483970827
Energy: 1.1428795764917998
Energy: 1.1568846175719236
Energy: 1.2761774916907769
Energy: 1.1394174860766408
Energy: 1.1348245909740187
Energy: 1.13594550786367
Energy: 1.1399615171576098
Energy: 1.1327602591715402
Energy: 1.275866183096497
Energy: 1.1439761687954317
Energy: 1.1547830192836601
Energy: 1.1583686068541068
Energy: 1.1437434500360295
Energy: 1.1418056712707976
Energy: 1.2152064319345022
Energy: 1.142031617573544
Energy: 1.1360733579279765
Energy: 1.1419620039169052
Energy: 1.1459114855235932
Energy: 1.1353275644116858
Energy: 1.2128754307412695
Energy: 1.138989553894254
Energy: 1.1388169217462132
Energy: 1.1428365090804644
Energy: 1.142144391066207
Energy: 1.1387072244512377
Energy: 1.210896274506186
Energy: 1.1411630006090046
Energy: 1.1424548205103855
Energy: 1.1380263348132624
Energy: 1.1527410669191236
Energy: 1.15371421580999
Energy: 1.2053017104692332
Energy: 1.1477276805328964
Energy: 1.1443972723790228
Energy: 1.1332573145881641
Energy: 1.1528291636374846
Energy: 1.1485429401669751
Energy: 1.27972550600386
Energy: 1.1568244610340177
Energy: 1.1556016344697624
Energy: 1.1488693501467349
Energy: 1.1565633932905284
Energy: 1.1409376131907438
Energy: 1.2608660550701296
Energy: 1.1513408332996884
Energy: 1.2099500246129982
Energy: 1.1365945450839525
Energy: 1.1489034872438506
Energy: 1.1407514447791465
Energy: 1.2804612593901348
Energy: 1.1560158278565893
Energy: 1.1561441353463158
Energy: 1.155886245719447
Energy: 1.1516519156994112
Energy: 1.1552712165427972
Energy: 1.283345325796783
Energy: 1.1600706291934928
Energy: 1.159990232059175
Energy: 1.141152578227021
Energy: 1.1604291216035283
Energy: 1.1591051234408927
Energy: 1.2828924361702116
Energy: 1.1596343953271544
Energy: 1.1589403316009417
Energy: 1.1405546189123592
Energy: 1.153598831615516
Energy: 1.1420310250553922
Energy: 1.2806821820184409
Energy: 1.1371101778928085
Energy: 1.1568195759047943
Energy: 1.1395440638231398
Energy: 1.140634373256421
Energy: 1.1561376508181473
Energy: 1.2055394890878555
Energy: 1.1378400846826864
Energy: 1.1357862622638724
Energy: 1.1360332516624516
Energy: 1.1333812595371904
Energy: 1.1360048382156431
Energy: 1.2340196816528968
Energy: 1.138178863787877
Energy: 1.1413742636537858
Energy: 1.1439004411885136
Energy: 1.1363232655923574
Energy: 1.1405410331034054
Energy: 1.2369090935827047
Energy: 1.1347267019044895
Energy: 1.1405875327287789
Energy: 1.2325783760833386
Energy: 1.1351363012905007
Energy: 1.1347785004120141
Energy: 1.2342827817816373
Energy: 1.1442498348124328
Energy: 1.1373020405911942
Energy: 1.1430973757918457
Energy: 1.144835833290195
Energy: 1.1342657723376226
Energy: 1.2852978732683258
Energy: 1.140317455674068
Energy: 1.140233922254359
Energy: 1.15033874436136
Energy: 1.137095123284698
Energy: 1.1458566838870308
Energy: 1.2850622198125599
Energy: 1.146457205263352
Energy: 1.1577928631065324
Energy: 1.1474018591904975
Energy: 1.1370177160791188
Energy: 1.1583468967699202
Energy: 1.2146964652207133
Energy: 1.1375208099266105
Energy: 1.1452744750908483
Energy: 1.148005776626778
Energy: 1.1394346208767838
Energy: 1.1361525368623777
Energy: 1.1676168855931799
Energy: 1.1402787399001757
Energy: 1.1387184445436644
Energy: 1.1501024252750365
Energy: 1.1427324281146571
Energy: 1.1372814279280439
Energy: 1.1692337352836195
Energy: 1.1578133132061261
Energy: 1.1596298399004066
Energy: 1.1470093488848623
Energy: 1.1575344575776902
Energy: 1.166692752746618
Energy: 1.1682267278324556
Energy: 1.1500102484789902
Energy: 1.150919164335293
Energy: 1.1586784820132632
Energy: 1.5356387210803948
Energy: 1.1530532845540316
Energy: 1.2132525736273216
Energy: 1.1402558928251874
Energy: 1.1387279720398429
Energy: 1.158341295401545
Energy: 1.1515553551576152
Energy: 1.1373619200024419
Energy: 1.2589842603108055
Energy: 1.1376408412719963
Energy: 1.1361544103936418
Energy: 1.1349698592217203
Energy: 1.1384712946244278
Energy: 1.1381041183113971

minimum gb energy = 1.1327602591715402 eV
minimum distance =  2.35382272494873 Angstroms
sigma value = 67


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

Energy: 1.890677504839833
Energy: 1.3436124637111204
Energy: 1.3462194253258222
Energy: 1.3414397837804581
Energy: 1.2157470814740396
Energy: 1.3453708214145654
Energy: 1.3645684643945082
Energy: 1.250646860919114
Energy: 1.249514164934028
Energy: 1.2488319857856867
Energy: 1.2501972665032677
Energy: 1.2494405363078516
Energy: 1.2833300067948423
Energy: 1.2061906512043903
Energy: 1.2034450562791044
Energy: 1.2062385967977731
Energy: 1.2040567006656175
Energy: 1.2019939049005484
Energy: 1.2831668402418657
Energy: 1.2042932513795683
Energy: 1.203807891751115
Energy: 1.2062072633165015
Energy: 1.2041255888014422
Energy: 1.204983428979481
Energy: 1.3348131376988248
Energy: 1.2512253849342603
Energy: 1.2555502009092387
Energy: 1.2546713297903451
Energy: 1.251227735260919
Energy: 1.2515781132353554
Energy: 1.3363462085438373
Energy: 1.2330105939023215
Energy: 1.2553345198563204
Energy: 1.2562342763582242
Energy: 1.2344248666686723
Energy: 1.2556563580334843
Energy: 1.3648539979180676
Energy: 1.2518110437050243
Energy: 1.2499279953048177
Energy: 1.21208810193952
Energy: 1.250452034929984
Energy: 1.249362907279156

minimum gb energy = 1.2019939049005484 eV
minimum distance =  2.36083049574495 Angstroms
sigma value = 3


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

Energy: 1.7396018515025438
Energy: 1.3336995726089367
Energy: 1.2879317614612338
Energy: 1.4383227059274644
Energy: 1.5976991662099196
Energy: 1.2870611049467506
Energy: 1.348701951094207
Energy: 1.3919222762006906
Energy: 1.380175328042689
Energy: 1.3678082198468753
Energy: 1.3886741652884207
Energy: 1.3778058574028575
Energy: 1.4435858386466742
Energy: 1.3322243853290967
Energy: 1.330114262435242
Energy: 1.4168446306284428
Energy: 1.4173542236939494
Energy: 1.3997198421493633
Energy: 1.373978615815052
Energy: 1.3917984358224005
Energy: 1.3856144423558563
Energy: 1.3650086329493931
Energy: 1.3482587927339076
Energy: 1.376601932130011
Energy: 1.3370586785932976
Energy: 1.3146824980821499
Energy: 1.310527240175284
Energy: 1.3131798126919647
Energy: 1.3210175282866097
Energy: 1.3039466713271002
Energy: 1.3944134326859112
Energy: 1.312610842766116
Energy: 1.309761051317942
Energy: 1.3447591022031657
Energy: 1.3016273433742258
Energy: 1.3050599904905529
Energy: 1.338020130419704
Energy: 1.312014285881458
Energy: 1.3147934350336767
Energy: 1.310405795016895
Energy: 1.3070496401011678
Energy: 1.3174142327421343
Energy: 1.6839602604569157
Energy: 1.4007679495621357
Energy: 1.407079554806767
Energy: 1.4338582700416214
Energy: 1.4002241771423807
Energy: 1.4066736093781629
Energy: 1.3365147270024273
Energy: 1.3082798482753661
Energy: 1.3748610951094666
Energy: 1.31157231398073
Energy: 1.3094972603956467
Energy: 1.3749055265748402
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Energy: 1.4293892023973453
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Energy: 1.4301181207667384
Energy: 1.4158562504824757
Energy: 1.4093702072157535
Energy: 1.3471918482734204
Energy: 1.3452307494810143
Energy: 1.304714905554949
Energy: 1.2773768075827079
Energy: 1.3090216699173647
Energy: 1.4118556902380102
Energy: 1.317506262450839
Energy: 1.2986632044647053
Energy: 1.3199045880842406
Energy: 1.3135615754954806
Energy: 1.304173276869284
Energy: 1.3665834689541236
Energy: 1.3048431250115455
Energy: 1.3082019761770114
Energy: 1.290645861990188
Energy: 1.3039761727884316
Energy: 1.3083109379782554
Energy: 1.520253164972548
Energy: 1.368650459682046
Energy: 1.349219847710921
Energy: 1.374908083503227
Energy: 1.3708324987703553
Energy: 1.5136548284473872
Energy: 1.5050202408959903
Energy: 1.406040356157382
Energy: 1.4251267690637115
Energy: 1.3505205108877405
Energy: 1.418484652759406
Energy: 1.4237073588373341
Energy: 1.5169730441995455
Energy: 1.3896617038342731
Energy: 1.3776282713972114
Energy: 1.384686875606012
Energy: 1.3645352971142817
Energy: 1.3812935169329044
Energy: 1.5162757285649127
Energy: 1.4257736535833478
Energy: 1.4376458838847175
Energy: 1.3746988623336385
Energy: 1.442996588755796
Energy: 1.3882677296502173
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Energy: 1.38787744251612
Energy: 1.3861858844966841
Energy: 1.385878110139065
Energy: 1.387541195357457
Energy: 1.3859345688583091
Energy: 1.5742423533694467
Energy: 1.3718418159200467
Energy: 1.3745023598462696
Energy: 1.4145063727791143
Energy: 1.3890402723367608
Energy: 1.4264378281837067
Energy: 1.465180037164266
Energy: 1.3687990301764286
Energy: 1.384160889789221
Energy: 1.412033678809936
Energy: 1.4033891514089825
Energy: 1.4291794577543842
Energy: 1.3463474119442826
Energy: 1.2809360546588535
Energy: 1.2811141534058004
Energy: 1.2856568480094575
Energy: 1.2834205444589846
Energy: 1.2772671237972477
Energy: 1.347187761873225
Energy: 1.2799816764353993
Energy: 1.2807489300979165
Energy: 1.2804773465892136
Energy: 1.2831045236210397
Energy: 1.2806497409109603
Energy: 1.3452270383334384
Energy: 1.2773336243770985
Energy: 1.276361192879574
Energy: 1.2862261518282898
Energy: 1.2805748676487647
Energy: 1.2744572466233914
Energy: 1.392525050334506
Energy: 1.4282311392773768
Energy: 1.4338913530699544
Energy: 1.349430436153763
Energy: 1.4269920570415446
Energy: 1.4230066179666676
Energy: 1.3746625354089694
Energy: 1.388635594085623
Energy: 1.3872937794451186
Energy: 1.363444011067596
Energy: 1.3897479206546064
Energy: 1.385465613736895
Energy: 1.591328346107787
Energy: 1.4053490146712895
Energy: 1.3329658999050948
Energy: 1.34158125746278
Energy: 1.396502051627098
Energy: 1.3528487914563239
Energy: 1.3747913434831753
Energy: 1.4123450045063812
Energy: 1.5270637309348092
Energy: 1.3453191028456684
Energy: 1.4211099021119018
Energy: 1.3458064838361645
Energy: 1.4078645885650656
Energy: 1.3860669714013454
Energy: 1.3840108048133286
Energy: 1.3643160374124736
Energy: 1.3945214370799424
Energy: 1.3769318032685103
Energy: 1.4395858176431928
Energy: 1.4236082387934543
Energy: 1.4217890846356758
Energy: 1.4168710649664635
Energy: 1.4158040158182692
Energy: 1.427017759623323
Energy: 1.4970817014084385
Energy: 1.3049061642787143
Energy: 1.3096977939337693
Energy: 1.4593725592049214
Energy: 1.2842086504418282
Energy: 1.3039420977920464
Energy: 1.394078628590631
Energy: 1.3482095192092833
Energy: 1.349625263688574
Energy: 1.3454214729951237
Energy: 1.3439392163982187
Energy: 1.3421513264663552
Energy: 1.3366633483679116
Energy: 1.3109541825106141
Energy: 1.3039876549542813
Energy: 1.3111250525992433
Energy: 1.3185294140378996
Energy: 1.2986909421644834
Energy: 1.5302207704423514
Energy: 1.401843573623921
Energy: 1.4031358440721384
Energy: 1.4333186010124979
Energy: 1.4073944851517426
Energy: 1.3801075954380515
Energy: 1.5857136403673167
Energy: 1.311479839075335
Energy: 1.3163905389003467
Energy: 1.4031546803895116
Energy: 1.309508893901352
Energy: 1.3054573889181778
Energy: 1.336671282226749
Energy: 1.333395858492699
Energy: 1.3344303945204468
Energy: 1.3119932375907934
Energy: 1.3457971011850536
Energy: 1.315487770474808
Energy: 1.4098584126975218
Energy: 1.4286166976368873
Energy: 1.4250474589482773
Energy: 1.3065330008145433
Energy: 1.4305615500266224
Energy: 1.4140182941951307
Energy: 1.4116252636278541
Energy: 1.3075429162939827
Energy: 1.308474204428447
Energy: 1.3136082423731796
Energy: 1.3092404117742242
Energy: 1.3110482520594544
Energy: 1.3657549110401568
Energy: 1.3415686986131223
Energy: 1.3412305550100607
Energy: 1.2830698132055662
Energy: 1.3463024839198738
Energy: 1.3468067300571853
Energy: 1.3422452041765216
Energy: 1.310569019429626
Energy: 1.3044756192865101
Energy: 1.280104678500013
Energy: 1.3091661468660793
Energy: 1.3074115081781514
Energy: 1.4161373714226764
Energy: 1.4145255387035842
Energy: 1.3870666786099117
Energy: 1.3525800031036594
Energy: 1.4182749670905852
Energy: 1.3811336131090781
Energy: 1.519110278732572
Energy: 1.3718410674734633
Energy: 1.3736902904743722
Energy: 1.3937668668981018
Energy: 1.3670787776968376
Energy: 1.380528927607435
Energy: 1.514948648173333
Energy: 1.3251530063331765
Energy: 1.3087423132623839
Energy: 1.3690292590158677
Energy: 1.405860254334493
Energy: 1.378607072599061
Energy: 1.572353664939551
Energy: 1.3982139931793265
Energy: 1.4056632639423896
Energy: 1.3783383078408933
Energy: 1.4353059322334332
Energy: 1.4043539582272562
Energy: 1.577728071173079
Energy: 1.3746644788904216
Energy: 1.3704953600634653
Energy: 1.3865232392762745
Energy: 1.36249938404341
Energy: 1.3812873192841013
Energy: 1.622098979172941
Energy: 1.347477087512155
Energy: 1.421387597543569
Energy: 1.467150720182538
Energy: 1.3605295384243057
Energy: 1.4225502004185229
Energy: 1.3447655541066839
Energy: 1.2816652962334552
Energy: 1.273139529661472
Energy: 1.2784481670379246
Energy: 1.281431449429916
Energy: 1.2725198389109185
Energy: 1.3441613508288344
Energy: 1.2773072837616168
Energy: 1.2785678773958153
Energy: 1.2868501107659442
Energy: 1.2794833364857978
Energy: 1.2792370030147324
Energy: 1.3445422571637367
Energy: 1.2777346445239326
Energy: 1.2780110749814224
Energy: 1.2835596159429816
Energy: 1.2898777125629048
Energy: 1.2780370234590128
Energy: 1.4540043735953874
Energy: 1.396072923926782
Energy: 1.3849479246366334
Energy: 1.4071386341638514
Energy: 1.397911923367598
Energy: 1.3856319990134818
Energy: 1.4437077809272347
Energy: 1.3944098036730737
Energy: 1.3873269612734782
Energy: 1.4140834269793006
Energy: 1.3867843704319784
Energy: 1.3721961598391155
Energy: 1.3493707508216033
Energy: 1.3103793927206713
Energy: 1.3218778650220566
Energy: 1.3331952006641663
Energy: 1.3101200575094933
Energy: 1.3855230817064375

minimum gb energy = 1.2725198389109185 eV
minimum distance =  2.32924295035575 Angstroms
sigma value = 81


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

Energy: 3.3236138262555266
Energy: 1.602741803495794
Energy: 1.3780504893133936
Energy: 1.524197276220812
Energy: 1.41576287040432
Energy: 1.6463301262912111
Energy: 1.4493122104372744
Energy: 1.235447043519027
Energy: 1.234167826859633
Energy: 1.3176884965774676
Energy: 1.22770473038408
Energy: 1.3171040806920868
Energy: 1.5805925019301943
Energy: 1.3972740045960375
Energy: 1.3975862947831053
Energy: 1.3061639330226988
Energy: 1.3916888652270394
Energy: 1.5771658071309922
Energy: 1.5959635920338089
Energy: 1.391734157345982
Energy: 1.3248530774057987
Energy: 1.3193862191514512
Energy: 1.4009980101685775
Energy: 1.3205400623374057
Energy: 1.6779451296847228
Energy: 1.3858205717462229
Energy: 1.3847346262833697
Energy: 1.37973474426682
Energy: 1.375854509134476
Energy: 1.5097860686510407
Energy: 1.4457402825220298
Energy: 1.3885270444795124
Energy: 1.3848729616615525
Energy: 1.385403651572331
Energy: 1.3730347962754952
Energy: 1.3774414617800128
Energy: 1.6606801851007937
Energy: 1.5609527092649087
Energy: 1.5622455066406158
Energy: 1.5950066169096226
Energy: 1.560377873694819
Energy: 1.5612153673554467
Energy: 1.865028591114995
Energy: 1.5593308642312307
Energy: 1.5604095226563894
Energy: 1.5442217265640283
Energy: 1.5595436614767315
Energy: 1.5048440274517692
Energy: 1.756142780011932
Energy: 1.5605901250531635
Energy: 1.565753266227325
Energy: 1.5882123833527828
Energy: 1.5706375218715787
Energy: 1.5653045200185662
Energy: 1.7018986780754346
Energy: 1.6110462769838347
Energy: 1.6138545530244979
Energy: 1.6253682368731963
Energy: 1.621882757023061
Energy: 1.6277500868577701
Energy: 1.7396981463764865
Energy: 1.4520111211388127
Energy: 1.3350796159067448
Energy: 1.6776260660618392
Energy: 1.4470367948645064
Energy: 1.6200246453080276
Energy: 1.5271605094930822
Energy: 1.439575932165813
Energy: 1.4379314297026093
Energy: 1.3945826404254231
Energy: 1.437388200422966
Energy: 1.439255898886367
Energy: 1.531396308911498
Energy: 1.4382068851551129
Energy: 1.436732448738645
Energy: 1.3905181486497984
Energy: 1.4384443412211554
Energy: 1.402042726926542
Energy: 1.699815411381456
Energy: 1.549985212776726
Energy: 1.55151162264326
Energy: 1.2363610351992311
Energy: 1.5538940432925488
Energy: 1.5485824730706537
Energy: 1.793107257593181
Energy: 1.649439678078153
Energy: 1.633514568513733
Energy: 1.6273782701888544
Energy: 1.637008880996751
Energy: 1.6309080753770353
Energy: 1.7865472219661045
Energy: 1.6242663847409027
Energy: 1.632799500849053
Energy: 1.6299138173548142
Energy: 1.622948480654813
Energy: 1.6341126271325654
Energy: 1.8005119655870825
Energy: 1.5146039762175687
Energy: 1.5166839912492642
Energy: 1.674233048220488
Energy: 1.5115113622233305
Energy: 1.5076683307831649
Energy: 1.9451025437880103
Energy: 1.641165012935975
Energy: 1.7368636771146972
Energy: 1.746352673503563
Energy: 1.5711199960892712
Energy: 1.7384683237031415
Energy: 1.633602652187505
Energy: 1.6301714191274805
Energy: 1.353331705884143
Energy: 1.433258283090124
Energy: 1.6310184634688207
Energy: 1.35867362127865
Energy: 1.6330689682482709
Energy: 1.636680832259768
Energy: 1.372022599280569
Energy: 1.356951404686743
Energy: 1.6309593573938925
Energy: 1.3693239063138474
Energy: 1.6729277230594304
Energy: 1.526644865691339
Energy: 1.5298288949544534
Energy: 1.599533833464579
Energy: 1.4449420720670811
Energy: 1.6160579734325018
Energy: 1.6908049625916324
Energy: 1.4005719186893986
Energy: 1.3998476016009311
Energy: 1.513629222147399
Energy: 1.4010764272558485
Energy: 1.399878280299002
Energy: 1.6823232333762308
Energy: 1.5412270915215802
Energy: 1.541144156865132
Energy: 1.5483647905963573
Energy: 1.5418128461919767
Energy: 1.5436294401090098
Energy: 1.700339948392322
Energy: 1.633792536223728
Energy: 1.633081492992892
Energy: 1.6411730855893134
Energy: 1.6248238959021035
Energy: 1.6326609407952477
Energy: 1.6876288386156142
Energy: 1.6185304724863425
Energy: 1.6416239082379829
Energy: 1.628478822577452
Energy: 1.6311219064051843
Energy: 1.6375313275338792
Energy: 1.6876677301417022
Energy: 1.5610896344979903
Energy: 1.5615346277914772
Energy: 1.5095119794414038
Energy: 1.5597233270800577
Energy: 1.5603455473033785
Energy: 1.6853097959603107
Energy: 1.5608572880400828
Energy: 1.560152786079853
Energy: 1.5205259328968745
Energy: 1.5736804918845655
Energy: 1.5595021502241344
Energy: 1.6957517254452366
Energy: 1.565914069386449
Energy: 1.5621217879562526
Energy: 1.6779135356653574
Energy: 1.5766575455463456
Energy: 1.4221389676092406
Energy: 1.7191732192319027
Energy: 1.611762218051839
Energy: 1.6457347974952803
Energy: 1.631211179909993
Energy: 1.6241048476226778
Energy: 1.6385913405183912
Energy: 1.6182854326410205
Energy: 1.4486858717963156
Energy: 1.4498085043458075
Energy: 1.4474051993160508
Energy: 1.4449830477479908
Energy: 1.4487835562920823
Energy: 1.523935356411357
Energy: 1.4580125711622214
Energy: 1.454879130829292
Energy: 1.3987444672462956
Energy: 1.479177448582056
Energy: 1.4001511124197712
Energy: 1.6599304153955847
Energy: 1.4429503229030751
Energy: 1.4447398883922713
Energy: 1.4604108824406992
Energy: 1.4485153373267556
Energy: 1.4391968385517209
Energy: 1.7783144738209657
Energy: 1.3775717001476373
Energy: 1.380298153170116
Energy: 1.376619403624733
Energy: 1.381630187423981
Energy: 1.3779131246169896
Energy: 1.7775360402799127
Energy: 1.384663863335676
Energy: 1.6248065255285484
Energy: 1.3826487827850273
Energy: 1.3802729702550296
Energy: 1.4934505935545757
Energy: 1.4166163668941478
Energy: 1.3682109277294117
Energy: 1.463966263805659
Energy: 1.476731886524779
Energy: 1.5203179221494438
Energy: 1.4632553653687068
Energy: 1.7304564237597233
Energy: 1.511710028626696
Energy: 1.5095142648209376
Energy: 1.4167311384305974
Energy: 1.5118002342057777
Energy: 1.4383758316832516
Energy: 1.8820480926441303
Energy: 1.3793286258822277
Energy: 1.378046055008946
Energy: 1.4802057626737732
Energy: 1.4401832505721635
Energy: 1.4807180994016225
Energy: 1.7028091750995757
Energy: 1.3912003043700747
Energy: 1.3598007763217164
Energy: 1.3702994696336779
Energy: 1.3900341281056112
Energy: 1.5062843473781193

minimum gb energy = 1.22770473038408 eV
minimum distance =  2.19207789558628 Angstroms
sigma value = 43


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

Energy: 1.8763861902568524
Energy: 1.330842311786177
Energy: 1.2784791608951593
Energy: 1.4692424003915838
Energy: 1.3601985772534755
Energy: 1.5163988242014046
Energy: 1.3424670199624726
Energy: 1.235394305603793
Energy: 1.2886513138368476
Energy: 1.363723591980162
Energy: 1.2364261630437856
Energy: 1.2923744914586004
Energy: 1.3583042618193306
Energy: 1.316806625771564
Energy: 1.3188079676889455
Energy: 1.3720101982797719
Energy: 1.3139343771599914
Energy: 1.3627711839871877
Energy: 1.3968923991633242
Energy: 1.314770549024793
Energy: 1.2820070359331028
Energy: 1.3686641189309596
Energy: 1.3474512695405498
Energy: 1.3580471692962364
Energy: 1.294391297829979
Energy: 1.2085596272576227
Energy: 1.2085862210858633
Energy: 1.2103060566484118
Energy: 1.2085927058875454
Energy: 1.2087308461942534
Energy: 1.2888712846431654
Energy: 1.2086350217494282
Energy: 1.2085600305936817
Energy: 1.208894145106136
Energy: 1.2091612422085847
Energy: 1.2086267972146378
Energy: 1.2878542908220345
Energy: 1.2097138093964734
Energy: 1.209422049024614
Energy: 1.2107208042353201
Energy: 1.2120837551946755
Energy: 1.2100207531641785
Energy: 1.4342804879819928
Energy: 1.3852022744870707
Energy: 1.3700768496836677
Energy: 1.3030251684427903
Energy: 1.3743018150120718
Energy: 1.4271787445052355
Energy: 1.2902208357176266
Energy: 1.3687848192637004
Energy: 1.3848960484626984
Energy: 1.2444266617010418
Energy: 1.361005814168528
Energy: 1.3576574655787803
Energy: 1.590236351228693
Energy: 1.3935902437884535
Energy: 1.4005254008485628
Energy: 1.3391067097858036
Energy: 1.398615257440623
Energy: 1.4060440500537776
Energy: 1.2970364069387428
Energy: 1.3888947228238793
Energy: 1.3873026245930202
Energy: 1.2382045792892518
Energy: 1.417978561633663
Energy: 1.2359166880742454
Energy: 1.4844254807789015
Energy: 1.3590597178148685
Energy: 1.3617288270607049
Energy: 1.2538658454682878
Energy: 1.371181085008405
Energy: 1.361363935691522
Energy: 1.488018141385485
Energy: 1.3601103639603676
Energy: 1.4000820396222322
Energy: 1.3580283295863493
Energy: 1.373501136361614
Energy: 1.4021873732078718
Energy: 1.2935249076906699
Energy: 1.238236611476864
Energy: 1.238617268020846
Energy: 1.235279262366654
Energy: 1.2354339637735456
Energy: 1.2384023028399622
Energy: 1.2901855064023393
Energy: 1.2351411028822061
Energy: 1.2375474342427704
Energy: 1.2371989380861004
Energy: 1.2108573467654529
Energy: 1.2367381187408493
Energy: 1.284912300850862
Energy: 1.2110238192601361
Energy: 1.2171155936081848
Energy: 1.2433142189102926
Energy: 1.2102256417394084
Energy: 1.245041542435422
Energy: 1.322541990198951
Energy: 1.3013109983670637
Energy: 1.3002157320808765
Energy: 1.2995470184560505
Energy: 1.2435346423331628
Energy: 1.305598270913288
Energy: 1.3270464676379619
Energy: 1.2934739704631575
Energy: 1.2950520256181843
Energy: 1.2992122639911088
Energy: 1.298985489672649
Energy: 1.2977365010029227
Energy: 1.5706580884993089
Energy: 1.2909700931597976
Energy: 1.2959705285200984
Energy: 1.4187789966545747
Energy: 1.2983899732258435
Energy: 1.3791798121535344
Energy: 1.527106308321827
Energy: 1.2970825491035964
Energy: 1.3025624790704247
Energy: 1.420150446846141
Energy: 1.3008699102483356
Energy: 1.3761673179876852
Energy: 1.3290170926624647
Energy: 1.2905288734264262
Energy: 1.2963940239732779
Energy: 1.2953226771292967
Energy: 1.2599112962900487
Energy: 1.3022015868324397
Energy: 1.4154197897308802
Energy: 1.4162358678482458
Energy: 1.5556015896691784
Energy: 1.2974003055406627
Energy: 1.3734970786274567
Energy: 1.5494205793598497
Energy: 1.5052076735626239
Energy: 1.2925250725610191
Energy: 1.2942379532258814
Energy: 1.2785852362612355
Energy: 1.2898309821334515
Energy: 1.2944777526971774
Energy: 1.3813175616568079
Energy: 1.3020758263200483
Energy: 1.3037633285793748
Energy: 1.2641705346873244
Energy: 1.3002383667592636
Energy: 1.3030573668036138
Energy: 1.5072357901122355
Energy: 1.2994728039663146
Energy: 1.2930445316328183
Energy: 1.2703287600214348
Energy: 1.3017955753910406
Energy: 1.3019876434490278
Energy: 1.3482935857833889
Energy: 1.237774705227254
Energy: 1.2369939522859172
Energy: 1.2351441303254984
Energy: 1.2397424773448233
Energy: 1.2370074104701383
Energy: 1.3465263452427754
Energy: 1.2371684707040593
Energy: 1.2366199740702786
Energy: 1.2364507227625416
Energy: 1.2369478914532492
Energy: 1.235951425438254
Energy: 1.3417285592222996
Energy: 1.236028031972272
Energy: 1.2352101099097665
Energy: 1.2373367018698025
Energy: 1.2360395601460339
Energy: 1.2346350249426423
Energy: 1.3928851971943919
Energy: 1.3793505972213493
Energy: 1.371791789824033
Energy: 1.4242604481095709
Energy: 1.3263276987505361
Energy: 1.297890838724191
Energy: 1.3680589490471322
Energy: 1.237327062476584
Energy: 1.2365633014550759
Energy: 1.365055573703158
Energy: 1.2360084811669738
Energy: 1.3699396614862684
Energy: 1.5862674511556507
Energy: 1.296309843866108
Energy: 1.3328080928058323
Energy: 1.4297744138497301
Energy: 1.2950122168459048
Energy: 1.341912495604463

minimum gb energy = 1.2085596272576227 eV
minimum distance =  2.33466277612902 Angstroms
sigma value = 57


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

Energy: 1.686927473993309
Energy: 1.5793212716506524
Energy: 1.5884571405386179
Energy: 1.2297770483788293
Energy: 1.5298386529812473
Energy: 1.5289000611935515
Energy: 1.2334446052965722
Energy: 1.1857612673700997
Energy: 1.1837866837964846
Energy: 1.1825408522672367
Energy: 1.1823181867919679
Energy: 1.182993960280819
Energy: 1.3182833095177977
Energy: 1.1939247019206074
Energy: 1.1928321174583094
Energy: 1.320111461337862
Energy: 1.1929245441179217
Energy: 1.1921344469772617
Energy: 1.3912996490532648
Energy: 1.1915287543919735
Energy: 1.1909315174701407
Energy: 1.1814919320270454
Energy: 1.1875262315188189
Energy: 1.1841006128094698
Energy: 1.2626377215923494
Energy: 1.1791756562857956
Energy: 1.1792606518679198
Energy: 1.1879831622317938
Energy: 1.1807773437353601
Energy: 1.1798152332542913
Energy: 1.2352766410926082
Energy: 1.1794747081518406
Energy: 1.1795686358592024
Energy: 1.1798429942317372
Energy: 1.1797019406956373
Energy: 1.1795635692075896
Energy: 1.4388761379441404
Energy: 1.182570780993272
Energy: 1.1836118974714116
Energy: 1.1822757131587438
Energy: 1.1826772486327157
Energy: 1.2115144706919845
Energy: 1.2660333475335066
Energy: 1.31904529364232
Energy: 1.2998946459010687
Energy: 1.200092304520218
Energy: 1.3190742149969106
Energy: 1.3781424681549548
Energy: 1.437348263161525
Energy: 1.3076737022684184
Energy: 1.28623887308964
Energy: 1.1836802462145564
Energy: 1.3139860562600214
Energy: 1.1846830994445419
Energy: 1.7064141539444815
Energy: 1.3283044611212942
Energy: 1.3607557843187945
Energy: 1.446383399948994
Energy: 1.3300445719083551
Energy: 1.3598271572293457
Energy: 1.3175107472452416
Energy: 1.215874661665675
Energy: 1.1818187727861296
Energy: 1.3138466304745304
Energy: 1.2141691656905695
Energy: 1.2882605971441836
Energy: 1.230953607915677
Energy: 1.3099398509434463
Energy: 1.30991163522648
Energy: 1.1853838571838538
Energy: 1.316684283447736
Energy: 1.348847388929525
Energy: 1.2288113672824066
Energy: 1.319398641582614
Energy: 1.4352122719648737
Energy: 1.4359403121963354
Energy: 1.3198958315124025
Energy: 1.4334933445345561
Energy: 1.3174331912982213
Energy: 1.1884048115179147
Energy: 1.1836657278193747
Energy: 1.313874803546211
Energy: 1.1846003771207387
Energy: 1.1835365498224468
Energy: 1.3467714509858453
Energy: 1.1896791490310341
Energy: 1.1869393709375504
Energy: 1.3224388581428617
Energy: 1.18005819752274
Energy: 1.1885329444777397
Energy: 1.3930807601300306
Energy: 1.1846137793694014
Energy: 1.1825691755803203
Energy: 1.1894225695403655
Energy: 1.1829955269127388
Energy: 1.1842094658667004
Energy: 1.2691773184052764
Energy: 1.1796812401192152
Energy: 1.1797939222364573
Energy: 1.1805115677212723
Energy: 1.1793364694667445
Energy: 1.1797443643919598
Energy: 1.2683737075109733
Energy: 1.1811082355004499
Energy: 1.180980394468771
Energy: 1.1808123286405314
Energy: 1.1794800830069019
Energy: 1.1808104194128926
Energy: 1.4380924939000936
Energy: 1.3231550192613282
Energy: 1.302139915609421
Energy: 1.1815208455380655
Energy: 1.3215658555870224
Energy: 1.3108639727476876
Energy: 1.441077872552285
Energy: 1.3213373268263806
Energy: 1.3122823716208618
Energy: 1.1824751145517305
Energy: 1.3197796119910556
Energy: 1.3115344891963812
Energy: 1.4319256968806557
Energy: 1.3173272272806673
Energy: 1.186450125529297
Energy: 1.181388772229132
Energy: 1.3122471256668693
Energy: 1.1834330010531686
Energy: 1.4803995726787806
Energy: 1.3259851668779112
Energy: 1.395263946424666
Energy: 1.407052377715936
Energy: 1.3604195098691705
Energy: 1.4096361617455082
Energy: 1.3188078373463816
Energy: 1.2941588180603347
Energy: 1.1913236095500734
Energy: 1.3124816311116143
Energy: 1.3137822281992058
Energy: 1.1841402565488877
Energy: 1.2380383897539864
Energy: 1.32143806942043
Energy: 1.4353900892412916
Energy: 1.43579982660827
Energy: 1.320595727628994
Energy: 1.4333435624460613

minimum gb energy = 1.1791756562857956 eV
minimum distance =  2.33843515050271 Angstroms
sigma value = 17


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

Energy: 1.7719733621894955
Energy: 1.4227524892575067
Energy: 1.4219330005432271
Energy: 1.1409967112046444
Energy: 1.4800236064822896
Energy: 1.1456217410297374
Energy: 1.3506131729429967
Energy: 1.1538022808685837
Energy: 1.1542518541203968
Energy: 1.3857119623489544
Energy: 1.334823344518669
Energy: 1.1551015998013365
Energy: 1.2722284776238355
Energy: 1.112156759232889
Energy: 1.1096453075481274
Energy: 1.181955639504676
Energy: 1.1150373806224247
Energy: 1.1075533817134953
Energy: 1.4360799637632968
Energy: 1.1131867988332478
Energy: 1.1107049939982643
Energy: 1.334964884303344
Energy: 1.111525015395711
Energy: 1.1570812200180713
Energy: 1.4490068448826066
Energy: 1.0763379859373825
Energy: 1.0764005050307819
Energy: 1.1722522200088406
Energy: 1.076840532005473
Energy: 1.0776709756414042
Energy: 1.2473270991007606
Energy: 1.0877939650052282
Energy: 1.0878773603606586
Energy: 1.0636470340664768
Energy: 1.088275093789122
Energy: 1.0532151465105786
Energy: 1.3044337451211183
Energy: 1.054601205155066
Energy: 1.0521993839190265
Energy: 1.0547199680442547
Energy: 1.1363044550331556
Energy: 1.0562983944236755
Energy: 1.2086113630805233
Energy: 1.0521280433313738
Energy: 1.0522941147086908
Energy: 1.0528275084177139
Energy: 1.0538378580038683
Energy: 1.0541840192227117
Energy: 1.1633237146834432
Energy: 1.0517099717080698
Energy: 1.0575148788411102
Energy: 1.1080390719720257
Energy: 1.0523232664673035
Energy: 1.0511240641576582
Energy: 1.2069871003434476
Energy: 1.0888635641887987
Energy: 1.0883902605490001
Energy: 1.0782229098354352
Energy: 1.0895329985670097
Energy: 1.0882837856942418
Energy: 1.2986311194031697
Energy: 1.0794454971556458
Energy: 1.0782006172353258
Energy: 1.0774908531479386
Energy: 1.0796795749961614
Energy: 1.076765544065219
Energy: 1.4262270554998069
Energy: 1.1530906894430721
Energy: 1.1529486819182202
Energy: 1.0944168968604902
Energy: 1.334513877916939
Energy: 1.1569782855435264
Energy: 1.4543463353626056
Energy: 1.1913991502689296
Energy: 1.1916856081289648
Energy: 1.0961456963697027
Energy: 1.180927258979548
Energy: 1.1925209226937585
Energy: 1.4756775556550439
Energy: 1.1949781048268904
Energy: 1.1247813795547377
Energy: 1.3795654494469665
Energy: 1.1895969763257404
Energy: 1.1245392648540187
Energy: 1.4206998639180926
Energy: 1.2731542914312484
Energy: 1.2449704723097585
Energy: 1.1934081153669822
Energy: 1.3118488360290337
Energy: 1.2436524814893606
Energy: 1.5245764021135644
Energy: 1.1540254983598357
Energy: 1.1543954644543168
Energy: 1.1953518783239874
Energy: 1.1930392218185906
Energy: 1.1538478703936976
Energy: 1.504461460333117
Energy: 1.182539058855038
Energy: 1.2887902202261796
Energy: 1.1332652215553818
Energy: 1.191386428592131
Energy: 1.2540125188646996

minimum gb energy = 1.0511240641576582 eV
minimum distance =  2.32402912643062 Angstroms
sigma value = 17


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

Energy: 1.2286174604765034
Energy: 1.2784845728190197
Energy: 1.1270313785975594
Energy: 1.0479227784098435
Energy: 1.4169812810623017
Energy: 1.0420241585258043
Energy: 1.3004237116761126
Energy: 1.0960532912413923
Energy: 1.0431598134819555
Energy: 1.0969390814854025
Energy: 1.0967967809952948
Energy: 1.048037359835568
Energy: 1.6687232787579398
Energy: 0.9773356183154078
Energy: 1.0267430573718466
Energy: 1.0848984340245222
Energy: 0.9779462990705854
Energy: 1.0247037510589951
Energy: 1.4184612151770326
Energy: 1.027097240025749
Energy: 1.0260400357051447
Energy: 1.085242569646281
Energy: 0.9675849842931227
Energy: 1.0246684844913567
Energy: 1.2820806081302332
Energy: 0.9926396371969165
Energy: 0.9936938846410854
Energy: 1.0159554295835758
Energy: 0.9928917948082431
Energy: 0.9949053491345152
Energy: 1.1896769670730027
Energy: 0.9920351834300785
Energy: 0.965838881714574
Energy: 0.971961618163556
Energy: 0.9917184160119351
Energy: 0.9666313017116039
Energy: 1.2091575868801336
Energy: 0.9955514552072212
Energy: 0.9632250543868429
Energy: 0.9675372389297391
Energy: 0.999852834603207
Energy: 0.963808418415037
Energy: 1.196839147063045
Energy: 0.9490062021744933
Energy: 0.9558642936475199
Energy: 0.9634236214541332
Energy: 0.9515209209383565
Energy: 0.9600632230706814
Energy: 1.2306483287192875
Energy: 0.9581553393704965
Energy: 0.957904581428458
Energy: 1.2317490628214218
Energy: 0.9692078545225905
Energy: 0.9678280299434417
Energy: 1.2152430428778906
Energy: 0.964055713870112
Energy: 0.9640156653757908
Energy: 0.98681741668385
Energy: 0.9637633668182088
Energy: 0.9638432952162961
Energy: 1.0922504770920718
Energy: 0.9586690214891074
Energy: 0.9611923305763722
Energy: 0.9587565324432649
Energy: 0.98310478299067
Energy: 0.9619902658329207
Energy: 1.2248813532539795
Energy: 0.9689757207071888
Energy: 0.9564835969275498
Energy: 0.9707221665524332
Energy: 1.106656100791107
Energy: 0.9568179603797017
Energy: 1.1518085330376955
Energy: 0.9553507025740168
Energy: 0.9547790649601311
Energy: 0.9587576821183884
Energy: 0.9663529633292143
Energy: 0.955153577658148
Energy: 1.2639452510908529
Energy: 0.9633477636950916
Energy: 0.963394579711454
Energy: 0.9979977167450894
Energy: 0.9657522792159042
Energy: 0.9635633253129671
Energy: 1.2625200733251316
Energy: 0.977672772097639
Energy: 0.9775667117667269
Energy: 0.9928123871021289
Energy: 0.9779240022182535
Energy: 0.9945281687370079
Energy: 1.261290924993378
Energy: 0.993714776580433
Energy: 0.9951238120307055
Energy: 0.9956769581259265
Energy: 1.0619807596099204
Energy: 0.9948998271527933
Energy: 1.2297106996175287
Energy: 1.0860613182334322
Energy: 1.09626270777992
Energy: 1.0049900761502062
Energy: 1.0858793578294044
Energy: 1.0028432386003732
Energy: 1.2828130202307415
Energy: 1.086018711521054
Energy: 1.0869806941942861
Energy: 0.9989191179977468
Energy: 1.0856789418286739
Energy: 1.0019612200470909
Energy: 1.4409843924635026
Energy: 1.0960400799904741
Energy: 1.0458115669515804
Energy: 1.0873564571987782
Energy: 1.0008317823975743
Energy: 0.9949269705900645
Energy: 1.5430308523910248
Energy: 1.0444052776458392
Energy: 1.0436190566298618
Energy: 1.083660202666289
Energy: 1.0462493951136302
Energy: 1.1460341219119845
Energy: 1.4490705961737225
Energy: 1.0976591790541943
Energy: 1.0485238613114838
Energy: 1.101036623055759
Energy: 1.0980917663758611
Energy: 1.047559445629995
Energy: 1.2291747019003896
Energy: 1.145201177317869
Energy: 1.1495353428820858
Energy: 1.0411028458237732
Energy: 1.145406280118931
Energy: 1.038035062066438
Energy: 1.4024689220074635
Energy: 1.0984721624906284
Energy: 1.045241095783952
Energy: 1.0407913306087346
Energy: 1.0872367647345795
Energy: 1.063270857700321
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Energy: 1.00828340056896
Energy: 1.0422105783078888
Energy: 1.086130421649763
Energy: 0.9861145104592304
Energy: 1.086649254315753
Energy: 1.4162232295082275
Energy: 0.9779592739876318
Energy: 1.0267253810616856
Energy: 1.0860472588846923
Energy: 0.9795882071240902
Energy: 1.025664673580971
Energy: 1.4205257199015495
Energy: 1.0031979222497145
Energy: 1.0032324930892464
Energy: 1.0410748359214528
Energy: 1.0037601403126533
Energy: 0.9950237023249645
Energy: 1.1907549722571278
Energy: 0.9941684108589663
Energy: 0.9936359371617802
Energy: 0.9710598803557792
Energy: 0.9936901535299094
Energy: 1.002538919441949
Energy: 1.2108859989287961
Energy: 0.9935484521845147
Energy: 0.9937033083403903
Energy: 1.014669003252162
Energy: 0.9929728919048577
Energy: 0.9977397494210176
Energy: 1.1946078271395077
Energy: 0.9585803224367724
Energy: 0.9581078782903223
Energy: 0.9585832229476232
Energy: 0.9584264445415533
Energy: 0.9576743366711384
Energy: 1.2204245742055315
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Energy: 0.9561581654973205
Energy: 1.101854713194108
Energy: 0.950800289267832
Energy: 0.955230565721748
Energy: 1.2241305115342827
Energy: 0.9538859559415833
Energy: 0.954768924835881
Energy: 1.224961175185624
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Energy: 0.9551211270954647
Energy: 1.0980086017077815
Energy: 0.9550454846391659
Energy: 0.9554921283254182
Energy: 0.9525645524645263
Energy: 0.955850339639943
Energy: 0.957080478860612
Energy: 1.2197711529500526
Energy: 1.1069610171678659
Energy: 1.1060984453588611
Energy: 0.9514028318659853
Energy: 1.2274105475216415
Energy: 1.1005857009554143
Energy: 1.1497281905160632
Energy: 0.9630281619933059
Energy: 0.9636914404578614
Energy: 0.9615470150733185
Energy: 0.9685305188627983
Energy: 0.9636458930967697
Energy: 1.2645520007619513
Energy: 0.9626600343986507
Energy: 0.9624274072106179
Energy: 1.1331251319272386
Energy: 0.960828957233731
Energy: 0.9622780858438248
Energy: 1.2627175316708805
Energy: 0.9649170745063885
Energy: 0.9943405101449335
Energy: 0.9926222888997087
Energy: 0.9653752668696236
Energy: 0.9928750216557848
Energy: 1.1373368828036758
Energy: 0.9952419243053626
Energy: 0.9940527007447248
Energy: 0.992051516173171
Energy: 0.9961979709307697
Energy: 0.9926979196871472
Energy: 1.2212849683042948
Energy: 1.0858220930224507
Energy: 1.041152745741618
Energy: 0.9936399538333284
Energy: 1.0856893060992931
Energy: 1.0049920105401524
Energy: 1.2092054177004898
Energy: 1.0851702280959112
Energy: 1.0449352421871425
Energy: 1.006677269323331
Energy: 1.0845336101917098
Energy: 1.0383676442361929
Energy: 1.4338374602586736
Energy: 1.1009725487902193
Energy: 1.0971779333842688
Energy: 1.0036418464493904
Energy: 1.10076495986163
Energy: 1.0478512578704446
Energy: 1.5760514777103976
Energy: 1.016305212071043
Energy: 1.1648970855628724
Energy: 1.145009863162217
Energy: 1.016899005096044
Energy: 1.1639918628804387
Energy: 1.5470815178542565
Energy: 1.0789822713555026
Energy: 1.052588412950747
Energy: 1.085310779345452
Energy: 1.022577588402651
Energy: 1.0866853019015004
Energy: 1.4016226419656883
Energy: 1.0849865011962259
Energy: 1.0869105417811953
Energy: 1.0914941459769443
Energy: 1.0844226895416462
Energy: 1.1214752884453152

minimum gb energy = 0.9490062021744933 eV
minimum distance =  2.32926703366634 Angstroms
sigma value = 57


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

Energy: 1.1233821844511152
Energy: 1.1534993771385518
Energy: 1.0348171898478713
Energy: 0.919764510517297
Energy: 1.3060700688590594
Energy: 1.0355297924342743
Energy: 1.2323688017524053
Energy: 0.9320649368800943
Energy: 0.9313924772191188
Energy: 1.0056772135884278
Energy: 1.023779721468943
Energy: 0.9679872099243506
Energy: 1.581514914387761
Energy: 0.8998156969272755
Energy: 0.8995060804811958
Energy: 0.9974124715059427
Energy: 0.8995741718342813
Energy: 0.9463891212437844
Energy: 1.3348476094271655
Energy: 0.8993005822776123
Energy: 0.9470368545468301
Energy: 0.9985516964555714
Energy: 0.8897859621785419
Energy: 0.9456877351406767
Energy: 1.1912603495859444
Energy: 0.9343325916630095
Energy: 0.9330352056168038
Energy: 0.9350522616687251
Energy: 0.9347910303391593
Energy: 0.9186198501084317
Energy: 1.1058830473695265
Energy: 0.9165881015631754
Energy: 0.8936801525609147
Energy: 0.8794369065608377
Energy: 0.9163774316827228
Energy: 0.8952315327337032
Energy: 1.1370868799269942
Energy: 0.9332204107109567
Energy: 0.9058745240287408
Energy: 0.8858577458889905
Energy: 0.9316216431651937
Energy: 0.8850491309357537
Energy: 1.1378958428013217
Energy: 0.8711996012646401
Energy: 0.8716097877570591
Energy: 0.8933766804324599
Energy: 0.869865064320608
Energy: 0.8791038710038824
Energy: 1.140941058105758
Energy: 0.8859308189340189
Energy: 0.8815862247933833
Energy: 1.141723000036537
Energy: 0.8804694102135032
Energy: 0.8937528587670207
Energy: 1.1550651517458033
Energy: 0.8700640724609852
Energy: 0.869703169853621
Energy: 1.0005902656579773
Energy: 0.8687782101585888
Energy: 0.8696282967853225
Energy: 1.1188286391148587
Energy: 0.8621523479187139
Energy: 0.8616423980869339
Energy: 0.8632907605751027
Energy: 0.9877850158419914
Energy: 0.8619402689246263
Energy: 1.1412313968757521
Energy: 1.0906092433722239
Energy: 0.8748336467934075
Energy: 0.8710239999831236
Energy: 1.1199337303614352
Energy: 0.8753355205978324
Energy: 1.0922051739347776
Energy: 1.0149983733920038
Energy: 1.0130332603586854
Energy: 0.8641421988142466
Energy: 1.0142418676369926
Energy: 0.864951123282015
Energy: 1.1136084406246025
Energy: 0.8695993488158369
Energy: 0.8708079254056061
Energy: 1.1155381757328102
Energy: 0.868374627644989
Energy: 1.0952783884764479
Energy: 1.1119552865068496
Energy: 0.8655980706773323
Energy: 0.8630565040233513
Energy: 0.9529300660780451
Energy: 0.8647512626459563
Energy: 0.8618955792524479
Energy: 1.1590070315702248
Energy: 0.9030163756170455
Energy: 0.8758534816605914
Energy: 0.8666741229639952
Energy: 1.0083250610119072
Energy: 0.876149766259545
Energy: 1.1155856927771717
Energy: 0.8767722611351018
Energy: 0.8791802439941548
Energy: 0.8666191685672132
Energy: 1.0155332098951668
Energy: 0.8799582766401615
Energy: 1.0881412046104373
Energy: 0.8791574725765636
Energy: 0.8793335937679809
Energy: 0.9201968909062697
Energy: 0.8793158443068847
Energy: 0.8805133665374462
Energy: 1.1942785729510461
Energy: 0.886902856255704
Energy: 0.8869876193705449
Energy: 0.9341727133124815
Energy: 0.8962497606718604
Energy: 0.9326228300730878
Energy: 1.1959224805246427
Energy: 0.9069466825662647
Energy: 0.8882931628969511
Energy: 0.9289848676109184
Energy: 0.8817590703590277
Energy: 0.9301239271471421
Energy: 1.3525216687806327
Energy: 0.9316433621762307
Energy: 0.927680541664767
Energy: 0.9299255164774513
Energy: 0.9298580635053366
Energy: 0.9292999298414348
Energy: 1.1137449895153528
Energy: 0.9986497462312618
Energy: 0.9229598968310686
Energy: 0.8891973392060732
Energy: 0.9979707471240794
Energy: 0.9241209546220642
Energy: 1.214283033835898
Energy: 0.9977434746173629
Energy: 0.9982442614840197
Energy: 0.946867731667092
Energy: 0.9977876869711467
Energy: 0.9987149695665924
Energy: 1.462630398394488
Energy: 0.9305964565358225
Energy: 0.9173276321220049
Energy: 0.9345343321114995
Energy: 0.9385393936728894
Energy: 0.9183533321351294
Energy: 1.5550198966988296
Energy: 0.935540707487463
Energy: 0.959171437266801
Energy: 1.0244278993239013
Energy: 0.9330745544642981
Energy: 1.0589883041381607
Energy: 1.5913217748555617
Energy: 1.0088815303777556
Energy: 1.0036639646166052
Energy: 1.0082197276839544
Energy: 1.007779850245061
Energy: 0.9691715880636402
Energy: 1.1200402898608175
Energy: 1.0245505238088133
Energy: 0.9904543766891521
Energy: 0.9072860541545413
Energy: 1.0236549669735489
Energy: 0.9602352592696104

minimum gb energy = 0.8616423980869339 eV
minimum distance =  2.34025808834711 Angstroms
sigma value = 43


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

Energy: 0.9365624928189407
Energy: 0.9678673065841753
Energy: 0.9049020279663061
Energy: 0.777195945149334
Energy: 1.0081083679253988
Energy: 0.866448536258246
Energy: 1.249731630504557
Energy: 0.7450370095470281
Energy: 0.7464195578709331
Energy: 0.8014644599925522
Energy: 0.7440179129562202
Energy: 0.7484594983290318
Energy: 1.3183952591748644
Energy: 0.7467726571636786
Energy: 0.7593066352197353
Energy: 0.7986471592074067
Energy: 0.7461367996658642
Energy: 0.7592061518611145
Energy: 1.152120868570352
Energy: 0.7595357411427011
Energy: 0.7594029485445358
Energy: 0.7451033313511162
Energy: 0.9172858971547221
Energy: 0.7754620081880271
Energy: 1.0330278506450463
Energy: 0.7456875569723107
Energy: 0.7464702710283255
Energy: 0.7523623223041486
Energy: 0.7458507001401975
Energy: 0.7475710362711326
Energy: 0.9135134244984945
Energy: 0.7471836826979111
Energy: 0.7404607522123886
Energy: 0.822090491463128
Energy: 0.7471263905333896
Energy: 0.7326393553035134
Energy: 1.1497977661671295
Energy: 0.7469098050309223
Energy: 0.744813188519707
Energy: 0.7258241454279192
Energy: 0.7463080625253167
Energy: 0.7236185705674455
Energy: 1.1483713378978582
Energy: 0.717977143041803
Energy: 0.7184733068934409
Energy: 0.8535218362322986
Energy: 0.7171262207312149
Energy: 0.7801162157125014
Energy: 0.9754669404498334
Energy: 0.7205441246508508
Energy: 0.7230355517503565
Energy: 0.8154591118811942
Energy: 0.7311385462024099
Energy: 0.8149297870726405
Energy: 1.0292910549554088
Energy: 0.7147705713454002
Energy: 0.7140851400710422
Energy: 0.7237432102955685
Energy: 0.7148766046588054
Energy: 0.7126285584677979
Energy: 0.9069635756368021
Energy: 0.7620572251422322
Energy: 0.7057163360148363
Energy: 0.7100058074418435
Energy: 0.7668790660114001
Energy: 0.7051017877257296
Energy: 0.974227867459202
Energy: 0.8862369922014742
Energy: 0.7077419346691921
Energy: 0.7110104447176766
Energy: 0.7933521774478444
Energy: 0.7099281862423832
Energy: 0.9764360333368066
Energy: 0.7996676513891088
Energy: 0.8053015728522698
Energy: 0.7137655197835123
Energy: 0.7932823734063974
Energy: 0.8015504546506057
Energy: 0.9189963008339954
Energy: 0.7842136893659979
Energy: 0.8612141170118762
Energy: 0.8650125015157439
Energy: 0.7931008321230315
Energy: 0.8677315961215565
Energy: 0.9182931844975447
Energy: 0.7065433274928306
Energy: 0.706505564353073
Energy: 0.8624748753579806
Energy: 0.7059756439750092
Energy: 0.7011545345124217
Energy: 0.9130028735507124
Energy: 0.839129813833511
Energy: 0.6980339591646115
Energy: 0.6998501133331182
Energy: 0.8880882483968345
Energy: 0.6974110165283007
Energy: 0.9241420484217431
Energy: 0.8661303448683754
Energy: 0.7553508284046291
Energy: 0.704072429784085
Energy: 0.8585695442212233
Energy: 0.7029244921883027
Energy: 0.9093020936456051
Energy: 0.7901012281268487
Energy: 0.7042602617171175
Energy: 0.7979714059866658
Energy: 0.784628757158906
Energy: 0.7020123664369213
Energy: 0.9083736811257568
Energy: 0.7858484178847264
Energy: 0.8517628228463269
Energy: 0.8564046891673941
Energy: 0.7852980427895601
Energy: 0.8579019083217778
Energy: 0.9090465146464972
Energy: 0.7871547241699535
Energy: 0.7165073624544521
Energy: 0.6975747046644759
Energy: 0.7874983446996149
Energy: 0.7153711012155155
Energy: 0.9443412820469649
Energy: 0.7517553633748364
Energy: 0.7131879294356149
Energy: 0.7105713886065966
Energy: 0.8629582311747713
Energy: 0.709989413934829
Energy: 0.9117885229905631
Energy: 0.8013414978291743
Energy: 0.6985077871067384
Energy: 0.7017353226765655
Energy: 0.8803424364090333
Energy: 0.6987412096757243
Energy: 0.9393164698908404
Energy: 0.7002605508638197
Energy: 0.7076925553011594
Energy: 0.7962985239834124
Energy: 0.7003938468341592
Energy: 0.7071724060646871
Energy: 0.9397473351769255
Energy: 0.7994508481366762
Energy: 0.8819452057012113
Energy: 0.7945153530415118
Energy: 0.7179293712726456
Energy: 0.8831004485716428
Energy: 1.027074114315577
Energy: 0.8042125794644098
Energy: 0.8167514865042433
Energy: 0.7119133744787106
Energy: 0.8034955839091261
Energy: 0.8174999893353225
Energy: 1.028741447432702
Energy: 0.8144379634756642
Energy: 0.7261959083993499
Energy: 0.7069103183996827
Energy: 0.7213160712687602
Energy: 0.7062962882098213
Energy: 0.9107899408987588
Energy: 0.7204653198833779
Energy: 0.7209909564349118
Energy: 0.7188116644028891
Energy: 0.7248884493241934
Energy: 0.7177805540754092
Energy: 1.005082169866796
Energy: 0.7209016582989318
Energy: 0.7218860161424179
Energy: 0.7492115202783232
Energy: 0.7203121154880732
Energy: 0.7223283116228185
Energy: 1.027660811911558
Energy: 0.7395103335206695
Energy: 0.7456820344869095
Energy: 0.7448084824404094
Energy: 0.7412737558823908
Energy: 0.74514553994808
Energy: 1.2506486507716643
Energy: 0.7335491711218065
Energy: 0.7389260857030222
Energy: 0.8159376486846484
Energy: 0.7313553429086678
Energy: 0.7945294816663926
Energy: 1.2456464141648405
Energy: 0.7511790211863119
Energy: 0.7504074533420151
Energy: 0.7440462527158961
Energy: 0.7511276887033355
Energy: 0.7449804620135076
Energy: 0.9237579276420058
Energy: 0.7981112161865002
Energy: 0.7695633294968908
Energy: 0.7938698849408307
Energy: 0.7990898570204251
Energy: 0.8165136052507705
Energy: 1.0540053133667735
Energy: 0.8016866201747541
Energy: 0.8022674886954466
Energy: 0.7750905503986313
Energy: 0.7935207297379425
Energy: 0.7982090641776166
Energy: 1.2518612321000937
Energy: 0.79126019717507
Energy: 0.7914064787624885
Energy: 0.7833611098834203
Energy: 0.9466378354770107
Energy: 0.8257173112428349
Energy: 1.3168954097342358
Energy: 0.7709382397079465
Energy: 0.7921855659133852
Energy: 0.8452835179279364
Energy: 0.8565089674055181
Energy: 0.7915928714564963
Energy: 1.310996213498387
Energy: 0.8024762379614913
Energy: 0.8023521223857932
Energy: 0.8017239074219158
Energy: 0.8020560545938225
Energy: 0.7472004640663572

minimum gb energy = 0.6974110165283007 eV
minimum distance =  2.35246834503218 Angstroms
sigma value = 81


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

Energy: 0.7452114985288231
Energy: 0.8035144966192863
Energy: 0.019668244427425662
Energy: 0.0220874620094805
Energy: 1.0686770387878157
Energy: 0.7457245649003166
Energy: 0.7997672970889149
Energy: 1.2530947901432092
Energy: 1.036756592914311
Energy: 1.0661314309849672
Energy: 1.0651831197969894
Energy: 1.2536269023704958
Energy: 1.3797496776459026
Energy: 0.01954810901949981
Energy: 0.019663729694774822
Energy: 1.100124797712715
Energy: 0.019446557830425325
Energy: 0.07517123293090543
Energy: 1.434537628923957
Energy: 0.019641077499466954
Energy: 0.019480532823004583
Energy: 1.2169702916512375
Energy: 0.019467695096793608
Energy: 0.07462217049616904
Energy: 0.0737448634190917
Energy: 1.2680377534793652
Energy: 1.2153554477247628
Energy: 0.07520797228497764
Energy: 1.261437916281196
Energy: 1.2656532079074385
Energy: 0.020442479711752982
Energy: 1.4525347998610416
Energy: 0.01954021319742632
Energy: 0.022431090710969152
Energy: 1.452973222153413
Energy: 0.019574716614778036
Energy: 1.4889777964191877
Energy: 1.218423736125855
Energy: 1.2526496786692696
Energy: 1.264402232539771
Energy: 1.257130960967762
Energy: 1.2178992684211805
Energy: 1.4735604900300636
Energy: 0.01948831568646824
Energy: 0.019539963019801633
Energy: 1.2654688329716417
Energy: 0.019212817940916962
Energy: 0.01951549946138664
Energy: 1.3443332494444178
Energy: 0.01979588459510149
Energy: 0.07612175681461891
Energy: 1.0697015550093356
Energy: 0.019486440789386793
Energy: 0.07671444525247528
Energy: 0.7462178272219401
Energy: 1.0853126646460516
Energy: 1.0421303746103532
Energy: 0.01958886928292413
Energy: 1.0924957522776537
Energy: 1.263856555335444

minimum gb energy = 0.019212817940916962 eV
minimum distance =  2.30747565765186 Angstroms
sigma value = 3


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

Energy: 0.8984572765437645
Energy: 0.9346678341026748
Energy: 0.8862880402715857
Energy: 0.8283023926399887
Energy: 0.8924476331702532
Energy: 0.8384760411509571
Energy: 0.9512643720974706
Energy: 0.9059315626428404
Energy: 0.9033107560672952
Energy: 0.9099182588111318
Energy: 0.9179590021343615
Energy: 0.9022937468277029
Energy: 0.9572886650554603
Energy: 0.8507749838974423
Energy: 0.8510982748856211
Energy: 0.916301103414371
Energy: 0.8521311281182006
Energy: 0.8839125429813833
Energy: 0.9286890245684535
Energy: 0.8517810867287372
Energy: 0.8522869547153005
Energy: 0.9074336071472745
Energy: 0.8559101223991807
Energy: 0.8848144465356603
Energy: 0.8754199394179877
Energy: 0.9074459810947034
Energy: 0.9040433246201609
Energy: 0.8756032019266025
Energy: 0.916172231169082
Energy: 0.9026323503338997
Energy: 0.8597573890609984
Energy: 0.9085246302628478
Energy: 0.8773832430520662
Energy: 0.7989384107342246
Energy: 0.9081629595680011
Energy: 0.8366462373493248
Energy: 0.9324658530238884
Energy: 0.9178371914052393
Energy: 0.9139543181238372
Energy: 0.9125456439963323
Energy: 0.9180446411854755
Energy: 0.9070726068259471
Energy: 0.9296138258376155
Energy: 0.8592738174862882
Energy: 0.8601636950623944
Energy: 0.9139976246412421
Energy: 0.8203068199688338
Energy: 0.8612912505655576
Energy: 0.9210021275175595
Energy: 0.8626449760573681
Energy: 0.8907043208503597
Energy: 0.914526142587823
Energy: 0.8883809325971289
Energy: 0.9094465350501579
Energy: 0.908187280121631
Energy: 0.8804735639909526
Energy: 0.8748192136383245
Energy: 0.9080398522128355
Energy: 0.8901249358420752
Energy: 0.8837449113663929
Energy: 0.8759045756204014
Energy: 0.8770487716042207
Energy: 0.8782127151429512
Energy: 0.7927888285090027
Energy: 0.8948936624303185
Energy: 0.840325714842443
Energy: 0.8361119952693105
Energy: 0.8912558025912161
Energy: 0.8934349067918073
Energy: 0.8359651527306103
Energy: 0.8902301069534151
Energy: 0.8332214879829827
Energy: 0.8338688985982411
Energy: 0.8261685590344526
Energy: 0.8558546186589506
Energy: 0.8338544316170877
Energy: 0.7761536727308378
Energy: 0.8569716928207943
Energy: 0.8797941023037855
Energy: 0.8587939425515587
Energy: 0.857197091823926
Energy: 0.8436424023212024
Energy: 0.8222901836294995
Energy: 0.863264193612569
Energy: 0.8779157851286815
Energy: 0.7996529654256498
Energy: 0.7992501998530728
Energy: 0.8777948252070457
Energy: 0.8120484620856512
Energy: 0.800550156087908
Energy: 0.8764733183413539
Energy: 0.8381585841243525
Energy: 0.8466987941298546
Energy: 0.8404038105385156
Energy: 0.874484002060008
Energy: 0.8393002570690232
Energy: 0.7840741307439844
Energy: 0.8482955656668469
Energy: 0.8458427523446351
Energy: 0.7840392336855909
Energy: 0.8390740766923117
Energy: 0.7843737773046293
Energy: 0.7842122469082371
Energy: 0.8350085085138863
Energy: 0.8354233534136425
Energy: 0.7842848581003141
Energy: 0.7874020979882784
Energy: 0.8360429530762973
Energy: 0.8670761713422191
Energy: 0.8696027785946628
Energy: 0.8340795292971255
Energy: 0.789809429014514
Energy: 0.8742247680066246
Energy: 0.8350001040908082
Energy: 0.877321149649716
Energy: 0.7836014293665916
Energy: 0.7828522932191816
Energy: 0.876240379701674
Energy: 0.7954782911686893
Energy: 0.783703342605562
Energy: 0.8763604301938099
Energy: 0.8377285129102245
Energy: 0.8472541002672033
Energy: 0.8741455528478531
Energy: 0.8418013377394927
Energy: 0.8449121770470629
Energy: 0.8021316135738761
Energy: 0.8375462454168164
Energy: 0.8465953648144378
Energy: 0.8013334786104597
Energy: 0.8410095431813646
Energy: 0.8010390209970897
Energy: 0.802890593700352
Energy: 0.8599781354222844
Energy: 0.8603172180694297
Energy: 0.8030086931752138
Energy: 0.8586964618366882
Energy: 0.8590304087166641
Energy: 0.8774721679345502
Energy: 0.8371853263652028
Energy: 0.8582633017560497
Energy: 0.8411052650263448
Energy: 0.8361483816769718
Energy: 0.8403518949008858
Energy: 0.9051309207570771
Energy: 0.8323968263530268
Energy: 0.831883276629166
Energy: 0.9062635034097877
Energy: 0.8342867374744017
Energy: 0.8440264146518358
Energy: 0.9019786814759678
Energy: 0.857570833993353
Energy: 0.8586118340157796
Energy: 0.9034278811441683
Energy: 0.8229440244636419
Energy: 0.8792933880715483
Energy: 0.8875342589132446
Energy: 0.8580507955963373
Energy: 0.858938997902057
Energy: 0.8807653800386537
Energy: 0.8986312166724544
Energy: 0.8842679993304644
Energy: 0.8464541935546468
Energy: 0.9087666806810206
Energy: 0.9089640646286548
Energy: 0.846683005921572
Energy: 0.9078811487299766
Energy: 0.9082775175679642
Energy: 0.8724231283644053
Energy: 0.907351450559251
Energy: 0.8860353311856286
Energy: 0.7930512718915572
Energy: 0.9132258601135232
Energy: 0.8408862054412588
Energy: 0.9023356826284692
Energy: 0.9093754503638787
Energy: 0.9057860358716598
Energy: 0.9020236817154232
Energy: 0.9134830274130985
Energy: 0.9074874803936883
Energy: 0.9103079077199772
Energy: 0.8589702047554535
Energy: 0.8589021420230926
Energy: 0.9094781812295585
Energy: 0.8166475433867512
Energy: 0.8591354842519915
Energy: 0.9592625571488995
Energy: 0.8623741009739754
Energy: 0.903107406094865
Energy: 0.907761748308159
Energy: 0.8787540865203808
Energy: 0.9041123113560794
Energy: 0.8593445332160274
Energy: 0.9095915664655941
Energy: 0.908123275782427
Energy: 0.8593632905631143
Energy: 0.9092393031119972
Energy: 0.892739028240193

minimum gb energy = 0.7761536727308378 eV
minimum distance =  2.27873793530171 Angstroms
sigma value = 67


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

Energy: 1.1289330459193123
Energy: 1.1183861676493883
Energy: 1.1176273240291765
Energy: 1.0593237046637265
Energy: 1.1027026091926027
Energy: 1.1181241668176345
Energy: 1.1573659927602482
Energy: 1.1177863058226116
Energy: 1.093276338241007
Energy: 1.1130566825572827
Energy: 1.1115725465289035
Energy: 1.089726515818276
Energy: 1.2070743473515455
Energy: 1.0674125076812282
Energy: 1.075162710993584
Energy: 1.1043612635711355
Energy: 1.0688046564480007
Energy: 1.075894972614091
Energy: 1.1313880804990406
Energy: 1.0771051333713588
Energy: 1.076450281137197
Energy: 1.109640588204203
Energy: 1.0759070580102748
Energy: 1.0778014473174955
Energy: 1.1324763179428166
Energy: 1.112390402203213
Energy: 1.115288727250016
Energy: 1.1063900917054135
Energy: 1.1116103457506916
Energy: 1.0931630899716935
Energy: 1.0695475947864668
Energy: 1.0910896555718916
Energy: 1.0817505048982952
Energy: 1.0754462909341584
Energy: 1.0897208462062713
Energy: 1.0811893313715437
Energy: 1.1398383982642668
Energy: 1.1137420167498142
Energy: 1.1167208767071928
Energy: 1.115323116884079
Energy: 1.1137650996234663
Energy: 1.1009884681078923
Energy: 1.1360188387835741
Energy: 1.0749278293895514
Energy: 1.0846559571347503
Energy: 1.1158195168154132
Energy: 1.0581930441436953
Energy: 1.09865438417701
Energy: 1.1136711195984685
Energy: 1.0980773501723315
Energy: 1.1142953217754183
Energy: 1.1092946644711605
Energy: 1.117354957235173
Energy: 1.1118139279373025
Energy: 1.1126225155752019
Energy: 1.085185180220088
Energy: 1.0943507571881737
Energy: 1.1129609838293135
Energy: 1.09796418163832
Energy: 1.1009578781479856
Energy: 1.0982698374281643
Energy: 1.0934754099982962
Energy: 1.092970929980101
Energy: 1.0641206434119865
Energy: 1.1013044292201313
Energy: 1.086142771250913
Energy: 1.0727808699987176
Energy: 1.0926238037015235
Energy: 1.0928329149555038
Energy: 1.0589860869497603
Energy: 1.085665091072516
Energy: 1.061672262870733
Energy: 1.0580001217120647
Energy: 1.0947451357449243
Energy: 1.0845988507773592
Energy: 1.0583021471313034
Energy: 1.0656485964121079
Energy: 1.070286104137481
Energy: 1.0965518113071568
Energy: 1.085897596443697
Energy: 1.0836460792745046
Energy: 1.0638309868789455
Energy: 1.1024550714723353
Energy: 1.0834895477277795
Energy: 1.1015908947297102
Energy: 1.0703491699444294
Energy: 1.0759259294395287
Energy: 1.1023257150395427
Energy: 1.065781496399173
Energy: 1.0571200297064438
Energy: 1.1028605441596644
Energy: 1.0956067487601884
Energy: 1.0924465577749267
Energy: 1.0922253390032697
Energy: 1.1108667363359719
Energy: 1.09045046071277
Energy: 1.090351992607818
Energy: 1.0804322959795503
Energy: 1.0807282572042887
Energy: 1.0915498640036607
Energy: 1.0550216499842229
Energy: 1.0912973803299935
Energy: 1.089862531537169
Energy: 1.112753934948737
Energy: 1.1138363245945373
Energy: 1.0907219632201315
Energy: 1.1149052314502497
Energy: 1.103754442955142
Energy: 1.076506165687379
Energy: 1.1024973485160248
Energy: 1.0871676512730826
Energy: 1.068009233591729
Energy: 1.1025847856145432
Energy: 1.0874288162193626
Energy: 1.1059317161635853
Energy: 1.1075231190861583
Energy: 1.1136806764971874
Energy: 1.1071684116518175
Energy: 1.1207194886048388
Energy: 1.115756658307053
Energy: 1.1056099765303524
Energy: 1.0963612483708889
Energy: 1.0945099356244288
Energy: 1.1061439744416737
Energy: 1.0770543429690267
Energy: 1.1129345879221784
Energy: 1.2082531847217501
Energy: 1.0719153400153383
Energy: 1.094271130803033
Energy: 1.101527920572166
Energy: 1.073396740625721
Energy: 1.093312496673355
Energy: 1.1570304681698507
Energy: 1.117474753531083
Energy: 1.119970642116765
Energy: 1.1013089302435637
Energy: 1.112248191025103
Energy: 1.1052635368950667

minimum gb energy = 1.0550216499842229 eV
minimum distance =  2.28722825635403 Angstroms
sigma value = 33


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

Energy: 1.4575773774200003
Energy: 1.380471265395431
Energy: 1.4355012706781665
Energy: 1.2592299269617602
Energy: 1.3253814249103655
Energy: 1.3854126352163396
Energy: 1.5230772355256128
Energy: 1.3143179525868216
Energy: 1.297801871976941
Energy: 1.3119280868892689
Energy: 1.3072734476224495
Energy: 1.297264224059394
Energy: 1.624930280954963
Energy: 1.4087745662399005
Energy: 1.3970134677388448
Energy: 1.3015188917072773
Energy: 1.3793999653150626
Energy: 1.3977778229659656
Energy: 1.5039735504803322
Energy: 1.383962932337483
Energy: 1.3724893319336295
Energy: 1.4556826230618012
Energy: 1.3697631043882008
Energy: 1.3727784036691708
Energy: 1.450015100767962
Energy: 1.300646807670267
Energy: 1.2981409262069796
Energy: 1.44556684235321
Energy: 1.312810942531624
Energy: 1.2979390427686897
Energy: 1.3730200509197446
Energy: 1.453733541978657
Energy: 1.2978403556280533
Energy: 1.3468842789217683
Energy: 1.454216414709019
Energy: 1.3828325762788296
Energy: 1.5008749925963007
Energy: 1.45833083011372
Energy: 1.4555407490996244
Energy: 1.4564914058318543
Energy: 1.4558026643680582
Energy: 1.3142826175310733
Energy: 1.5004158725054897
Energy: 1.4393078090883467
Energy: 1.4539443783654593
Energy: 1.4593150639746755
Energy: 1.4367920640122285
Energy: 1.4461284478245442
Energy: 1.4822745867867064
Energy: 1.4453729603530314
Energy: 1.447405498238727
Energy: 1.4829217739559846
Energy: 1.4482158065231376
Energy: 1.4830238622987248
Energy: 1.4811717661984574
Energy: 1.4352415009440187
Energy: 1.4359345039230413
Energy: 1.4815605202432636
Energy: 1.4454107473088538
Energy: 1.4363901842657336
Energy: 1.4768957188257201
Energy: 1.4861525243240503
Energy: 1.4385499839315832
Energy: 1.4775531746175161
Energy: 1.4705502771354415
Energy: 1.4740781392926803
Energy: 1.459290271772862
Energy: 1.449610109153686
Energy: 1.4766334896551983
Energy: 1.4583312736724476
Energy: 1.3604468108908365
Energy: 1.4637446719109466
Energy: 1.4582013692035432
Energy: 1.4671832358475059
Energy: 1.4693423092330846
Energy: 1.4592812212686124
Energy: 1.467972011823611
Energy: 1.470991567048424
Energy: 1.3885071002367446
Energy: 1.4658209641911477
Energy: 1.4671228253920843
Energy: 1.361643328214452
Energy: 1.4649180945955542
Energy: 1.3723880984199235
Energy: 1.407014100168281
Energy: 1.5076323897341029
Energy: 1.509943827735034
Energy: 1.4044308259636222
Energy: 1.5229261786583475
Energy: 1.4908465954334764
Energy: 1.4781634546312814
Energy: 1.3981225785850218
Energy: 1.3969738419545343
Energy: 1.480832633779517
Energy: 1.390446300434385
Energy: 1.4620534858029963
Energy: 1.6042046378010364
Energy: 1.374000245862861
Energy: 1.3969985511708514
Energy: 1.5505276661921115
Energy: 1.3754192802115257
Energy: 1.4049692212855005
Energy: 1.6027331997689054
Energy: 1.51612351967189
Energy: 1.5057116786020426
Energy: 1.4544949370438676
Energy: 1.5137904614580564
Energy: 1.5028911867255876
Energy: 1.2318421794623668
Energy: 1.4966733175713085
Energy: 1.2709533721871806
Energy: 1.2518503033016386
Energy: 1.4986043976173413
Energy: 1.2647510544824767
Energy: 1.3749138143044723
Energy: 1.495580433600093
Energy: 1.4939330115881764
Energy: 1.2690044910568539
Energy: 1.5000858896819476
Energy: 1.4932306394889776
Energy: 1.6058240587951556
Energy: 1.3965876059076594
Energy: 1.3968138436713253
Energy: 1.550427946649558
Energy: 1.370102151122148
Energy: 1.397441720797375
Energy: 1.5238085229905565
Energy: 1.3808353606767618
Energy: 1.3747650628891466
Energy: 1.4812285842492727
Energy: 1.3806111215484673
Energy: 1.3754114008699583
Energy: 1.5036727718198835
Energy: 1.523919412573554
Energy: 1.4920963571186792
Energy: 1.4556289081461038
Energy: 1.5226680465932834
Energy: 1.4906671230250388
Energy: 1.3709035963457161
Energy: 1.4653218901174567
Energy: 1.4694498761164816
Energy: 1.3646109109784685
Energy: 1.4633843274249
Energy: 1.3778030905843663
Energy: 1.506305135579136
Energy: 1.4729734403468513
Energy: 1.4689641200726467
Energy: 1.4558526372225102
Energy: 1.4760538058939794
Energy: 1.4782668596647575
Energy: 1.5175663050918675
Energy: 1.4740903145218345
Energy: 1.4737056217188669
Energy: 1.4724243932089986
Energy: 1.43456276399328
Energy: 1.4754815296270232
Energy: 1.4776838139279285
Energy: 1.4578713991329109
Energy: 1.4568322270134484
Energy: 1.4773337407381764
Energy: 1.5002619313869725
Energy: 1.4878981247131875
Energy: 1.4801824789295883
Energy: 1.4357270971301246
Energy: 1.4367327181635638
Energy: 1.4796234159770476
Energy: 1.4456004291587057
Energy: 1.4353936096860378
Energy: 1.4741107664514137
Energy: 1.4585475165509518
Energy: 1.4875602591994619
Energy: 1.4745386969392882
Energy: 1.456899349587721
Energy: 1.4386842556702129
Energy: 1.4650227227016566
Energy: 1.4375547404162217
Energy: 1.4455620751804175
Energy: 1.4693508899338512
Energy: 1.3611847522551483
Energy: 1.4368434005572912
Energy: 1.443754430544984
Energy: 1.450644190399496
Energy: 1.4607595832203695
Energy: 1.445936273810075
Energy: 1.4504001744677115
Energy: 1.2978285552166207
Energy: 1.3905450135687578
Energy: 1.4508628853873717
Energy: 1.3056527355199807
Energy: 1.3786753511323693
Energy: 1.453593694747683
Energy: 1.37653165224115
Energy: 1.4067939911618434
Energy: 1.3029000144325908
Energy: 1.3072602705023557
Energy: 1.4000820184400093
Energy: 1.3036984570741972
Energy: 1.3027527424144627
Energy: 1.4712398813285146
Energy: 1.39688273136891
Energy: 1.3121116123251038
Energy: 1.4759843336236451
Energy: 1.3998738040403431
Energy: 1.315017181560669
Energy: 1.6258823567014684
Energy: 1.3725096542767172
Energy: 1.4144848469557139
Energy: 1.2998816181923492
Energy: 1.3664071284281119
Energy: 1.3992481329975646
Energy: 1.6194264518669215
Energy: 1.3162879853590133
Energy: 1.323902316010971
Energy: 1.2993397448656856
Energy: 1.307882543043536
Energy: 1.3592908004815312
Energy: 1.3598605953188165
Energy: 1.2888892103063923
Energy: 1.2721725956566148
Energy: 1.2509762123856107
Energy: 1.2891134232443986
Energy: 1.3739842348239597

minimum gb energy = 1.2318421794623668 eV
minimum distance =  2.16261738585383 Angstroms
sigma value = 41


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

Energy: 1.620156367474648
Energy: 1.6588010003470972
Energy: 1.6663193370801344
Energy: 1.589420262295613
Energy: 1.6087156398882503
Energy: 1.5992812993550705
Energy: 1.6567043932489445
Energy: 1.6038692315433296
Energy: 1.606972764515926
Energy: 1.615722078738737
Energy: 1.6022082444709513
Energy: 1.5846599483839703
Energy: 1.757682029255991
Energy: 1.5649422507128392
Energy: 1.5626157958452906
Energy: 1.6094761397744903
Energy: 1.567656570421737
Energy: 1.5886793175071108
Energy: 1.6043861132125115
Energy: 1.564731348979176
Energy: 1.5633441142828373
Energy: 1.604901158815512
Energy: 1.5650207641925464
Energy: 1.6140449874529568
Energy: 1.6117099019529753
Energy: 1.5986137198476538
Energy: 1.6062345291457092
Energy: 1.6139628187260922
Energy: 1.5999983402329148
Energy: 1.5844673294157048
Energy: 1.5685233744941027
Energy: 1.598934431712269
Energy: 1.5830746293683058
Energy: 1.562533849113272
Energy: 1.5987076176893829
Energy: 1.5819061493932136
Energy: 1.6868515658606429
Energy: 1.6139014126504472
Energy: 1.6030254783124671
Energy: 1.5861138048334917
Energy: 1.6134089066487312
Energy: 1.5782419986335645
Energy: 1.6844055342570858
Energy: 1.5852772577178207
Energy: 1.5835484390847967
Energy: 1.5858156135048322
Energy: 1.582473463636569
Energy: 1.5838724970036029
Energy: 1.5682226949354727
Energy: 1.5842321575953597
Energy: 1.5796738277391027
Energy: 1.5729268210171894
Energy: 1.587107043918444
Energy: 1.5786129460955571
Energy: 1.5924532534102682
Energy: 1.5845191857487828
Energy: 1.5804405688484606
Energy: 1.5876302018281272
Energy: 1.5906414261320134
Energy: 1.5797812607323933
Energy: 1.595321540870697
Energy: 1.606662692006421
Energy: 1.6185727572196769
Energy: 1.5968531809823225
Energy: 1.5976474295968286
Energy: 1.6134504726502608
Energy: 1.807159279885564
Energy: 1.5722094864216867
Energy: 1.5755808704647132
Energy: 1.6006710494153378
Energy: 1.5750417780237365
Energy: 1.5733740806611625
Energy: 1.8122022901619887
Energy: 1.6178492422060304
Energy: 1.6140343461889228
Energy: 1.6048672529305301
Energy: 1.6130066214179908
Energy: 1.5828684468692358
Energy: 1.5556740711719867
Energy: 1.6010679619475818
Energy: 1.573578261578166
Energy: 1.5556292399761127
Energy: 1.5984793871073506
Energy: 1.571514965301557

minimum gb energy = 1.5556292399761127 eV
minimum distance =  2.30910048153097 Angstroms
sigma value = 11


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

Energy: 1.9145827614388795
Energy: 2.122257811380728
Energy: 1.9424045377571348
Energy: 1.8424235828185411
Energy: 1.9498887997841885
Energy: 1.9516527919660946
Energy: 2.0765597790132517
Energy: 1.8281145403293717
Energy: 1.8203426665178402
Energy: 1.828681591367985
Energy: 1.8365678614480538
Energy: 1.8271993484381426
Energy: 2.163695392443267
Energy: 1.80586551650706
Energy: 1.8047151894202755
Energy: 1.834252542050173
Energy: 1.807264597855568
Energy: 1.8328471984544337
Energy: 1.8659161666222888
Energy: 1.805702440291753
Energy: 1.8307677359334322
Energy: 1.8343590366771627
Energy: 1.8064014462858462
Energy: 1.8293665795744258
Energy: 1.8616106119319444
Energy: 1.823666195197772
Energy: 1.8196322048871787
Energy: 1.8297590128392065
Energy: 1.8181506829263885
Energy: 1.8186400798730977
Energy: 1.8648225616718963
Energy: 1.7998523704675573
Energy: 1.7993048328455878
Energy: 1.820308256037692
Energy: 1.8018061933060237
Energy: 1.7998452168953885
Energy: 1.877972307464429
Energy: 1.8006800818432316
Energy: 1.799619319206281
Energy: 1.801807506456739
Energy: 1.7940662321070882
Energy: 1.7991286848385
Energy: 2.0072128674408454
Energy: 1.817567368417485
Energy: 1.8197966365285243
Energy: 1.81881317368554
Energy: 1.8263248909510312
Energy: 1.8195182081479737
Energy: 1.849399527673815
Energy: 1.83246331428837
Energy: 1.8322726380002732
Energy: 1.7989795575419667
Energy: 1.8335779820905422
Energy: 1.813046650430071
Energy: 1.849099267873867
Energy: 1.8324493549003742
Energy: 1.8317810944424515
Energy: 1.7979436256165844
Energy: 1.8338882505027776
Energy: 1.812773182216227
Energy: 1.945335360885535
Energy: 1.8317389364990202
Energy: 1.8254768016365457
Energy: 1.822993299395169
Energy: 1.8474202855546167
Energy: 1.8272012882315625
Energy: 1.8913060064847225
Energy: 1.8005730945870269
Energy: 1.7997181284541
Energy: 1.859643389459508
Energy: 1.792195254042214
Energy: 1.8002056632205032
Energy: 1.8749851952285466
Energy: 1.8139857333122704
Energy: 1.8140471216054261
Energy: 1.8435173859193241
Energy: 1.8273195955205592
Energy: 1.8275695648542536
Energy: 1.861954934567224
Energy: 1.8150653444498925
Energy: 1.8138608256907542
Energy: 1.807967765625296
Energy: 1.8128844661284074
Energy: 1.8138533240652925
Energy: 1.875257541757107
Energy: 1.8154447220145902
Energy: 1.8129135171089996
Energy: 1.8168164160769484
Energy: 1.8147391882130735
Energy: 1.8139959405361572
Energy: 1.9782019118998342
Energy: 1.814983379779189
Energy: 1.813858815975762
Energy: 1.8135116985205
Energy: 1.8125664904931584
Energy: 1.8155135498688653
Energy: 1.8739817953177673
Energy: 1.8136628456160893
Energy: 1.8144968103176065
Energy: 1.822363043191227
Energy: 1.8135647738077982
Energy: 1.8140387921063816
Energy: 1.8576643047308747
Energy: 1.8827707945379355
Energy: 1.848020242384807
Energy: 1.8157355359330791
Energy: 1.8507891533975511
Energy: 1.7904369749720912
Energy: 1.8580911773244047
Energy: 1.8132900031416084
Energy: 1.8152043365960204
Energy: 1.8637275798739539
Energy: 1.8136513015840126
Energy: 1.8135176284403354
Energy: 1.8845644611919317
Energy: 1.8066615556024213
Energy: 1.8051683590535978
Energy: 1.8600256191692939
Energy: 1.807947734258594
Energy: 1.8429498140005924
Energy: 2.047201046234695
Energy: 1.8055947719105279
Energy: 1.8370254552556304
Energy: 1.8577372551949018
Energy: 1.8059059551824352
Energy: 1.834865473664048
Energy: 1.922223390188898
Energy: 1.8373632347644409
Energy: 1.8357618827062614
Energy: 1.836511087279801
Energy: 1.8451687273879502
Energy: 1.8410461191887029
Energy: 1.8760250115061272
Energy: 1.8632786566185209
Energy: 1.8272039193444891
Energy: 1.7996776800896892
Energy: 1.8484271515197657
Energy: 1.8134863591686368
Energy: 2.0690040576479176
Energy: 1.8403476249994186
Energy: 1.8134656518840155
Energy: 1.8138272220641398
Energy: 1.8627396736506008
Energy: 1.8135845748724448
Energy: 1.9442625254977197
Energy: 1.8146309269709906
Energy: 1.8131105558658247
Energy: 1.8828238499678875
Energy: 1.8126503594893544
Energy: 1.8088729102212322
Energy: 1.863888949291138
Energy: 1.8146165830927499
Energy: 1.816252004255951
Energy: 1.814628475788191
Energy: 1.8130680868867302
Energy: 1.8146282607275344
Energy: 1.8650295147974771
Energy: 1.813299477040177
Energy: 1.8161707465479724
Energy: 1.813680661445554
Energy: 1.8128848643166176
Energy: 1.8137696391905305
Energy: 1.8604931305511638
Energy: 1.8132066966285603
Energy: 1.8159003907694522
Energy: 1.8139331817367983
Energy: 1.8146731502611797
Energy: 1.8129553283805948
Energy: 1.8715629975661894
Energy: 1.8054382167768552
Energy: 1.804181701347683
Energy: 1.8517137470485927
Energy: 1.8071544879596
Energy: 1.8035602360278522
Energy: 2.169392506997468
Energy: 1.8680052303551584
Energy: 1.8139279217779778
Energy: 1.8147666932532924
Energy: 1.8450356405766766
Energy: 1.8119117140802017
Energy: 1.8754327809954678
Energy: 1.8417599952899408
Energy: 1.8242341485155373
Energy: 1.7971388585359165
Energy: 1.828842709701698
Energy: 1.8105619053306037

minimum gb energy = 1.7904369749720912 eV
minimum distance =  2.28126981138719 Angstroms
sigma value = 57


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

Energy: 2.748703671492619
Energy: 2.007041794572807
Energy: 2.006818847818542
Energy: 2.004399156796735
Energy: 2.0088397619161387
Energy: 2.007023082108471
Energy: 2.0104256772755185
Energy: 1.9408280663625372
Energy: 1.9415600083107134
Energy: 1.9454996832680498
Energy: 1.9429872997252808
Energy: 1.9419688907663464
Energy: 2.2130673574435873
Energy: 1.9180546935479366
Energy: 1.9174303739239453
Energy: 2.0057414927134225
Energy: 1.9193437128474362
Energy: 1.9453486674735307
Energy: 2.0244995136477706
Energy: 1.9407009886711286
Energy: 1.9385367655936545
Energy: 1.941557998466734
Energy: 1.922680510046029
Energy: 1.9395496015351863
Energy: 1.9926511285528516
Energy: 1.9443149629824028
Energy: 1.9397700710819903
Energy: 1.9420497895003006
Energy: 1.940403055808437
Energy: 1.9384629061512513
Energy: 2.0154146096199144
Energy: 1.9407692035410347
Energy: 1.9395382078290628
Energy: 1.9419403135194824
Energy: 1.9434619090342888
Energy: 1.9387035188009838
Energy: 2.027971053253335
Energy: 1.920121950058389
Energy: 1.9202553178806845
Energy: 1.9452875866606942
Energy: 1.922247424285816
Energy: 1.9381863363554146
Energy: 2.213031106089162
Energy: 1.9414836381933689
Energy: 1.9425764265184047
Energy: 1.94134417183606
Energy: 1.9412417352533105
Energy: 1.941608457425891
Energy: 2.033768142538293
Energy: 1.9436114100583086
Energy: 1.9230476676997532
Energy: 1.9275769250085326
Energy: 1.9423315066841278
Energy: 1.9236355027180032
Energy: 2.0350114869541427
Energy: 1.9436875055141745
Energy: 1.923253647139826
Energy: 1.9277462243466452
Energy: 1.9402287045956768
Energy: 1.9234390313070042
Energy: 2.1987653770902247
Energy: 1.9417380785872944
Energy: 1.9392273587246764
Energy: 2.0095238660426573
Energy: 1.9421649235622251
Energy: 1.9385520069570539
Energy: 2.050968068112634
Energy: 1.917813665436554
Energy: 1.916943321083059
Energy: 1.9418762773191958
Energy: 1.9193468520053587
Energy: 1.9455073421896305
Energy: 1.9946677548972271
Energy: 1.9455438580776006
Energy: 1.9409896194602447
Energy: 1.94330012462739
Energy: 1.941364853514331
Energy: 1.939613033420497
Energy: 2.020712215824696
Energy: 1.9409994399759594
Energy: 1.9395394553631993
Energy: 1.9422239759234734
Energy: 1.942993344313098
Energy: 1.9389188470023366
Energy: 1.9871539256707704
Energy: 1.9221269949634867
Energy: 1.937938404928044
Energy: 1.9431327886876522
Energy: 1.9204495195987334
Energy: 1.9376200743749936
Energy: 2.2256631168806145
Energy: 1.9221701619621059
Energy: 1.921520795681579
Energy: 1.9430713789046563
Energy: 1.9266475289651877
Energy: 1.9415389519246269
Energy: 2.008545985209533
Energy: 1.9412424443552203
Energy: 1.94160195741768
Energy: 1.9281220703474
Energy: 1.9429591420373016
Energy: 1.942542570529198

minimum gb energy = 1.916943321083059 eV
minimum distance =  2.2831926670187 Angstroms
sigma value = 9


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

Energy: 2.1737181834211863
Energy: 2.064059284112663
Energy: 2.0196042300640746
Energy: 2.0443802264532125
Energy: 2.0467405076401968
Energy: 2.0201413438963978
Energy: 2.2395768343215763
Energy: 1.9808675755657692
Energy: 1.981525756784485
Energy: 1.9790210957959802
Energy: 1.9833382229743537
Energy: 1.9929022916370123
Energy: 2.146302330229583
Energy: 2.0480876454105865
Energy: 1.996892482422651
Energy: 2.01767163787046
Energy: 2.0446231220083515
Energy: 1.9956732186876498
Energy: 1.9808212846709394
Energy: 2.0034148228774162
Energy: 1.9914444444132173
Energy: 2.003537746940033
Energy: 1.9611557759566407
Energy: 1.989324976566947
Energy: 1.9800806146938335
Energy: 1.9489722269916527
Energy: 1.949906296995409
Energy: 1.98001564426269
Energy: 1.9486772886782622
Energy: 1.9512619270673952
Energy: 1.977805466100607
Energy: 1.947307267971184
Energy: 1.9455956779929982
Energy: 1.9566299833899587
Energy: 1.952741616575838
Energy: 1.9458660670327939
Energy: 2.008887914299359
Energy: 2.063690835888704
Energy: 2.0070288008424795
Energy: 1.9399078901639855
Energy: 2.069040609631964
Energy: 2.007910464710681
Energy: 2.1754036910894885
Energy: 1.9513220178542172
Energy: 1.948308463383476
Energy: 1.9466122060714193
Energy: 1.9487084069026517
Energy: 1.9475236529206426
Energy: 2.1289060459568474
Energy: 1.9466313303724239
Energy: 1.946143302819744
Energy: 2.017176299416891
Energy: 1.9481134012294588
Energy: 1.9918413530182675
Energy: 2.1253918576963042
Energy: 1.9472217701679324
Energy: 1.946475996993183
Energy: 2.01749581740036
Energy: 1.9486122478010552
Energy: 1.9467426156940832
Energy: 2.178988914891443
Energy: 1.9650319394115285
Energy: 1.9635638137887703
Energy: 1.9472475175401223
Energy: 1.949184485083898
Energy: 1.9618536906334791
Energy: 2.112801002978057
Energy: 1.9939781194421482
Energy: 1.9922124906636522
Energy: 1.983577240116488
Energy: 1.989566143165854
Energy: 1.9928331547383673
Energy: 2.1055942085830646
Energy: 1.9963208692402925
Energy: 1.9964263926610375
Energy: 2.0735220358286304
Energy: 1.9612643531823775
Energy: 2.0413179044132055
Energy: 2.1098838010055694
Energy: 1.9988573772736524
Energy: 1.9959032133196597
Energy: 2.0144910398168085
Energy: 1.9972444574636694
Energy: 1.989013555457273
Energy: 2.1096233471713233
Energy: 1.9433960820960505
Energy: 1.9433790048464237
Energy: 1.9894645891766625
Energy: 1.9459121869972043
Energy: 1.979279615449602
Energy: 2.0780782732297087
Energy: 2.009889457646418
Energy: 1.9427782303156915
Energy: 1.9652232050777358
Energy: 2.0133835674742464
Energy: 1.9430960103633534
Energy: 2.057660753612643
Energy: 1.9915304817997979
Energy: 1.9899590715506776
Energy: 2.016842258009033
Energy: 1.9948150532522175
Energy: 1.9921161670312768
Energy: 2.0528360824588505
Energy: 1.9612666180685054
Energy: 1.9636817667282522
Energy: 2.041857385911024
Energy: 1.9820099498194916
Energy: 2.0383810301729426
Energy: 2.091131427448935
Energy: 2.051694278028578
Energy: 2.0484742015429447
Energy: 2.044890570096091
Energy: 2.0085078242584475
Energy: 2.042135710867329
Energy: 2.0882089324172886
Energy: 2.0500591086895956
Energy: 2.044596571576174
Energy: 2.0449628957786063
Energy: 2.0400830931269986
Energy: 1.9959682443004372
Energy: 2.114158496745693
Energy: 1.9857163216700526
Energy: 1.9845940443232726
Energy: 1.9451674184319891
Energy: 1.9839695845944656
Energy: 1.985469984851878

minimum gb energy = 1.9399078901639855 eV
minimum distance =  2.25449661497828 Angstroms
sigma value = 27


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

Energy: 3.1264795482603702
Energy: 2.03051644988285
Energy: 1.9434030410684033
Energy: 1.9458983672783228
Energy: 1.9776042345036213
Energy: 2.0133678387484446
Energy: 2.1991908943827574
Energy: 1.9583424276410126
Energy: 1.9548345785682442
Energy: 1.9690001569485587
Energy: 1.945391354112672
Energy: 1.951599230841182
Energy: 2.272224021358943
Energy: 1.9348099901565383
Energy: 1.994148358038622
Energy: 1.9539858974777302
Energy: 2.0180587761406983
Energy: 2.035773662646502
Energy: 2.28942702874626
Energy: 2.003742552977128
Energy: 1.9598467176082812
Energy: 2.0913659034618663
Energy: 1.9797855851507582
Energy: 1.9522556578373493
Energy: 2.0338083660256396
Energy: 2.021833874900544
Energy: 1.9437759257816747
Energy: 2.023018745664507
Energy: 1.9905016991861268
Energy: 2.0932360271246506
Energy: 2.2311551785175787
Energy: 1.9307240506118428
Energy: 2.0869251337993324
Energy: 2.0713487232340158
Energy: 2.095398060328612
Energy: 1.9299768484151782
Energy: 2.272183311722381
Energy: 2.000356682817971
Energy: 1.996005054925132
Energy: 1.982544643040555
Energy: 1.9936786203282555
Energy: 1.9933242581411887
Energy: 2.1857626297798
Energy: 1.9996977376660832
Energy: 2.089866647266777
Energy: 2.0907068202169024
Energy: 2.006174235656142
Energy: 2.0906956743525336
Energy: 2.189595859656763
Energy: 2.088378753171859
Energy: 2.0835855178854055
Energy: 2.0808292547921625
Energy: 2.0885784313668507
Energy: 2.082713793721699
Energy: 2.191071027016476
Energy: 2.109154272138326
Energy: 2.0834809209819865
Energy: 2.082057744112793
Energy: 2.1088107042739934
Energy: 2.0823579876727414
Energy: 2.187170196313139
Energy: 2.079121620251209
Energy: 2.0806418249017717
Energy: 2.0924219707148985
Energy: 2.010669251849592
Energy: 2.0900153114851805
Energy: 2.247393209889673
Energy: 2.078649386362973
Energy: 2.079868804348102
Energy: 2.0483195909604395
Energy: 2.0796936254777973
Energy: 2.0815579808041984
Energy: 2.3693604632923977
Energy: 2.0677520879157267
Energy: 2.063772115529299
Energy: 2.065560222007483
Energy: 2.0666687382112543
Energy: 2.064174096964762
Energy: 2.3714700753418043
Energy: 2.0676113471201334
Energy: 2.064935382976912
Energy: 2.07430927658993
Energy: 2.069112581141624
Energy: 2.0664265645710893
Energy: 2.246890665363428
Energy: 2.0666103583730746
Energy: 2.0665811265201284
Energy: 2.0478501658801487
Energy: 2.071750477444311
Energy: 2.049728668775707
Energy: 2.126702022790791
Energy: 2.092108057681701
Energy: 2.0854030462275315
Energy: 2.0904286701230075
Energy: 2.096479348159754
Energy: 2.0873587399917386
Energy: 2.0328927149460214
Energy: 2.1258593687435705
Energy: 2.1193622020557954
Energy: 2.030916060670659
Energy: 2.068093912366282
Energy: 2.119075495782413
Energy: 2.1193704685775487
Energy: 2.084825402009109
Energy: 2.0837126701837216
Energy: 2.082096051335607
Energy: 2.0835373673753894
Energy: 2.0834002371483797
Energy: 2.125144450052033
Energy: 1.9972860846782654
Energy: 1.9963468392402102
Energy: 2.081145347803638
Energy: 2.013781501573487
Energy: 1.9969122876051282
Energy: 2.266830544201326
Energy: 2.010034054073436
Energy: 2.0076728103638386
Energy: 1.9472850366851673
Energy: 2.0074253731330494
Energy: 2.00671928796389
Energy: 2.1750748213507176
Energy: 2.084035513950423
Energy: 2.0855322570386843
Energy: 2.0838576316016675
Energy: 2.086451218972115
Energy: 2.0851404876283977
Energy: 2.0328341061449766
Energy: 2.0573513139915267
Energy: 1.9868911095272561
Energy: 2.0310751776735216
Energy: 1.9734280661703274
Energy: 1.9873970597221604
Energy: 2.297035463479747
Energy: 1.9902743230867221
Energy: 2.015306056515242
Energy: 1.95327727343973
Energy: 2.0233433711695223
Energy: 1.9909565353000953
Energy: 2.265613845145679
Energy: 2.017316039419674
Energy: 1.993527041576091
Energy: 2.0449528273950706
Energy: 1.968192217165941
Energy: 1.9775855590032916
Energy: 2.2004628491821783
Energy: 1.9304106306449391
Energy: 1.9797226537795098
Energy: 1.9628954000931191
Energy: 1.9810154787798426
Energy: 2.00641865247016

minimum gb energy = 1.9299768484151782 eV
minimum distance =  2.17148704862543 Angstroms
sigma value = 19


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

Energy: 2.061389643937059
Energy: 1.8739584551191935
Energy: 1.9392934158343058
Energy: 1.897021308562071
Energy: 1.8762947621634516
Energy: 1.8962545913425726
Energy: 2.074442095819302
Energy: 1.9247119015594185
Energy: 1.922815089174737
Energy: 1.9200305776867372
Energy: 1.8679735552492522
Energy: 1.923560920768544
Energy: 2.0408768302027442
Energy: 1.913919703006896
Energy: 1.9061115872090684
Energy: 1.8761529564809851
Energy: 1.884391178412785
Energy: 1.904598370858851
Energy: 1.9963288155762067
Energy: 1.9220826485224263
Energy: 1.9177969107435469
Energy: 1.9183523716301691
Energy: 1.9224236095479912
Energy: 1.9170979006407531
Energy: 1.991629080413631
Energy: 1.874603213638009
Energy: 1.8924996667430447
Energy: 1.9221117115182154
Energy: 1.8825076527034785
Energy: 1.8953860820382136
Energy: 1.9967716684902423
Energy: 1.923269395473119
Energy: 1.9202665589717673
Energy: 1.8179086035952612
Energy: 1.926858138285491
Energy: 1.919882073114362
Energy: 1.9959221235851725
Energy: 1.9052058680646675
Energy: 1.9052508070889642
Energy: 1.8573860380278706
Energy: 1.9020331649952176
Energy: 1.8908442045034344
Energy: 1.9856699345809334
Energy: 1.9006934311812724
Energy: 1.9235071396471202
Energy: 1.8499277271233798
Energy: 1.901555953142078
Energy: 1.923706841816519
Energy: 1.973422513671613
Energy: 1.9033342912984745
Energy: 1.9023066496331227
Energy: 1.8216539704423198
Energy: 1.9056079032994806
Energy: 1.9014895131776515
Energy: 1.968545956049044
Energy: 1.9062713302778422
Energy: 1.9026810817802184
Energy: 1.842768183778764
Energy: 1.9044646111026202
Energy: 1.9019873244220018
Energy: 1.9881402959548855
Energy: 1.8768508848258654
Energy: 1.8762677328862398
Energy: 1.9037416892856605
Energy: 1.881491263174249
Energy: 1.883466976034377
Energy: 2.0117135886878366
Energy: 1.9088312403604175
Energy: 1.9054816918829107
Energy: 1.9060534063001866
Energy: 1.8938125313055054
Energy: 1.9047953131545554
Energy: 2.0122445007566423
Energy: 1.8548464298694165
Energy: 1.8908238598201106
Energy: 1.910397523952827
Energy: 1.8560071773745104
Energy: 1.8715368908139218
Energy: 2.081142685341904
Energy: 1.8851463366152734
Energy: 1.9054486448662658
Energy: 1.8836116464654005
Energy: 1.8150443834667933
Energy: 1.905833756119801
Energy: 2.01039393459349
Energy: 1.8687506903344002
Energy: 1.86724167405085
Energy: 1.886583707020133
Energy: 1.8822857286496384
Energy: 1.8664871806825065
Energy: 2.008207297099609
Energy: 1.8933093323139585
Energy: 1.8890317549810653
Energy: 1.8862584590565161
Energy: 1.8862853304143794
Energy: 1.8883213463017594
Energy: 1.9889292975182138
Energy: 1.9010307429847064
Energy: 1.9124580433286635
Energy: 1.8620977104876932
Energy: 1.8920313382633043
Energy: 1.9006389755656994
Energy: 2.0379670649116224
Energy: 1.8865639393681888
Energy: 1.890594094760324
Energy: 1.8188334218236837
Energy: 1.8592157185623661
Energy: 1.8911492722324041
Energy: 2.005657838016008
Energy: 1.9016781186855745
Energy: 1.901848038578548
Energy: 1.8966799273609953
Energy: 1.9134114094842294
Energy: 1.8597456673338368
Energy: 1.9442339041541532
Energy: 1.90175851649049
Energy: 1.9016306453561393
Energy: 1.8603532235711464
Energy: 1.901485015124131
Energy: 1.8682213827910301
Energy: 1.9501732194063035
Energy: 1.8860971381815868
Energy: 1.8867170789230656
Energy: 1.886447712185481
Energy: 1.8911292937406297
Energy: 1.887377434039841
Energy: 1.9500103046804134
Energy: 1.909897886628739
Energy: 1.9067771205186237
Energy: 1.9171096819709421
Energy: 1.9053744378822308
Energy: 1.9068242083074354
Energy: 1.9510516078549953
Energy: 1.8814235138238902
Energy: 1.8840425458135026
Energy: 1.8141634402498887
Energy: 1.8820170329095327
Energy: 1.8195506792487992
Energy: 2.0173525804420014
Energy: 1.8811752525814633
Energy: 1.8851388509146998
Energy: 1.8137760802982352
Energy: 1.8819393642923623
Energy: 1.8853036114952768
Energy: 2.0197030555363575
Energy: 1.906153880541884
Energy: 1.9105859788849522
Energy: 1.9144534347869142
Energy: 1.9028104539272084
Energy: 1.9102520773242504
Energy: 1.9963402902595342
Energy: 1.8987050536031622
Energy: 1.9027114367952405
Energy: 1.9265157709972915
Energy: 1.898765741012186
Energy: 1.9040230009345191
Energy: 2.0166105739934546
Energy: 1.9039869410279016
Energy: 1.9060157466382408
Energy: 1.9026431654911162
Energy: 1.905107936957903
Energy: 1.906323862072059
Energy: 2.0405670331920542
Energy: 1.9313665890225815
Energy: 1.9282364395770009
Energy: 1.9207672825946462
Energy: 1.9282341390165318
Energy: 1.92641283192263
Energy: 2.035518201063626
Energy: 1.850022212600625
Energy: 1.9040232567038224
Energy: 1.8815957136683956
Energy: 1.8506104098475158
Energy: 1.8822908121567994

minimum gb energy = 1.8137760802982352 eV
minimum distance =  2.25821612601464 Angstroms
sigma value = 101


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

Energy: 3.0381144597062675
Energy: 1.8102861130037469
Energy: 1.8092304378661745
Energy: 1.7763811910658636
Energy: 1.8150261500651106
Energy: 1.776221010400818
Energy: 2.0414930178149207
Energy: 1.8149635464180056
Energy: 1.8127232535875764
Energy: 1.8214544753588517
Energy: 1.8047076056062807
Energy: 1.8121515889504967
Energy: 1.9863756252688147
Energy: 1.8113195059686975
Energy: 1.8027890965464455
Energy: 1.8105568108404781
Energy: 1.8125925832026066
Energy: 1.800265114395827
Energy: 1.928057905053554
Energy: 1.8104929100375473
Energy: 1.8065423983357194
Energy: 1.8119050755854116
Energy: 1.8171307593620845
Energy: 1.8059388274909658
Energy: 1.9032540817405261
Energy: 1.8071337160174892
Energy: 1.8083722788570538
Energy: 1.8078110317677274
Energy: 1.815141424474456
Energy: 1.8144999677297309
Energy: 1.9222402161341399
Energy: 1.8118393305158558
Energy: 1.8085613746255913
Energy: 1.8092577573946182
Energy: 1.817453165678729
Energy: 1.8080735297581347
Energy: 1.8770992982621453
Energy: 1.8057696334143887
Energy: 1.7970363653653083
Energy: 1.829809301527487
Energy: 1.805717990473022
Energy: 1.795232606713839
Energy: 1.9088513571733676
Energy: 1.814802571358403
Energy: 1.8135093886532994
Energy: 1.7979998595567641
Energy: 1.8135985091137463
Energy: 1.8142921944557948
Energy: 1.889392608602434
Energy: 1.8109614724587788
Energy: 1.8052600883897512
Energy: 1.8109989614560367
Energy: 1.8002836161482498
Energy: 1.8042611082590738
Energy: 1.8948746373048324
Energy: 1.8109695524613973
Energy: 1.8075515832062183
Energy: 1.8107137878703432
Energy: 1.8164185616632684
Energy: 1.8069752453395256
Energy: 1.9281345477979384
Energy: 1.7772663159599364
Energy: 1.7774574024469691
Energy: 1.8009564783946415
Energy: 1.8086847471075216
Energy: 1.7857129794155442
Energy: 1.9576208429093673
Energy: 1.8128409542080033
Energy: 1.8094804782819989
Energy: 1.8318873036542838
Energy: 1.8062948267122492
Energy: 1.8091834771797461
Energy: 1.9176138773557319
Energy: 1.814321195543689
Energy: 1.8069771482452088
Energy: 1.809869164307303
Energy: 1.8150676812196402
Energy: 1.8078940163654533
Energy: 1.9152400412656239
Energy: 1.8126234438794706
Energy: 1.81310956485452
Energy: 1.8038407257465106
Energy: 1.8059481769107661
Energy: 1.8136168654343914
Energy: 1.9571520303099859
Energy: 1.8211148289067656
Energy: 1.796954373811985
Energy: 1.8114481438136676
Energy: 1.8226272502667704
Energy: 1.8105204912011104
Energy: 1.986936020653749
Energy: 1.8106845980011488
Energy: 1.8072773438906267
Energy: 1.8128067763931723
Energy: 1.8087258789209988
Energy: 1.806567656644179
Energy: 1.9160168242833546
Energy: 1.82049438148225
Energy: 1.8056156507248344
Energy: 1.8042868765038955
Energy: 1.8190281366408012
Energy: 1.8010483732194769
Energy: 2.040098084010509
Energy: 1.7988654289282635
Energy: 1.81379395952846
Energy: 1.8080701782560573
Energy: 1.8001275327092856
Energy: 1.8076512022286226
Energy: 1.9857833159023233
Energy: 1.816454960876363
Energy: 1.8137668716818367
Energy: 1.8004638537977595
Energy: 1.8137232949310294
Energy: 1.8140137105862215
Energy: 1.9238145472228942
Energy: 1.8153546462771875
Energy: 1.8119039281364933
Energy: 1.812217189602235
Energy: 1.8198973056488172
Energy: 1.8114940288411083
Energy: 1.9034001345424878
Energy: 1.7988835123433506
Energy: 1.7994295696509133
Energy: 1.8099032815890488
Energy: 1.8001144907189952
Energy: 1.804160933181954
Energy: 1.9205058179690329
Energy: 1.812131130732333
Energy: 1.8087588265733372
Energy: 1.810175959371031
Energy: 1.8183927050745665
Energy: 1.8081776841885708
Energy: 1.9485836572251718
Energy: 1.8020741289543551
Energy: 1.800686622122495
Energy: 1.7951752186863372
Energy: 1.8026652689803824
Energy: 1.800050084453423
Energy: 1.9295197177251027
Energy: 1.8044112567466803
Energy: 1.805867337923536
Energy: 1.8029157974494046
Energy: 1.8053250237190004
Energy: 1.8120613708367452
Energy: 1.888380690142077
Energy: 1.8148445651446068
Energy: 1.8115417444163804
Energy: 1.8203617788256903
Energy: 1.8207063601117446
Energy: 1.8110009844881336
Energy: 1.889267368418165
Energy: 1.8143664118336473
Energy: 1.8107817184418429
Energy: 1.8098563916550823
Energy: 1.820738482072338
Energy: 1.8106379327119924
Energy: 1.9269148719281044
Energy: 1.8080587135354613
Energy: 1.8057586794459843
Energy: 1.7985584076953862
Energy: 1.8094963812301412
Energy: 1.8073302322976152
Energy: 1.9569686335264016
Energy: 1.8113194194368656
Energy: 1.808980620894721
Energy: 1.8114554178623476
Energy: 1.8138700431738977
Energy: 1.8142710601551328
Energy: 1.9193703835912552
Energy: 1.8108168537993843
Energy: 1.8117409034636627
Energy: 1.805029324611689
Energy: 1.81183514340918
Energy: 1.8117381780314297
Energy: 1.9222086015493796
Energy: 1.8043406942339577
Energy: 1.803104824779329
Energy: 1.8047768982972285
Energy: 1.8086960226299593
Energy: 1.8037260344270225
Energy: 1.955309984118158
Energy: 1.8149051365253757
Energy: 1.8117015593854982
Energy: 1.8103571038795472
Energy: 1.8152996300136923
Energy: 1.8115947338442902
Energy: 1.9861786706375324
Energy: 1.8143142018881124
Energy: 1.8099784962240855
Energy: 1.8221306953279404
Energy: 1.8177008590732515
Energy: 1.809186804374016
Energy: 1.9160960839654066
Energy: 1.8094400422821826
Energy: 1.7964381375317116
Energy: 1.804989785200961
Energy: 1.8098880133267812
Energy: 1.7935446018160772

minimum gb energy = 1.776221010400818 eV
minimum distance =  2.27245792558199 Angstroms
sigma value = 33


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

Energy: 0.019487074491396274
Energy: 0.02070522678646997
Energy: 0.020692068904086793
Energy: 0.02215446552506717
Energy: 2.471289275674172
Energy: 0.020443775091384665
Energy: 0.02061642417004308
Energy: 0.20062891684220763
Energy: 0.1981728671307813
Energy: 0.19998403212469296
Energy: 0.19818592995774761
Energy: 0.19815206490921897
Energy: 3.0845455162631286
Energy: 2.4680183280590344
Energy: 2.470234510671384
Energy: 2.4710996107553487
Energy: 2.470120160614448
Energy: 2.466119128814834
Energy: 0.7725676664306369
Energy: 0.20062891684267467
Energy: 0.1981728671307813
Energy: 0.19998403212744348
Energy: 0.19818592995639828
Energy: 0.19815206490921897

minimum gb energy = 0.019487074491396274 eV
minimum distance =  2.45469420023732 Angstroms
sigma value = 1