Model name: model_name=MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_001
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=3.521391749382019
cohesive_energy=4.450350015081894
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=[2.44846235384514e-19, 3.22705611090378e-19, 3.8083257937189797e-19, 4.2788690493584396e-19, 4.67463872148912e-19, 5.0148609297190195e-19, 5.31123156347634e-19, 5.571569244734999e-19, 5.8014014828823e-19, 6.00481382833494e-19, 6.1849625690619e-19, 6.34434710061222e-19, 6.484954122012059e-19, 6.608449896960779e-19, 6.71621229736362e-19, 6.8094429556960795e-19, 6.889119199704899e-19, 6.95613824830512e-19, 7.01125312451472e-19, 7.05515276428632e-19, 7.08844599474084e-19, 7.1116455124011595e-19, 7.12524799202382e-19, 7.1296860213e-19, 7.124879491398e-19, 7.109322356281859e-19, 7.0809798516264e-19, 7.037464734246959e-19, 6.97590910796868e-19, 6.89283624949578e-19, 6.784032434280839e-19, 6.64435467532872e-19, 6.4675224402341395e-19, 6.245749150555859e-19, 5.969405724723539e-19, 5.626379707384139e-19, 5.20143439874832e-19, 4.67510335271298e-19, 4.02240863555406e-19, 3.21081003983502e-19, 2.1974653623626997e-19, 9.252169517191499e-20, -6.83413249762602e-20, -2.73526799309748e-19, -5.380541724663179e-19, -8.835058852295938e-19, -1.3417428221432999e-18, -1.9611763523803798e-18, -2.8180845033089394e-18, -4.03794974890386e-18, -5.8381714366325995e-18, -8.6213925763857e-18, -1.3199708438638738e-17, -2.14119691897662e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.018089586656868537
Energy: 0.01860349473310458
Energy: 0.018618572075031085
Energy: 0.018403303251599126
Energy: 0.6718589077251232
Energy: 0.018624678885287987
Energy: 0.01860349473310458
Energy: 0.1600475664656967
Energy: 0.15998084111975083
Energy: 0.15972443575194906
Energy: 0.15975151451328806
Energy: 0.16135355988515473
Energy: 0.018618572075031085
Energy: 0.15998084112008132
Energy: 0.16140215219902174
Energy: 0.01857869576381699
Energy: 0.15968727406356859
Energy: 0.1607806696550855
Energy: 0.01840330325189291
Energy: 0.15972443575224285
Energy: 0.01857869576381699
Energy: 0.018557354456421066
Energy: 0.1598977648911321
Energy: 0.018514811694572194
Energy: 0.6718589077251232
Energy: 0.15975151451328806
Energy: 0.15968727406356859
Energy: 0.1598977648914626
Energy: 0.15972736362181564
Energy: 0.15965526661439064
Energy: 0.01862467888495748
Energy: 0.16135355988515473
Energy: 0.1607806696544245
Energy: 0.018514811694572194
Energy: 0.15965526661406015
Energy: 0.01850537887195317

minimum gb energy = 0.018089586656868537 eV
minimum distance =  2.48701501204706 Angstroms
sigma value = 1


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

Energy: 2.059800171495374
Energy: 1.5507500189935042
Energy: 1.4122346047338965
Energy: 1.4438069259426143
Energy: 1.7366660285008295
Energy: 1.9082602120702106
Energy: 1.9230101950699974
Energy: 1.3450679764884306
Energy: 1.3449037721080623
Energy: 1.3959773256025745
Energy: 1.3450074241859824
Energy: 1.343922485318729
Energy: 1.8705401658958534
Energy: 1.3441514609084124
Energy: 1.3442083981171902
Energy: 1.354913007403047
Energy: 1.3442559218320305
Energy: 1.3050351200580168
Energy: 1.9642056264676304
Energy: 1.2961565165724638
Energy: 1.3421121810599201
Energy: 1.3265935905385924
Energy: 1.3492460785754303
Energy: 1.3263249645488466
Energy: 1.86519640449083
Energy: 1.4008897093738515
Energy: 1.4007856937825314
Energy: 1.4031097979682314
Energy: 1.4012622326439221
Energy: 1.4005544199340438
Energy: 1.8185315716788606
Energy: 1.4007447995827118
Energy: 1.399756172413453
Energy: 1.3827590501200104
Energy: 1.401072854118224
Energy: 1.3815078973558166
Energy: 1.8205688798955433
Energy: 1.3806346432997538
Energy: 1.3804979424583799
Energy: 1.37995961646553
Energy: 1.3962392877275047
Energy: 1.3806486269081468
Energy: 1.7356898674614891
Energy: 1.4015409718458312
Energy: 1.4020519042698028
Energy: 1.3928394839511764
Energy: 1.3994390379779267
Energy: 1.3813933603542936
Energy: 1.4868533320452308
Energy: 1.3969754932517797
Energy: 1.3816689718967172
Energy: 1.4067357998028425
Energy: 1.3967967611062702
Energy: 1.37931187308694
Energy: 1.483499515926024
Energy: 1.4009556188062582
Energy: 1.3636382736737542
Energy: 1.3766581202332813
Energy: 1.4009457092202617
Energy: 1.3635640818613681
Energy: 1.520078409748848
Energy: 1.353101179058773
Energy: 1.3540800880645127
Energy: 1.5198616384191668
Energy: 1.353571092867879
Energy: 1.3520536091185373
Energy: 1.3442974153967029
Energy: 1.3587454187814723
Energy: 1.3592948556863012
Energy: 1.3443288395783342
Energy: 1.3713800201015929
Energy: 1.34411835008852
Energy: 1.3447380682264396
Energy: 1.3875599009703394
Energy: 1.3874481510745051
Energy: 1.344665281268783
Energy: 1.3706303364035464
Energy: 1.3442374979778706
Energy: 1.3943228087042694
Energy: 1.3758703991847596
Energy: 1.3562893980010562
Energy: 1.393899233235744
Energy: 1.3551677228356367
Energy: 1.327951289871371
Energy: 1.3945430853760676
Energy: 1.4015470529612317
Energy: 1.3270265960348389
Energy: 1.3441033389555233
Energy: 1.4032161270991306
Energy: 1.3442450180636838
Energy: 1.3978376989046872
Energy: 1.325478993821056
Energy: 1.325470615106444
Energy: 1.3785616705931856
Energy: 1.3714991042967342
Energy: 1.345401738565423
Energy: 1.7002304027593995
Energy: 1.3915504064827455
Energy: 1.3914592099767078
Energy: 1.3579697979220673
Energy: 1.3791470112924493
Energy: 1.328105864691664
Energy: 1.6471922038142957
Energy: 1.3999187077344943
Energy: 1.399217943024859
Energy: 1.4002248352262285
Energy: 1.4469229324158392
Energy: 1.3993198655575956
Energy: 1.6509616666508917
Energy: 1.399581276020599
Energy: 1.398970117855392
Energy: 1.3996048218268158
Energy: 1.399479541334221
Energy: 1.4121899805791807
Energy: 1.8710615830277586
Energy: 1.4002871820662086
Energy: 1.4132173719395529
Energy: 1.399670921227993
Energy: 1.3995958072177905
Energy: 1.3984258915062076
Energy: 1.8852791603546217
Energy: 1.395831030806677
Energy: 1.3755859970426927
Energy: 1.3549425089600804
Energy: 1.4323609218805164
Energy: 1.3958354046157186
Energy: 1.8878958596484647
Energy: 1.3737783548369933
Energy: 1.3722600774561184
Energy: 1.3838328882638908
Energy: 1.3891341680921188
Energy: 1.3408594377589986
Energy: 1.9228762102832606
Energy: 1.3440886056585568
Energy: 1.3442477205997856
Energy: 1.3822383016929747
Energy: 1.344164330441668
Energy: 1.3439082036298804

minimum gb energy = 1.2961565165724638 eV
minimum distance =  2.32703665078873 Angstroms
sigma value = 33


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

Energy: 2.412460515135913
Energy: 1.525100629408362
Energy: 1.8281761507986638
Energy: 1.824433729493348
Energy: 1.4409661668045577
Energy: 1.9295917808423966
Energy: 1.6621171284119491
Energy: 1.378033940425156
Energy: 1.3780584976621624
Energy: 1.3776849894737127
Energy: 1.3781286992423616
Energy: 1.3773903928145166
Energy: 1.947323516226675
Energy: 1.387489260615405
Energy: 1.4160009436715688
Energy: 1.5032830682106173
Energy: 1.3877303774327783
Energy: 1.5402142987665317
Energy: 1.8649846070985523
Energy: 1.5275324006326942
Energy: 1.5185802445171575
Energy: 1.4606207033348826
Energy: 1.5247687645701806
Energy: 1.4288519101702637
Energy: 1.8303281405773426
Energy: 1.5196675028240962
Energy: 1.518468412926341
Energy: 1.409610171825435
Energy: 1.5191353276693607
Energy: 1.5504197313636856
Energy: 1.9109481486866327
Energy: 1.562314443443426
Energy: 1.5642391543504692
Energy: 1.5296645876540584
Energy: 1.5336174584182332
Energy: 1.5135452040000263
Energy: 1.9097046715638053
Energy: 1.5180040054400783
Energy: 1.520056781139785
Energy: 1.5177640556856509
Energy: 1.5564405319590506
Energy: 1.5165601522156906
Energy: 1.827135678285091
Energy: 1.4851062417393373
Energy: 1.4849668757987007
Energy: 1.6184617024774675
Energy: 1.4864036381787618
Energy: 1.4869828506149005
Energy: 1.6011865460415724
Energy: 1.4948783147700344
Energy: 1.552936058491922
Energy: 1.563827976926102
Energy: 1.494781540762551
Energy: 1.556211561912573
Energy: 1.6019833979805227
Energy: 1.5652620502922243
Energy: 1.5479181115859764
Energy: 1.5469775003676836
Energy: 1.5482470649115192
Energy: 1.5503192011121727
Energy: 1.7885923598140612
Energy: 1.8231968442231026
Energy: 1.8228885945992785
Energy: 1.4805802182395942
Energy: 1.8235507875567856
Energy: 1.8321563280114552
Energy: 1.5227305288567308
Energy: 1.349739035185187
Energy: 1.5075297644704029
Energy: 1.5228079187344727
Energy: 1.3230628161155538
Energy: 1.5060712623924541
Energy: 1.5024234648373993
Energy: 1.5653936818226848
Energy: 1.5398597910568184
Energy: 1.5022087498838186
Energy: 1.5718879462334832
Energy: 1.5062099578831964
Energy: 1.6543976941174938
Energy: 1.730509836690421
Energy: 1.4588763344205573
Energy: 1.7829737106237022
Energy: 1.7295926151197114
Energy: 1.4622814742789436
Energy: 1.611288086518442
Energy: 1.5671436075875922
Energy: 1.5405920293588897
Energy: 1.5203048343566055
Energy: 1.5668458047185543
Energy: 1.5423832498396157
Energy: 1.6058539830763072
Energy: 1.5213657126310025
Energy: 1.5182957984429042
Energy: 1.5588110147781093
Energy: 1.5577672142608823
Energy: 1.5623711933361448
Energy: 1.757998830437214
Energy: 1.5289291966989105
Energy: 1.544750967421176
Energy: 1.60625784859096
Energy: 1.5332762640786597
Energy: 1.4330569448688342
Energy: 1.6620610862097358
Energy: 1.5659706183725415
Energy: 1.5725966618790117
Energy: 1.4847394938546332
Energy: 1.6168678373528518
Energy: 1.4873583895640008
Energy: 1.6614100217850605
Energy: 1.4512875925352577
Energy: 1.5896666896212894
Energy: 1.4865355953657549
Energy: 1.4471545295848285
Energy: 1.4069988351439073
Energy: 1.8240127129781292
Energy: 1.4226018043771924
Energy: 1.4249734721363132
Energy: 1.601047211951797
Energy: 1.4238140274646398
Energy: 1.4228275864532827
Energy: 1.9588005565188014
Energy: 1.422856784624275
Energy: 1.3896178304666393
Energy: 1.362434133441582
Energy: 1.490870446813079
Energy: 1.350230955356873
Energy: 1.5586158399208656
Energy: 1.3955092543623049
Energy: 1.3955995755205965
Energy: 1.4646844237170924
Energy: 1.395723359626342
Energy: 1.3512266645355273
Energy: 1.7911071891175747
Energy: 1.3874355336120978
Energy: 1.540982174547438
Energy: 1.5827471300524343
Energy: 1.3874626520344029
Energy: 1.3712879442211985
Energy: 2.013573853829323
Energy: 1.5354055465940448
Energy: 1.6904131302996286
Energy: 1.7300174796818193
Energy: 1.571343881972929
Energy: 1.7305447725546335
Energy: 1.7754963206997767
Energy: 1.5191970563821549
Energy: 1.5194209604296331
Energy: 1.583452240921693
Energy: 1.5203306706578803
Energy: 1.5500602367967433
Energy: 1.9141943656853655
Energy: 1.5615868964112471
Energy: 1.5638354521464815
Energy: 1.5677904483418599
Energy: 1.5749175769948833
Energy: 1.5125284639681427
Energy: 1.8977429399856691
Energy: 1.6021084492325552
Energy: 1.5330600607478255
Energy: 1.532652629057149
Energy: 1.5523924232876227
Energy: 1.537080086004116
Energy: 1.8230857642710343
Energy: 1.4843801553016773
Energy: 1.4883068019640346
Energy: 1.5686483092340604
Energy: 1.485011113363841
Energy: 1.576627668364804
Energy: 1.6027566049470419
Energy: 1.4846474136233434
Energy: 1.4859043993212775
Energy: 1.5507500650649153
Energy: 1.4845888990648208
Energy: 1.5519539712940076
Energy: 1.6024115676431152
Energy: 1.5655375428793277
Energy: 1.5510081475798032
Energy: 1.5482765293261112
Energy: 1.56741632338608
Energy: 1.5493854344524154
Energy: 1.6448297584119966
Energy: 1.287474437715502
Energy: 1.2865894986824906
Energy: 1.5342516730849722
Energy: 1.2845623146967107
Energy: 1.285640591008224
Energy: 1.5208455546793533
Energy: 1.35011362751979
Energy: 1.3218899744272916
Energy: 1.5257397280858251
Energy: 1.3508906083384156
Energy: 1.5283648859131593
Energy: 1.5022668925573555
Energy: 1.5664870618755147
Energy: 1.5383707531059116
Energy: 1.5028488200569214
Energy: 1.5670718575554692
Energy: 1.5080286059895367
Energy: 1.5009761642473873
Energy: 1.7317777715177858
Energy: 1.7307401635924355
Energy: 1.502092726640391
Energy: 1.7294789557430126
Energy: 1.4590303760883505
Energy: 1.5867672749071118
Energy: 1.5668607111272321
Energy: 1.5419280508003377
Energy: 1.516556244825432
Energy: 1.576419136759672
Energy: 1.5413087353654313
Energy: 1.5993254178794958
Energy: 1.5594453524459637
Energy: 1.5583901511017626
Energy: 1.5663343190212726
Energy: 1.5566911514971844
Energy: 1.5574751747876812
Energy: 1.5864826103343264
Energy: 1.588745162017912
Energy: 1.4254356613037586
Energy: 1.4471402486422893
Energy: 1.426831460909848
Energy: 1.5854069004350406
Energy: 1.661235007204373
Energy: 1.572361311464461
Energy: 1.5698122270479895
Energy: 1.4961441949443044
Energy: 1.569224356919206
Energy: 1.5719242844851857
Energy: 1.6621291476350504
Energy: 1.4465364187814278
Energy: 1.4080599099150297
Energy: 1.5196581204272235
Energy: 1.4488929492133151
Energy: 1.4873038630591422
Energy: 1.9894143247726057
Energy: 1.4223772686325222
Energy: 1.4250221756284416
Energy: 1.4145237126776833
Energy: 1.4235619682898886
Energy: 1.5814087989755132
Energy: 2.094983671820152
Energy: 1.3654036155288285
Energy: 1.2998502892100072
Energy: 1.280837533366276
Energy: 1.4090303374398774
Energy: 1.3940017740944226

minimum gb energy = 1.280837533366276 eV
minimum distance =  2.25145417378747 Angstroms
sigma value = 51


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

Energy: 2.1145457948377695
Energy: 1.5602579573523527
Energy: 2.2114937024177204
Energy: 1.775109233788502
Energy: 1.4076725020538405
Energy: 1.7747788259127746
Energy: 1.7277825005401526
Energy: 1.421610064822776
Energy: 1.4154561233357406
Energy: 1.3947101790130303
Energy: 1.4074704919454684
Energy: 1.4164517208711904
Energy: 1.9057446534905909
Energy: 1.4044359394574117
Energy: 1.4034241851964169
Energy: 1.4343456908132943
Energy: 1.4043026272532155
Energy: 1.3488664462470368
Energy: 1.8215930079707925
Energy: 1.4031690573318705
Energy: 1.3536208090618163
Energy: 1.380062682365819
Energy: 1.539626400386153
Energy: 1.3781483946157236
Energy: 1.7736788568673418
Energy: 1.4829876342014383
Energy: 1.4841569693679053
Energy: 1.341240991118239
Energy: 1.483551966733624
Energy: 1.4319515724671776
Energy: 1.6120799342985734
Energy: 1.4333213864929877
Energy: 1.4320251547662102
Energy: 1.430597851369999
Energy: 1.4680975600453259
Energy: 1.4307237185951964
Energy: 1.6123204517777716
Energy: 1.4024179658347138
Energy: 1.4319418164106352
Energy: 1.432697039610966
Energy: 1.4330023223816386
Energy: 1.4312855882282864
Energy: 1.622744222297192
Energy: 1.2985509920846967
Energy: 1.2943050604392556
Energy: 1.5187248249033731
Energy: 1.2991440762802091
Energy: 1.2979925784375892
Energy: 1.4037006612177771
Energy: 1.2966135871377966
Energy: 1.2967368436122613
Energy: 1.4037746463225327
Energy: 1.294485815231955
Energy: 1.4009378054862252
Energy: 1.4012672302803235
Energy: 1.36193545262169
Energy: 1.4158150394612998
Energy: 1.4012699288020138
Energy: 1.355800854911825
Energy: 1.4160112516352077
Energy: 1.40010406675949
Energy: 1.517911025404998
Energy: 1.518040891941769
Energy: 1.4053889804151847
Energy: 1.4021755358499952
Energy: 1.5019754700891794
Energy: 1.4645965850937794
Energy: 1.3612274048991178
Energy: 1.4157536516082871
Energy: 1.4156918838577834
Energy: 1.3387975127398795
Energy: 1.4159284637787695
Energy: 1.4426210946659286
Energy: 1.3354204603496533
Energy: 1.3322306699169935
Energy: 1.4276366431961425
Energy: 1.4193513643307214
Energy: 1.428675340352966
Energy: 1.44396398630416
Energy: 1.6783836833537544
Energy: 1.6778801624061914
Energy: 1.433737611090762
Energy: 1.6785348007060938
Energy: 1.4864677732967952
Energy: 1.728025150047389
Energy: 1.3880794118698152
Energy: 1.3760084741512408
Energy: 1.3802705480248714
Energy: 1.40091032086095
Energy: 1.3751102668434976
Energy: 1.7399321925895772
Energy: 1.4344356363470887
Energy: 1.4336575620211929
Energy: 1.568935497836481
Energy: 1.4335059885546255
Energy: 1.451766036073164
Energy: 1.7521205373142203
Energy: 1.434376082503688
Energy: 1.4342603042538846
Energy: 1.4818481790106417
Energy: 1.4346805893349346
Energy: 1.4512088517595172
Energy: 1.9403779502753953
Energy: 1.415720445256944
Energy: 1.392951020300158
Energy: 1.2902337067441192
Energy: 1.4207036815694392
Energy: 1.399533036602208

minimum gb energy = 1.2902337067441192 eV
minimum distance =  2.32792640620182 Angstroms
sigma value = 19


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

Energy: 1.855171465373375
Energy: 1.494917769870003
Energy: 1.54332385864273
Energy: 1.5449124024502807
Energy: 1.6260077255292233
Energy: 1.6205856374830439
Energy: 1.9039167496566254
Energy: 1.3408696229281574
Energy: 1.3409586220596807
Energy: 1.279743703886954
Energy: 1.3408062068165585
Energy: 1.3413468498412129
Energy: 2.0002555260057155
Energy: 1.3941185967146743
Energy: 1.3600713744310062
Energy: 1.3362469558265122
Energy: 1.340861323784751
Energy: 1.3943873014767223
Energy: 1.5565822621596845
Energy: 1.4210299346658632
Energy: 1.420372041514198
Energy: 1.4705188369750937
Energy: 1.4202869811155896
Energy: 1.3735587264164062
Energy: 1.997328536348636
Energy: 1.4281671804950433
Energy: 1.4226729925819566
Energy: 1.2689050896323275
Energy: 1.4204761385733478
Energy: 1.4295838879795126
Energy: 1.6631740098806318
Energy: 1.3051085498670316
Energy: 1.4386524175803928
Energy: 1.4103310398929205
Energy: 1.3050040683225688
Energy: 1.4045252391505245
Energy: 1.6650842358173157
Energy: 1.459287585233359
Energy: 1.4079339568934006
Energy: 1.4089043655130233
Energy: 1.380464126127487
Energy: 1.401890978236902
Energy: 1.5661408974148723
Energy: 1.136797618408962
Energy: 1.1392634983698926
Energy: 1.5701343787790016
Energy: 1.2537134843613957
Energy: 1.168892733178539
Energy: 1.4089846058300417
Energy: 1.1396296075349481
Energy: 1.150779153184189
Energy: 1.40920854863441
Energy: 1.1383701206435488
Energy: 1.222748059173546
Energy: 1.4087544392484184
Energy: 1.4084746729523694
Energy: 1.410085998299738
Energy: 1.4088058066582156
Energy: 1.5591752943336141
Energy: 1.4109235303746757
Energy: 1.4703031579295311
Energy: 1.471245996737897
Energy: 1.4714738431511347
Energy: 1.4708888140119312
Energy: 1.4719317427142748
Energy: 1.4545811963863093
Energy: 1.5682857068714722
Energy: 1.5187020070659447
Energy: 1.4633228779461132
Energy: 1.4295205290092938
Energy: 1.4294089023107153
Energy: 1.431731483361495
Energy: 1.304606973609841
Energy: 1.4105773326754325
Energy: 1.5428026266561117
Energy: 1.3048191442637607
Energy: 1.4125133715471527
Energy: 1.5423723410701797
Energy: 1.5700748498176746
Energy: 1.5495194822667604
Energy: 1.5493697336651013
Energy: 1.4539246754527992
Energy: 1.5489330543647246
Energy: 1.5513313775728652
Energy: 1.8115156678093263
Energy: 1.4097491227984744
Energy: 1.4099629979080779
Energy: 1.1385363927471748
Energy: 1.409202587425288
Energy: 1.2227620388693512
Energy: 1.755611960311949
Energy: 1.4582609942272553
Energy: 1.2529435551737989
Energy: 1.545948969078434
Energy: 1.4063556421093188
Energy: 1.3709970813673429
Energy: 1.923199252242452
Energy: 1.4087260221910862
Energy: 1.4107721583546946
Energy: 1.4433181519233376
Energy: 1.409384820958496
Energy: 1.4107447754892837
Energy: 1.5535167327027468
Energy: 1.4095783112201996
Energy: 1.4098507421618995
Energy: 1.4705549319510083
Energy: 1.4094175132395166
Energy: 1.4095121311831675
Energy: 1.5535672626188892
Energy: 1.4040808076484104
Energy: 1.404421849911648
Energy: 1.470656636193528
Energy: 1.403521230730048
Energy: 1.5154884999563725
Energy: 1.66841319096614
Energy: 1.3049495936827389
Energy: 1.4816502367837252
Energy: 1.468917764349321
Energy: 1.304835527366538
Energy: 1.5165019875719254
Energy: 1.6314469458256287
Energy: 1.4109910115773772
Energy: 1.465581798351615
Energy: 1.5483044438958886
Energy: 1.441854723920441
Energy: 1.5574398251054582
Energy: 1.6658901019586385
Energy: 1.4593142069726592
Energy: 1.4626384039200682
Energy: 1.4104156615380719
Energy: 1.4592931156199291
Energy: 1.4109440671482647
Energy: 1.6686642357137782
Energy: 1.5446008141311263
Energy: 1.5443765024366216
Energy: 1.5083173784046497
Energy: 1.5450359114736163
Energy: 1.5442270154638007
Energy: 1.4047070672763968
Energy: 1.3588605028395222
Energy: 1.4095920299622877
Energy: 1.4084162742808213
Energy: 1.2656336406278679
Energy: 1.4051049833797788
Energy: 1.4045782781634337
Energy: 1.4867013442135955
Energy: 1.4093886264609647
Energy: 1.4081555022778667
Energy: 1.4378524016028857
Energy: 1.4046432031171618
Energy: 1.5788489044947758
Energy: 1.4719650371226358
Energy: 1.4715330712585901
Energy: 1.5849601242194016
Energy: 1.471033666719038
Energy: 1.2700520561828932
Energy: 1.6495730398697244
Energy: 1.5360314104354134
Energy: 1.470203064411407
Energy: 1.306508667586953
Energy: 1.4713940104456735
Energy: 1.4029818065139898
Energy: 1.30480554517357
Energy: 1.4052683758814635
Energy: 1.3426196140450422
Energy: 1.3047794541106448
Energy: 1.3945390978367707
Energy: 1.4585891274273122
Energy: 1.6509383708851892
Energy: 1.3434059472126332
Energy: 1.3411388012040548
Energy: 1.3041372685360253
Energy: 1.3441020340223218
Energy: 1.3973543217002462
Energy: 1.88802098240426
Energy: 1.3765590493621567
Energy: 1.1688377362545048
Energy: 1.137957467201928
Energy: 1.5038257452058574
Energy: 1.215849353728529

minimum gb energy = 1.136797618408962 eV
minimum distance =  2.34741622495815 Angstroms
sigma value = 27


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

Energy: 1.4863355208773836
Energy: 1.4723510164476241
Energy: 1.475857421453739
Energy: 1.3996289844947507
Energy: 2.0498465969060127
Energy: 2.021140136135309
Energy: 1.3436404453712607
Energy: 1.2957655682261913
Energy: 1.295898219388292
Energy: 1.2480985868734602
Energy: 1.2957560464097835
Energy: 1.2955184214585167
Energy: 1.3475384485401556
Energy: 1.2870427292134
Energy: 1.2848893484324608
Energy: 1.2771821481510361
Energy: 1.2861060929697652
Energy: 1.284644285427014
Energy: 1.1983471844802083
Energy: 1.2284539250586237
Energy: 1.229828600328675
Energy: 1.2778823554857117
Energy: 1.5984906658321987
Energy: 1.2282754677438132
Energy: 1.4920903974527786
Energy: 1.3636659341415858
Energy: 1.249186288968545
Energy: 1.3821776566809194
Energy: 1.3631814821895893
Energy: 1.13671421977345
Energy: 1.2849972493367194
Energy: 1.3647694697821096
Energy: 1.3652122664063482
Energy: 1.2849399966323427
Energy: 1.4030970417164124
Energy: 1.1412322047619752
Energy: 1.2859054931654714
Energy: 1.193734739471267
Energy: 1.193706609301547
Energy: 1.2865292306458762
Energy: 1.2480131908020848
Energy: 1.2866940913481062
Energy: 1.3609846890236523
Energy: 1.2240762219695267
Energy: 1.2249059753269596
Energy: 1.3610935236458048
Energy: 1.2230078939529812
Energy: 1.282987141929582
Energy: 1.3484899507600587
Energy: 1.2247185329667538
Energy: 1.2617269738743506
Energy: 1.3565212212062907
Energy: 1.2722601692567825
Energy: 1.261517164978131
Energy: 1.3492584685351292
Energy: 1.2560615183589625
Energy: 1.2013066577105311
Energy: 1.2999307119383476
Energy: 1.301091658350899
Energy: 1.3010549696156004
Energy: 1.3472473582971334
Energy: 1.3092142007805232
Energy: 1.3111380305484115
Energy: 1.3006842636907419
Energy: 1.3082819969118717
Energy: 1.3108377316017181
Energy: 1.347119570985838
Energy: 1.285107478163175
Energy: 1.2851963518509102
Energy: 1.2481224855406374
Energy: 1.2849262669046815
Energy: 1.285434470970871

minimum gb energy = 1.13671421977345 eV
minimum distance =  2.31895364402427 Angstroms
sigma value = 9


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

Energy: 2.2812482731054113
Energy: 1.3426246414348413
Energy: 1.338259267298278
Energy: 1.5967482294301214
Energy: 1.4791861477596253
Energy: 1.4840968221975481
Energy: 1.3286125356909486
Energy: 1.1261445155496559
Energy: 1.1266490328604506
Energy: 1.0924593387200159
Energy: 1.1265630635067796
Energy: 1.1266309706202382
Energy: 1.1363018562862868
Energy: 1.1069694015911107
Energy: 1.107415610260443
Energy: 1.0926177889053859
Energy: 1.1065369413913986
Energy: 1.1075416779309242
Energy: 1.485293291681826
Energy: 1.0698574982019593
Energy: 1.1865398632920134
Energy: 1.0686458357950175
Energy: 1.295471457768188
Energy: 1.3082775514913798
Energy: 1.3141168964246515
Energy: 1.1611952136733574
Energy: 1.3359999988916338
Energy: 1.15776545317306
Energy: 1.2019937486391046
Energy: 1.2466951466055431
Energy: 1.1739114997814895
Energy: 1.4292398176482668
Energy: 1.2497522112709982
Energy: 1.17427963436372
Energy: 1.4225691665523794
Energy: 1.1204412401403623
Energy: 1.1715076745554227
Energy: 1.0950400765904245
Energy: 1.213657934693543
Energy: 1.1719951640088584
Energy: 1.1165841350445145
Energy: 1.1724214435990443
Energy: 1.1627060469960524
Energy: 1.2951522521853673
Energy: 1.164575445902455
Energy: 1.1634192699918642
Energy: 1.2905871800385171
Energy: 1.1598100592217424
Energy: 1.1079161514231979
Energy: 1.1418905404283697
Energy: 1.230763421660291
Energy: 1.099140891526056
Energy: 1.1830428855807174
Energy: 1.1382822806860329
Energy: 1.7488793316947837
Energy: 1.1975907987500278
Energy: 1.164950501581823
Energy: 0.9752944013011451
Energy: 1.2713322564496068
Energy: 1.1551800045863965
Energy: 1.053259330260014
Energy: 1.1589968198652927
Energy: 1.1590883362740327
Energy: 0.9753871908659438
Energy: 1.158763452446586
Energy: 1.1588619572613224
Energy: 1.1087271249982342
Energy: 1.1762018964112309
Energy: 1.1765734717125476
Energy: 1.1162860941007833
Energy: 1.1756181762404299
Energy: 1.175060615477695
Energy: 2.010338214095481
Energy: 1.1449478984709125
Energy: 1.4692646736274528
Energy: 1.3153134906336197
Energy: 1.1419106533767875
Energy: 1.4685183916701567
Energy: 1.2284158884983125
Energy: 1.1714877402882347
Energy: 1.133352095864035
Energy: 1.1165492123960206
Energy: 1.1718721986154983
Energy: 1.1082157251458749
Energy: 1.1074132751580619
Energy: 1.1751738323839138
Energy: 1.1814128077547092
Energy: 1.107012651839336
Energy: 1.174446114750006
Energy: 1.3672905021740862
Energy: 1.1269891171402595
Energy: 1.1401048150874213
Energy: 1.1507387898044013
Energy: 1.1281082391392803
Energy: 1.1257749715003464
Energy: 1.1264483713829772
Energy: 1.1258903578293216
Energy: 1.27407821053545
Energy: 1.1754992287109336
Energy: 1.1260151185102794
Energy: 1.1430006281207086
Energy: 1.1267339217931207
Energy: 1.1366361834811856
Energy: 1.1266124810282432
Energy: 1.175024656789468
Energy: 1.1381865743289006
Energy: 1.1620479281539635
Energy: 1.174008502887086
Energy: 1.1357207838886556
Energy: 1.126925713335233
Energy: 1.1102170171159091
Energy: 1.1076601116942952
Energy: 1.1246176139242476
Energy: 1.161926180814276
Energy: 1.1361287678309833
Energy: 1.1063665596669907
Energy: 1.1070978705467143
Energy: 1.1060596546309878
Energy: 1.1058402233290379
Energy: 1.13578854597761
Energy: 1.1361682965389006
Energy: 1.10806943354256
Energy: 1.1078764979812907
Energy: 1.1082111548182847
Energy: 1.1079128071679099
Energy: 1.1281045385941075
Energy: 1.198894177930859
Energy: 1.1251419573257553
Energy: 1.1842321418327302
Energy: 1.2015116580624035
Energy: 1.1383064819284736
Energy: 1.0813787227973033
Energy: 1.191662163172277
Energy: 1.126145294195351
Energy: 1.1264318069411934
Energy: 1.208941121278683
Energy: 1.125913669841668
Energy: 1.2564422588242008
Energy: 1.1361396527461407
Energy: 1.1069177924489806
Energy: 1.1071767669430443
Energy: 1.1241443705735747
Energy: 1.1070261117308664
Energy: 1.1078470673282441
Energy: 1.476202387142685
Energy: 1.1066321649285877
Energy: 1.3116680314270535
Energy: 1.3556505039575488
Energy: 1.1141503704429154
Energy: 1.351966726853161
Energy: 1.407067621498543
Energy: 1.0962889975790553
Energy: 1.0863771978168588
Energy: 1.1339666019706687
Energy: 1.0897061573979254
Energy: 1.174151027078995
Energy: 1.2978782010650085
Energy: 1.5199729959842714
Energy: 1.5185857304365868
Energy: 1.298670146315764
Energy: 1.5190482112786392
Energy: 1.28226680856291
Energy: 1.1771348050839134
Energy: 1.199588299460014
Energy: 1.1617281800847281
Energy: 1.1754859130046884
Energy: 1.0966173388380505
Energy: 1.1747895430749387
Energy: 1.1596836105354211
Energy: 1.2068948363476328
Energy: 1.197140232268305
Energy: 1.159582343593461
Energy: 1.1419081662641182
Energy: 1.160283142819813
Energy: 1.2713225144805644
Energy: 1.2946474692324015
Energy: 1.2309272796256148
Energy: 1.2715692371902376
Energy: 1.2905563175211734
Energy: 1.1649656685408516
Energy: 1.052547067178747
Energy: 1.1654277507433168
Energy: 1.1647126480497745
Energy: 1.0817272830211775
Energy: 1.1971039039544897
Energy: 1.2589424523453223
Energy: 1.7489333596182681
Energy: 1.1592188946033408
Energy: 1.1580318556834013
Energy: 1.0258376615595992
Energy: 1.1584781141900704
Energy: 1.1547260555534742
Energy: 1.1265049572238588
Energy: 1.1712169371365577
Energy: 1.1713752863375098
Energy: 1.1160680251491972
Energy: 1.171076487623019
Energy: 1.1710359722941275
Energy: 1.4726637914261904
Energy: 1.1755485714181597
Energy: 1.1755899397716347
Energy: 1.1033396365245887
Energy: 1.175699809024094
Energy: 1.1283068741469735
Energy: 1.1235916713273701
Energy: 1.1758512112227975
Energy: 1.175678758598974
Energy: 1.1039332204103183
Energy: 1.1758756886392199
Energy: 1.3377863728355008
Energy: 1.295254879597105
Energy: 1.1480058810503682
Energy: 1.093632262691379
Energy: 1.2954201609297495
Energy: 1.1489634777417121
Energy: 1.1890532350030558
Energy: 1.1298269390591114
Energy: 1.093570692277325
Energy: 1.1049559465582468
Energy: 1.1305179447509563
Energy: 1.121705963133009
Energy: 1.1074096258026962
Energy: 1.125108178310021
Energy: 1.1238217802004704
Energy: 1.0790752375212993
Energy: 1.125322995738479
Energy: 1.1133629501357545
Energy: 1.1259679126081945
Energy: 1.5310592317413403
Energy: 1.4865883399574935
Energy: 1.4865489977633963
Energy: 1.530973340377606
Energy: 1.4859572154541318
Energy: 1.1336796162095426
Energy: 1.134973874438562
Energy: 1.1243683421522237
Energy: 1.0790958430612436
Energy: 1.125028801970524
Energy: 1.1048691149594831
Energy: 1.1570174079757563
Energy: 1.1349528626024008
Energy: 1.108637560905999
Energy: 1.0797132313668696
Energy: 1.1157553911859814
Energy: 1.108225355405762
Energy: 1.1182295681353152
Energy: 1.1361051113136904
Energy: 1.1070012254383124
Energy: 1.1068067786956317
Energy: 1.1079096465016476
Energy: 1.1065646784903629
Energy: 1.1349859382344003
Energy: 1.191472757407156
Energy: 1.1259859411929265
Energy: 1.1263834054784951
Energy: 1.206723670391961
Energy: 1.1258781365339336
Energy: 1.2567060004834998

minimum gb energy = 0.9752944013011451 eV
minimum distance =  2.25859473964049 Angstroms
sigma value = 57


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

Energy: 0.6736278771140541
Energy: 0.6645242804079098
Energy: 0.6451547142802678
Energy: 0.5295206953020137
Energy: 0.9503779685765056
Energy: 0.6751637627856306
Energy: 0.6745610798912006
Energy: 0.8511577000580883
Energy: 0.8533502579828777
Energy: 0.8162286507381252
Energy: 0.8219192302815642
Energy: 0.8693771340669875
Energy: 0.9151566373697845
Energy: 0.8616168137212029
Energy: 0.860844930725069
Energy: 0.8717024216781689
Energy: 0.8610132274220649
Energy: 0.8603124373123453
Energy: 0.9161669170008215
Energy: 0.853465765276754
Energy: 0.870543119177067
Energy: 0.8703296136571222
Energy: 0.870418400121828
Energy: 0.8542138843018463
Energy: 0.9118844511289693
Energy: 0.5266633532600242
Energy: 0.5749062837760139
Energy: 0.935952718090942
Energy: 0.5263434647742287
Energy: 0.8958610956507299
Energy: 0.8636141841111304
Energy: 0.5263246207313942
Energy: 0.5267141409047557
Energy: 0.9083332181145237
Energy: 0.5262271531298549
Energy: 0.5743830699060479
Energy: 0.8580565991105474
Energy: 0.818147256948969
Energy: 0.8763031410923137
Energy: 0.8589468387235638
Energy: 0.8573608188478296
Energy: 0.8934937061831533
Energy: 0.8641207837415529
Energy: 0.9391517756112172
Energy: 0.938495953931045
Energy: 0.8638148228775469
Energy: 0.9392163376487948
Energy: 0.864097771767575
Energy: 0.9267452832339806
Energy: 0.8973975748702524
Energy: 0.8601864543076042
Energy: 0.8579431916757706
Energy: 0.8614044403433724
Energy: 0.8592234786097209
Energy: 0.5260573908007198
Energy: 0.8645813884245847
Energy: 0.5765536395696992
Energy: 0.5261656694954429
Energy: 0.8648240277522037
Energy: 0.5289104109278925
Energy: 0.5261800936153136
Energy: 0.8269031684140927
Energy: 0.8280249723049902
Energy: 0.5263159209847407
Energy: 0.8264054350776076
Energy: 0.5747959933761556
Energy: 0.9301105035320048
Energy: 0.8625118691788829
Energy: 0.8981560409037063
Energy: 0.945456264390564
Energy: 0.8617678838056442
Energy: 0.8983132704660393
Energy: 0.9292290974247157
Energy: 0.936702917393346
Energy: 0.9364895896179335
Energy: 0.9374573624621265
Energy: 0.931572525657245
Energy: 0.9372192586519185
Energy: 0.9260634960175165
Energy: 0.8570316879638912
Energy: 0.8577036939562795
Energy: 0.9282870745586811
Energy: 0.8573247643050663
Energy: 0.8594508930344558
Energy: 0.9047390174977411
Energy: 0.5259640449301466
Energy: 0.5261477546984771
Energy: 0.8457012739524287
Energy: 0.5263029827284289
Energy: 0.527034128961881
Energy: 0.847801501513209
Energy: 0.8711189842976483
Energy: 0.8996069492646349
Energy: 0.8698204920950704
Energy: 0.5263601451745863
Energy: 0.8451069164612467
Energy: 0.8488891537554765
Energy: 0.8150469884335858
Energy: 0.9026623822095908
Energy: 0.8711542816279568
Energy: 0.8611996543144982
Energy: 0.8496255773852132
Energy: 0.9490925194773261
Energy: 0.9322076166504152
Energy: 0.9298279380993177
Energy: 0.9393079355702019
Energy: 0.8605781312699763
Energy: 0.854563847539963
Energy: 0.6745207811744296
Energy: 0.9920409392802635
Energy: 0.9571962237527626
Energy: 0.5263334321708943
Energy: 1.003813481694461
Energy: 0.8592047218735566

minimum gb energy = 0.5259640449301466 eV
minimum distance =  2.36471610917695 Angstroms
sigma value = 11


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

Energy: 1.8431583576697943
Energy: 1.8859921479795758
Energy: 1.263464972932807
Energy: 1.638144453967967
Energy: 1.3155018008540384
Energy: 1.262902587986643
Energy: 0.9559669218553364
Energy: 0.9240011649313751
Energy: 0.9783340958403355
Energy: 0.9852474723984642
Energy: 0.923895041408648
Energy: 1.0208377407216724
Energy: 0.9247758451657487
Energy: 0.9254534204010576
Energy: 0.9544109431128688
Energy: 0.9262549694754755
Energy: 0.9260200768550548
Energy: 0.9545723546907254
Energy: 0.9247470111599333
Energy: 1.0056194656418582
Energy: 1.0582522300128536
Energy: 0.9258968274568545
Energy: 0.9274215166054793
Energy: 0.9528847513769182
Energy: 0.926097277927748
Energy: 1.0726311275934415
Energy: 1.0239179691003715
Energy: 0.9259638576603565
Energy: 1.1484247012150277
Energy: 0.9805306511058972
Energy: 1.2423456414492382
Energy: 1.3256136646995085
Energy: 1.3266063278302298
Energy: 1.2434900403440765
Energy: 1.3253673885773558
Energy: 1.012753685035253
Energy: 1.0024639723601938
Energy: 0.9682500651103944
Energy: 1.039432299870662
Energy: 0.9248159708781444
Energy: 1.0109913661448493
Energy: 1.0087820167815296
Energy: 0.9557414208375762
Energy: 1.0176742064626119
Energy: 1.0187188039719777
Energy: 0.9564035275221345
Energy: 1.0171943916127937
Energy: 1.1927334688720272
Energy: 1.2407386477559106
Energy: 1.0100591787420559
Energy: 0.9545535147756449
Energy: 0.9563008159748209
Energy: 1.0099704728033048
Energy: 0.9466458815539249
Energy: 1.5875503037832621
Energy: 1.0141332564515895
Energy: 1.0147591450193132
Energy: 1.4896936466604673
Energy: 1.0145516690440068
Energy: 1.1461330257279936
Energy: 1.3107724104881049
Energy: 1.009823901479504
Energy: 1.0367478911107697
Energy: 1.1468841202452005
Energy: 1.236492125247127
Energy: 1.0365889730431148
Energy: 1.2415181960292725
Energy: 0.8897614296985263
Energy: 1.005354814722094
Energy: 1.2410237977362222
Energy: 0.8934270265933242
Energy: 0.9846857014586061
Energy: 1.1534740155075414
Energy: 0.8911759677336155
Energy: 1.0407781482462415
Energy: 1.153858658063411
Energy: 0.8936314009472055
Energy: 1.1536322482140797
Energy: 1.15005967390263
Energy: 0.9840303887727485
Energy: 1.104909821603643
Energy: 1.1481959656595446
Energy: 1.0823021873985035
Energy: 1.0903930109704316
Energy: 1.1481293600062907
Energy: 1.4813768920798396
Energy: 1.484531997254891
Energy: 1.148334700054307
Energy: 1.4721748491983422
Energy: 1.1480855239583982
Energy: 1.5809387386922398
Energy: 1.0605539779089814
Energy: 1.0041704713843482
Energy: 1.4039341876127518
Energy: 1.1485221050899481
Energy: 1.1230134066969422
Energy: 1.3685616607906965
Energy: 1.4871478385949661
Energy: 1.3299345056256175
Energy: 1.3354328074888584
Energy: 1.603753265129047
Energy: 1.1632067278585643
Energy: 1.6328671253201212
Energy: 1.146959925616403
Energy: 1.144126874234876
Energy: 1.1300620802588088
Energy: 1.1469641129300003
Energy: 1.0511130968697318
Energy: 1.34103226473064
Energy: 1.0628417178713192
Energy: 1.0625236974801142
Energy: 1.0112852442907765
Energy: 1.1490651617010037
Energy: 1.034584235096225
Energy: 1.1617309297498655
Energy: 1.3581432629671726
Energy: 1.1779542515608197
Energy: 1.1582418328617738
Energy: 1.3396321131098399
Energy: 1.2633736795706536
Energy: 1.5803683308025571
Energy: 1.1359476458590323
Energy: 1.0035867467084576
Energy: 1.168071577276057
Energy: 1.1644981374802006
Energy: 1.036337590332061
Energy: 1.0137828916601948
Energy: 1.4145976775911457
Energy: 1.41529946297374
Energy: 1.0138758244424442
Energy: 1.338093399916097
Energy: 1.20418958268791
Energy: 1.0130437463738167
Energy: 0.9503962260369306
Energy: 1.0240847798279646
Energy: 1.01292865881292
Energy: 0.994301005208283
Energy: 1.0261044888637552
Energy: 1.015681724375478
Energy: 0.9559795625936002
Energy: 1.0115494981868796
Energy: 1.0180721185912085
Energy: 0.9279078240501487
Energy: 1.0120195338333342
Energy: 0.9248317743514181
Energy: 0.9247935072718043
Energy: 0.9253110665142782
Energy: 0.9262924234494818
Energy: 0.9260641853112725
Energy: 1.0445848376702958
Energy: 1.5299898625517074
Energy: 0.9526866498950097
Energy: 0.9796196746689925
Energy: 1.1665718310732989
Energy: 0.9274898312851131
Energy: 0.9488293256144202

minimum gb energy = 0.8897614296985263 eV
minimum distance =  2.32727050332424 Angstroms
sigma value = 41


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

Energy: 1.7899023988862035
Energy: 1.0671346917622906
Energy: 1.0671026547748925
Energy: 1.4254004735873023
Energy: 1.1143983185699093
Energy: 1.366771266391257
Energy: 1.0724005632214861
Energy: 1.0224362229472312
Energy: 1.089036741659903
Energy: 1.0476397436348044
Energy: 1.0222837318769378
Energy: 1.0560590639721343
Energy: 1.0251517410327606
Energy: 1.025697494421429
Energy: 1.0260357304745522
Energy: 1.024990150055398
Energy: 1.0245683822988572
Energy: 1.0825164281296824
Energy: 1.0243432274960376
Energy: 1.1039579890407598
Energy: 1.1031977285071675
Energy: 1.0240407258943338
Energy: 1.0230337296543957
Energy: 1.0662046238570237
Energy: 1.023062392785323
Energy: 1.1530399659229187
Energy: 1.1092051931306157
Energy: 1.0229785203137167
Energy: 1.1163594846188938
Energy: 1.0822068156903766
Energy: 1.4458592587697037
Energy: 1.2058183201792894
Energy: 1.166354049890118
Energy: 1.4444772521201588
Energy: 1.2056660071884466
Energy: 1.166933773652588
Energy: 1.1472780247955863
Energy: 1.025258694501765
Energy: 1.0235260763637453
Energy: 1.0228703538213981
Energy: 1.0675458515263536
Energy: 1.1264183163595414
Energy: 1.0729738819492542
Energy: 1.1900781844249115
Energy: 1.1902423164657019
Energy: 1.0735008429449497
Energy: 1.1900197872805443
Energy: 1.1047743288665284
Energy: 1.440956670761555
Energy: 1.133153976327955
Energy: 1.076641868100367
Energy: 1.0593447601965877
Energy: 1.1174760136816642
Energy: 1.0560977091594288
Energy: 1.3932900040743517
Energy: 1.1666584517350245
Energy: 1.166872878891496
Energy: 1.2996506902178182
Energy: 1.166558926614088
Energy: 1.024856328018559
Energy: 1.4586700669229815
Energy: 1.0244357604234202
Energy: 1.0571532410353799
Energy: 1.0223713295267316
Energy: 1.048674510489303
Energy: 1.116201144485217
Energy: 1.6262228810748025
Energy: 1.0067319540757247
Energy: 1.1222439093834842
Energy: 1.442777552968175
Energy: 0.9691182977889006
Energy: 1.062790954136509
Energy: 1.1668442377981276
Energy: 0.9700646830840224
Energy: 1.3413169529627744
Energy: 1.1668765166823105
Energy: 0.9697788534189702
Energy: 1.341418396971754
Energy: 1.1175776605173386
Energy: 1.1021890876990612
Energy: 1.0550884164637089
Energy: 1.117810300340451
Energy: 1.0830723373261906
Energy: 1.089860530136507
Energy: 1.17633810008916
Energy: 1.297580876377942
Energy: 1.2957042462767914
Energy: 1.1768493389277765
Energy: 1.3054232460209896
Energy: 1.1764266892457291
Energy: 1.022424013959094
Energy: 1.0239645196201594
Energy: 1.1260164270634092
Energy: 1.086425199842875
Energy: 1.022648732940223
Energy: 1.0236455189998892
Energy: 1.712777487570475
Energy: 1.55358422242427
Energy: 0.9701805984392825
Energy: 1.409347343175455
Energy: 1.5153590849210834
Energy: 1.3756828913431864
Energy: 1.0718059372454947
Energy: 1.0231200079929585
Energy: 1.0899132896273172
Energy: 1.2612152537486834
Energy: 1.0229622999599313
Energy: 1.0481934344550075
Energy: 1.023471622552121
Energy: 1.0254351118096101
Energy: 1.0260270433945695
Energy: 1.0232955183637584
Energy: 1.0241653046422727
Energy: 1.0941033931175836
Energy: 1.0252026963856795
Energy: 1.094143206383326
Energy: 1.0218891472539195
Energy: 1.0254282123399507
Energy: 1.0237614725126352
Energy: 1.0253736732537768
Energy: 1.0223659713866846
Energy: 1.0750815896648336
Energy: 1.0581562713190977
Energy: 1.022310039719475
Energy: 1.1339836634139293
Energy: 1.126225227760541
Energy: 1.706340233774321
Energy: 1.2060091015331198
Energy: 1.2054638337356134
Energy: 1.705910720429729
Energy: 1.6732690010162077
Energy: 1.2052756556548887
Energy: 1.4394317841216013
Energy: 1.0751569936032106
Energy: 1.058195764897114
Energy: 1.0222664727629214
Energy: 1.1576342576591752
Energy: 1.1262839893390755
Energy: 1.072698145854748
Energy: 1.2030184639231516
Energy: 1.1964388980299066
Energy: 1.0732204369328449
Energy: 1.1767380732553128
Energy: 1.1828954698312049
Energy: 1.441506542297755
Energy: 1.0246297619973812
Energy: 1.056615451767043
Energy: 1.0228607832718206
Energy: 1.1187231210472568
Energy: 1.0556363610327242
Energy: 1.4583848256240062
Energy: 1.0241896502385883
Energy: 1.024973053793207
Energy: 1.0223085245237329
Energy: 1.1665854740260528
Energy: 1.1160962275176673
Energy: 1.3934624462099288
Energy: 1.1667186259258568
Energy: 1.0240937418234521
Energy: 1.2999580824156187
Energy: 1.440972127741113
Energy: 1.0571689463932823
Energy: 1.4413424472139251
Energy: 1.007365367496771
Energy: 1.115699980101914
Energy: 1.0256389598522415
Energy: 0.9685788096878701
Energy: 1.0558192682298033
Energy: 1.1667697836078208
Energy: 1.420674488747748
Energy: 1.3795874910326327
Energy: 1.16668491423564
Energy: 1.418584022458441
Energy: 1.3791786077351778
Energy: 1.116744816639439
Energy: 1.0553011395137657
Energy: 1.1494996244143136
Energy: 1.117044612047474
Energy: 1.056399555066766
Energy: 1.149193634261015
Energy: 1.1889578753588765
Energy: 1.2737995690863555
Energy: 1.1610951376466123
Energy: 1.1894406968785727
Energy: 1.3064857074663216
Energy: 1.160405306128233
Energy: 1.0226891429041245
Energy: 1.026582012919905
Energy: 1.0930104619394267
Energy: 1.0227115544685397
Energy: 1.0231489821791804
Energy: 1.0669090260148442
Energy: 1.7127353106628835
Energy: 1.0495526709413687
Energy: 0.9697905667992403
Energy: 1.4095110407833797
Energy: 1.4427696243805381
Energy: 1.0483591939088508

minimum gb energy = 0.9685788096878701 eV
minimum distance =  2.31645517506114 Angstroms
sigma value = 33


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

Energy: 1.3812507103033462
Energy: 1.1200203944062241
Energy: 1.1204286413031923
Energy: 1.3843341137329699
Energy: 1.3314844203267993
Energy: 1.1207936038915813
Energy: 1.2960160814642723
Energy: 1.1230667208156948
Energy: 1.087104027840865
Energy: 1.0885748919077165
Energy: 1.126074329006147
Energy: 1.0868416520481665
Energy: 1.1308056393052845
Energy: 1.0909149013915564
Energy: 1.0917798803051872
Energy: 1.1309138774899816
Energy: 1.1792780352220351
Energy: 1.094685978261519
Energy: 1.1336471916922781
Energy: 1.1328587613626744
Energy: 1.0908764656509007
Energy: 1.1310641494894427
Energy: 1.176975491695121
Energy: 1.089508456462299
Energy: 1.1273779438507205
Energy: 1.0915660460617156
Energy: 1.0537117978099564
Energy: 1.1234930605289288
Energy: 1.133199043869855
Energy: 1.1904822711431016
Energy: 1.2325570621361543
Energy: 1.0606107942686513
Energy: 1.061956808790805
Energy: 1.2317869789322098
Energy: 1.4917298536923598
Energy: 1.0603260776857981
Energy: 1.294587586052913
Energy: 1.0537345621904213
Energy: 1.0916373318582864
Energy: 1.1279897186264813
Energy: 1.0906205411899788
Energy: 1.0889738667784135
Energy: 1.1922740831705545
Energy: 1.1023864868098276
Energy: 1.1288824528214598
Energy: 1.1999312826602178
Energy: 1.1037779906733374
Energy: 1.0917625959719517
Energy: 1.197349324774636
Energy: 1.051199726279103
Energy: 1.051085605318215
Energy: 1.205459584338465
Energy: 1.0538532853513662
Energy: 1.0512744886868572
Energy: 1.2949778510624634
Energy: 1.057142186834646
Energy: 1.0607428735334203
Energy: 1.1305449176878375
Energy: 1.0600877845471501
Energy: 1.0543978877062805
Energy: 1.295094799414601
Energy: 1.1719417079969432
Energy: 1.0919589595099823
Energy: 1.1321317933821418
Energy: 1.1395408092105703
Energy: 1.0907452429111146
Energy: 1.1950352071862465
Energy: 1.052868238550112
Energy: 1.051723023967847
Energy: 1.1946020664448682
Energy: 1.0572957432750398
Energy: 1.0525736950153626
Energy: 1.1262726641344376
Energy: 1.0530967687420505
Energy: 1.0515976039667043
Energy: 1.1260207032186542
Energy: 1.0566444634191812
Energy: 1.2147169438913707
Energy: 1.1284027208113439
Energy: 1.1699037163102304
Energy: 1.0897266697135612
Energy: 1.1299203886561036
Energy: 1.2119432854742536
Energy: 1.0885205273657006
Energy: 1.0530278443292302
Energy: 1.2114601278057375
Energy: 1.128698559425559
Energy: 1.1309351079679741
Energy: 1.1803117838088328
Energy: 1.0909678202160447
Energy: 1.1241719807245314
Energy: 1.1260242151711901
Energy: 1.17844768289331
Energy: 1.1375109364037246
Energy: 1.1283577418029271
Energy: 1.0886606170241573
Energy: 1.6414823663116156
Energy: 1.1608952988859917
Energy: 1.3802966173584161
Energy: 1.4907007680656146
Energy: 1.1640642844020224
Energy: 1.0553802647694557
Energy: 1.1973505413666148
Energy: 1.1253466285303353
Energy: 1.1868771937549532
Energy: 1.1304276497383043
Energy: 1.2070063561482325
Energy: 1.0513755011920192
Energy: 1.1313678742802187
Energy: 1.0542645952723129
Energy: 1.0537752576737778
Energy: 1.132573241284705
Energy: 1.1999320987853725
Energy: 1.088231914062492
Energy: 1.0547108676494674
Energy: 1.0514706449612574
Energy: 1.0513885677056096
Energy: 1.0543869902207776
Energy: 1.1998700890019154
Energy: 1.0936555886596548
Energy: 1.0535515530953947
Energy: 1.0893691639925531
Energy: 1.0517760522344348
Energy: 1.0543702075669497
Energy: 1.1792011461064762
Energy: 1.0532945866927752
Energy: 1.3496678290697994
Energy: 1.063037325045015
Energy: 1.0618417281987422
Energy: 1.349809654274118
Energy: 1.1675175825526563
Energy: 1.3804670464388795
Energy: 1.222446690263425
Energy: 1.1234012802034337
Energy: 1.0908661062615235
Energy: 1.08890879011887
Energy: 1.125081449609125
Energy: 1.051860056214312
Energy: 1.2000986544764887
Energy: 1.8698866854975154
Energy: 1.390837279450896
Energy: 1.0492276750083043
Energy: 1.8202524625391583
Energy: 1.0595765423462202
Energy: 1.2955841811474933
Energy: 1.122895761650476
Energy: 1.088545753317884
Energy: 1.0547748607415919
Energy: 1.1239977647566648
Energy: 1.088717533711166
Energy: 1.1349225660497007
Energy: 1.1802948607519042
Energy: 1.088430979154168
Energy: 1.1302432946709666
Energy: 1.130939548950814
Energy: 1.0940624017986902
Energy: 1.1307334144221142
Energy: 1.0925735474341576
Energy: 1.1290076623082528
Energy: 1.1305530957232295
Energy: 1.1794487766284523
Energy: 1.0898027373429289
Energy: 1.126228196035586
Energy: 1.0528138381585272
Energy: 1.051045004337622
Energy: 1.1268914355873632
Energy: 1.1313214480879124
Energy: 1.087480510787404
Energy: 1.4942458980786888
Energy: 1.0602007998342835
Energy: 1.0606458428835426
Energy: 1.4941130262443791
Energy: 1.4911019413098032
Energy: 1.0618619722268094
Energy: 1.1971407365757618
Energy: 1.0515753346236612
Energy: 1.05115835142401
Energy: 1.126514041236871
Energy: 1.0901896992933835
Energy: 1.0899948507858417
Energy: 1.1933609587133156
Energy: 1.0907929322485939
Energy: 1.0704395448147659
Energy: 1.1988452407955292
Energy: 1.0907758238391947
Energy: 1.0683511518265327
Energy: 1.1996675611932468
Energy: 1.0540871628646593
Energy: 1.0528564115511405
Energy: 1.126284971184549
Energy: 1.0556848679265312
Energy: 1.0518483830682297
Energy: 1.2954042269861858
Energy: 1.1380209581262561
Energy: 1.1378373001656834
Energy: 1.130429967454855
Energy: 1.1406806624444936
Energy: 1.0930435063139272
Energy: 1.2947222309845328
Energy: 1.0895545461183862
Energy: 1.0913386154055265
Energy: 1.1359041669723624
Energy: 1.3772908055997988
Energy: 1.092552613444359
Energy: 1.1996084767115804
Energy: 1.0529998870440043
Energy: 1.0520409694531394
Energy: 1.2008170137286367
Energy: 1.0563386139268354
Energy: 1.051368425926801
Energy: 1.1326343470642128
Energy: 1.2138594635783706
Energy: 1.0493858724689495
Energy: 1.1331364764539464
Energy: 1.0491315799612315
Energy: 1.049295998081203
Energy: 1.1248573504275
Energy: 1.1709265042336976
Energy: 1.0901918778246864
Energy: 1.1259828139113133
Energy: 1.2115408623624755
Energy: 1.0881856433664516
Energy: 1.0785761069242192
Energy: 1.0909239011470773
Energy: 1.0903118934984612
Energy: 1.078576182915273
Energy: 1.131565444791085
Energy: 1.0902360186543005
Energy: 1.125006819684766
Energy: 1.1770925180565341
Energy: 1.178074613227231
Energy: 1.1383462196444905
Energy: 1.1299296209660543
Energy: 1.0874404353328362
Energy: 1.6416696389070438
Energy: 1.12423555596675
Energy: 1.1606812142785512
Energy: 1.4917600234786312
Energy: 1.1244697436277007
Energy: 1.0521583463285884
Energy: 1.1965862633271136
Energy: 1.2431693578400953
Energy: 1.1603579295936761
Energy: 1.1327207274801618
Energy: 1.2067096373741732
Energy: 1.0541588992452235
Energy: 1.1286829466557533
Energy: 1.2917335570454662
Energy: 1.052719088161009
Energy: 1.1439807953746037
Energy: 1.1993670356303043
Energy: 1.0923268493902454
Energy: 1.0580196655497136
Energy: 1.0495981271521628
Energy: 1.0531928163922037
Energy: 1.1387926601394787
Energy: 1.2001688370637955
Energy: 1.0527110334540113
Energy: 1.0515696176016673
Energy: 1.0517701180736205
Energy: 1.0546073874913622
Energy: 1.0524036436809339
Energy: 1.1731573461414015
Energy: 1.0508334530733219
Energy: 1.1754280150414962
Energy: 1.0639028799435226
Energy: 1.0911138728977705
Energy: 1.17409058167541
Energy: 1.1615869863242902
Energy: 1.0963188671610213
Energy: 1.1236556713367847
Energy: 1.1789733413949945
Energy: 1.0893248316192015
Energy: 1.0550862053731838
Energy: 1.1254248380074021
Energy: 1.0876674707970995
Energy: 1.3886862821489536
Energy: 1.455617964192716
Energy: 1.0494277571862365
Energy: 1.0516305269348725
Energy: 1.456386491996492
Energy: 1.1337820136933743

minimum gb energy = 1.0491315799612315 eV
minimum distance =  2.30681130110485 Angstroms
sigma value = 67


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

Energy: 1.605870680959088
Energy: 1.1097702751636298
Energy: 1.1096620999600328
Energy: 1.609960901316542
Energy: 2.318008960052876
Energy: 1.1096101245432928
Energy: 1.3695736345844467
Energy: 1.1230327537553384
Energy: 1.1226543520625478
Energy: 1.2313280136647509
Energy: 1.199407411079856
Energy: 1.1141275095979681
Energy: 1.358527155836608
Energy: 1.072742478398728
Energy: 1.1273504590973082
Energy: 1.2332204759787904
Energy: 1.0726058139532328
Energy: 1.1273046290767081
Energy: 1.2302930645458086
Energy: 1.1250446364550895
Energy: 1.1247494559638083
Energy: 1.2304258445404943
Energy: 1.1410493643660493
Energy: 1.1247383467030974
Energy: 1.2099223063256592
Energy: 1.1426248984232588
Energy: 1.142721022171308
Energy: 1.2104672853986815
Energy: 1.1425508688139667
Energy: 1.1434647880279192
Energy: 1.2116706722423531
Energy: 1.0894509909777788
Energy: 1.2123139989400995
Energy: 1.2118669626261862
Energy: 1.3492647479368403
Energy: 1.2117546680869882
Energy: 1.364705680592575
Energy: 1.141956327189474
Energy: 1.1387423214514667
Energy: 1.3647315820220984
Energy: 1.2109488086584748
Energy: 1.1123859598409414

minimum gb energy = 1.0726058139532328 eV
minimum distance =  2.35654721849772 Angstroms
sigma value = 3


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

Energy: 2.1137346196048648
Energy: 1.5519212833135374
Energy: 1.3909791762662915
Energy: 1.6428754946830668
Energy: 1.6003962094828756
Energy: 1.4029722974166534
Energy: 1.1840148367808405
Energy: 1.3588632606366016
Energy: 1.3054971177144312
Energy: 1.3028475894931704
Energy: 1.4492036965642028
Energy: 1.1938164672768037
Energy: 1.256602266603586
Energy: 1.1854688674765659
Energy: 1.1845976420839954
Energy: 1.2568499738378456
Energy: 1.185355095784254
Energy: 1.1931069943256234
Energy: 1.199614930272099
Energy: 1.1932015604961235
Energy: 1.1929811712504559
Energy: 1.19976753687164
Energy: 1.1845015615582986
Energy: 1.1929343330088114
Energy: 1.1916054121209982
Energy: 1.1946453524468625
Energy: 1.1943187939852444
Energy: 1.19224188198749
Energy: 1.2611034326971409
Energy: 1.1932236771219673
Energy: 1.1922675820335278
Energy: 1.2612860047157253
Energy: 1.195167770789606
Energy: 1.1926794859812184
Energy: 1.2910353737765097
Energy: 1.1942807282017365
Energy: 1.1922861866290526
Energy: 1.421272251662415
Energy: 1.248605028583851
Energy: 1.28099441960754
Energy: 1.4259649386813718
Energy: 1.2178212878545078
Energy: 1.9546090679042063
Energy: 1.6171735325265946
Energy: 1.3796683086170307
Energy: 1.958848929858157
Energy: 1.6163654422194877
Energy: 1.396847340495588
Energy: 1.1948958944961967
Energy: 1.2214431644655945
Energy: 1.2983210672425225
Energy: 1.2551148731036843
Energy: 1.3580362836271715
Energy: 1.2151395242912266
Energy: 1.78524341338794
Energy: 1.2259366357141204
Energy: 1.2258769634172044
Energy: 1.7064087707822706
Energy: 1.2264069219698819
Energy: 1.3519885758010615
Energy: 1.3728184027129315
Energy: 1.2458756568094433
Energy: 1.2463368024238561
Energy: 1.374339252350452
Energy: 1.3747253383170361
Energy: 1.235715807323165
Energy: 1.3655090494781421
Energy: 1.2466359199633033
Energy: 1.195854017443735
Energy: 1.3426653691950876
Energy: 1.1947932888459127
Energy: 1.196830082712833
Energy: 1.349915121021582
Energy: 1.1949529473715528
Energy: 1.1968353533980913
Energy: 1.3293987076272042
Energy: 1.1943817862084372
Energy: 1.1970881129666395
Energy: 1.338756446180289
Energy: 1.1942653668666439
Energy: 1.1943289154363856
Energy: 1.3408602059608707
Energy: 1.2013712731731627
Energy: 1.194869215650216
Energy: 1.7238985421578708
Energy: 1.1965325202522246
Energy: 1.1966779591211576
Energy: 1.2918481779738866
Energy: 1.1961130489434162
Energy: 1.1969405480886035
Energy: 1.451666407682804
Energy: 1.1958404499865452
Energy: 1.2587882071241188
Energy: 1.4539217123451005
Energy: 1.2529956888924039
Energy: 1.2583112691291227
Energy: 1.58919022119958
Energy: 1.2806674387017327
Energy: 1.2809632966770454
Energy: 1.576411494687481
Energy: 1.2179503197155663
Energy: 1.4317644185280909
Energy: 1.3838229522770635
Energy: 1.2659077354022394
Energy: 1.2668709528193554
Energy: 1.3837661610581915
Energy: 1.408853191787376
Energy: 1.2656780222577573
Energy: 1.5371635220892688
Energy: 1.437309208909736
Energy: 1.2390445864841997
Energy: 1.3804129804693395
Energy: 1.1945209783916346
Energy: 1.1933714823566908
Energy: 1.5950369787739418
Energy: 1.2662695547969764
Energy: 1.2390685884837591
Energy: 1.3581129717897313
Energy: 1.2671066314288817
Energy: 1.226012423089206
Energy: 1.273993823350932
Energy: 1.2629651784000686
Energy: 1.265622286371819
Energy: 1.2786268076484881
Energy: 1.2789431490788206
Energy: 1.2704515648226793
Energy: 1.2781713300026032
Energy: 1.2659830124688396
Energy: 1.2742137382276408
Energy: 1.2838846621732403
Energy: 1.2635952287678398
Energy: 1.2753783618330299
Energy: 1.2740043758654527
Energy: 1.2699290026521077
Energy: 1.3440874570100438
Energy: 1.276382680118429
Energy: 1.290910084135371
Energy: 1.3454410822682918
Energy: 1.2743084261065907
Energy: 1.1954361115303533
Energy: 1.1949583703801807
Energy: 1.274919978297976
Energy: 1.196193876247424
Energy: 1.2759881461850524
Energy: 1.190043395200066
Energy: 1.177625832843539
Energy: 1.177222191291818
Energy: 1.176941020889057
Energy: 1.4471828048060826
Energy: 1.1773791427439726
Energy: 2.0008212599622013
Energy: 1.4844684486249415
Energy: 1.3639616280956768
Energy: 1.1789643334987192
Energy: 1.3839884615905724
Energy: 1.3068490465032796
Energy: 1.3184424657000238
Energy: 1.5350409137100725
Energy: 1.3776075012114446
Energy: 1.3189735231208204
Energy: 1.443967292429015
Energy: 1.1774287178749396
Energy: 1.1772360255952858
Energy: 1.1775854294582129
Energy: 1.1771698271400672
Energy: 1.1771417647994478
Energy: 1.4974313425479886
Energy: 1.177523069073859
Energy: 1.2103750769050727
Energy: 1.1864238763087478
Energy: 1.185354324693771
Energy: 1.210090889316531
Energy: 1.186039656878159
Energy: 1.2115398178725942
Energy: 1.2097068689313617
Energy: 1.2493173403698707
Energy: 1.2373884677160036
Energy: 1.2120964657297035
Energy: 1.377341399388157
Energy: 1.2255777119120066
Energy: 1.2118419413007908
Energy: 1.2668488118346781
Energy: 1.243287337846435
Energy: 1.2124031316131454
Energy: 1.3191711050829236
Energy: 1.266243356238324
Energy: 1.219555813184129
Energy: 1.2650061939504114
Energy: 1.2656557739925767
Energy: 1.2091193643744023
Energy: 1.4507777201161627
Energy: 1.2737182504205031
Energy: 1.802542908481066
Energy: 1.4038118901850283
Energy: 1.3222252800712753
Energy: 1.194652866609313
Energy: 1.4035913684960448
Energy: 1.2811959733776979
Energy: 1.2500108549577456
Energy: 1.3720159313622518
Energy: 1.1956118679905106
Energy: 1.2771742994302693
Energy: 1.1947819653592702
Energy: 1.1966333509891096
Energy: 1.2697098667546685
Energy: 1.245810613760772
Energy: 1.246424436528306
Energy: 1.2698448765904626
Energy: 1.4260234422217721
Energy: 1.2424420143627415
Energy: 1.3970616519561339
Energy: 1.2255420727812896
Energy: 1.2257243991792945
Energy: 1.3968056879967146
Energy: 1.2263132778347516
Energy: 1.3521606262750623
Energy: 1.4030940476400249
Energy: 1.1950353812798236
Energy: 1.1950428066758112
Energy: 1.2828684131653574
Energy: 1.3295627392070049
Energy: 1.3530783856745483
Energy: 1.6177249418253556
Energy: 1.1964884488525762
Energy: 1.1959861674989967
Energy: 1.3591333856663248
Energy: 1.1958472243746536
Energy: 1.355539942226423
Energy: 1.3430277020044172
Energy: 1.1944804647864347
Energy: 1.194487179463418
Energy: 1.344715629824729
Energy: 1.2016605324589935
Energy: 1.1951106939752612
Energy: 1.7195530361242688
Energy: 1.1947943270590229
Energy: 1.1960461045533466
Energy: 1.2435277150819897
Energy: 1.1942898516981268
Energy: 1.1963299414589132
Energy: 1.4158847496121387
Energy: 1.194736085416855
Energy: 1.1948348617930387
Energy: 1.308235126260455
Energy: 1.1943913774160702
Energy: 1.1945118594353914
Energy: 1.4147741643378673
Energy: 1.3532635415618466
Energy: 1.349245843120907
Energy: 1.4146949616415077
Energy: 1.2371959095125624
Energy: 1.2907885269500667
Energy: 1.60086183047666
Energy: 1.2805754607424125
Energy: 1.2804776440723395
Energy: 1.6003971510786656
Energy: 1.1843200233713183
Energy: 1.3494496438869625
Energy: 1.3038408742373084
Energy: 1.249699864984064
Energy: 1.1948410125038542
Energy: 1.3779679741042392
Energy: 1.3821351712204262
Energy: 1.1946413935396845
Energy: 1.8415872597323497
Energy: 1.2576351200265126
Energy: 1.2720255932497615
Energy: 1.842458505008303
Energy: 1.2574552480217402
Energy: 1.2724236691067219
Energy: 1.2587823618203466
Energy: 1.26651745942561
Energy: 1.2397517032961498
Energy: 1.2709485243326055
Energy: 1.2599449990596574
Energy: 1.2762226198770263
Energy: 1.2572889974535626
Energy: 1.2799816219068094
Energy: 1.2329613528547902
Energy: 1.2599700815657353
Energy: 1.2752838971537968
Energy: 1.2342772629334462
Energy: 1.270554483381134
Energy: 1.240443132255036
Energy: 1.2400046902097868
Energy: 1.2567669622244733
Energy: 1.2751938949441153
Energy: 1.2394918361423917
Energy: 1.2656050800076104
Energy: 1.1935062266158605
Energy: 1.1932433532621416
Energy: 1.2667931742744252
Energy: 1.1946101010139487
Energy: 1.1932151602081809
Energy: 1.3457974420752825
Energy: 1.193600755923189
Energy: 1.1931672586626223
Energy: 1.3468139665071774
Energy: 1.1957411607957333
Energy: 1.19321770516405
Energy: 1.1835471826412163
Energy: 1.274172601914166
Energy: 1.2376060700783686
Energy: 1.3727831218507955
Energy: 1.4195263456365985
Energy: 1.3066514155330582

minimum gb energy = 1.176941020889057 eV
minimum distance =  2.29257660047521 Angstroms
sigma value = 81


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

Energy: 2.122248597445071
Energy: 1.3365942884738335
Energy: 1.2105556258856038
Energy: 1.2103860213420845
Energy: 1.1868101082370979
Energy: 1.2751162899511534
Energy: 1.2328295165630176
Energy: 1.2610045926056983
Energy: 1.188730962540794
Energy: 1.2545146234313054
Energy: 1.2561236894801946
Energy: 1.2852784632902852
Energy: 1.2678468533728362
Energy: 1.2470900737643709
Energy: 1.2059260865600256
Energy: 1.1874376646346096
Energy: 1.2250262550520088
Energy: 1.2927576272333503
Energy: 1.2727419675448355
Energy: 1.2063608910452646
Energy: 1.3120602287370284
Energy: 1.2711689093442706
Energy: 1.225391857759489
Energy: 1.3041964435723417
Energy: 1.2734381437232194
Energy: 1.3053962926581348
Energy: 1.3272106603650509
Energy: 1.271351567226061
Energy: 1.3476610721988118
Energy: 1.345252242262723
Energy: 1.3716528368075551
Energy: 1.2878731844036457
Energy: 1.2864337382740998
Energy: 1.4194370349820058
Energy: 1.3308882108928068
Energy: 1.264848971825704
Energy: 1.2729449817997731
Energy: 1.27479255386201
Energy: 1.3133192000755263
Energy: 1.292132295426636
Energy: 1.2747027658986734
Energy: 1.3273164384761909
Energy: 1.6986845673544746
Energy: 1.6820138223296548
Energy: 1.5361012274938188
Energy: 1.6988343687179028
Energy: 1.554025532616452
Energy: 1.3547141702485253
Energy: 1.2987299783462434
Energy: 1.2928718502227197
Energy: 1.3290556135969827
Energy: 1.3034507519527636
Energy: 1.2955060355945538
Energy: 1.349186263883832
Energy: 1.3634725569640755
Energy: 1.1608592417018653
Energy: 1.1605867751092191
Energy: 1.363153512201802
Energy: 1.1610189086354423
Energy: 1.1607269829045184
Energy: 1.2812865616572295
Energy: 1.1600072606303724
Energy: 1.1597210069774972
Energy: 1.2877506652888808
Energy: 1.1597635998381612
Energy: 1.254758986169317
Energy: 1.2247059951012642
Energy: 1.408363926094546
Energy: 1.272882321618649
Energy: 1.2247093843394377
Energy: 1.2817715235730158
Energy: 1.274023661545598
Energy: 1.2261487674131082
Energy: 1.2749832736470839
Energy: 1.38653112031179
Energy: 1.2265521313474506
Energy: 1.2741532571102798
Energy: 1.2488893046093363
Energy: 1.2802298914021495
Energy: 1.2737398940425404
Energy: 1.3358928760319162
Energy: 1.3002640966360752
Energy: 1.2756095464161885
Energy: 1.3333089303945316
Energy: 1.7500577745525727
Energy: 1.4137554611210157
Energy: 1.375871315538988
Energy: 1.3168960635083031
Energy: 1.3347303243092692
Energy: 1.3289543864769728
Energy: 1.2799091504730458
Energy: 1.3342767835765994
Energy: 1.3320081856049226
Energy: 1.2800212226537704
Energy: 1.3014039956027783
Energy: 1.3340566853520321
Energy: 1.5265094612934214
Energy: 1.208671907868785
Energy: 1.283520659925617
Energy: 1.526644566217385
Energy: 1.2686355310198687
Energy: 1.3408443287032
Energy: 1.2552933691725148
Energy: 1.3714888008098127
Energy: 1.3327386794409524
Energy: 1.2863720813300004
Energy: 1.3108049983985068
Energy: 1.3326785431196637
Energy: 1.1621295130054718
Energy: 1.3336823586506963
Energy: 1.1598210129033157
Energy: 1.200651079013823
Energy: 1.4089036243014241
Energy: 1.159637533061312
Energy: 1.161755627001164
Energy: 1.359244870805373
Energy: 1.1599980255198374
Energy: 1.1606947170718558
Energy: 1.3159790511376834
Energy: 1.15981003087559
Energy: 1.2560137675874814
Energy: 1.367517417958827
Energy: 1.353638277838729
Energy: 1.2863330017680885
Energy: 1.311790890651505
Energy: 1.3313603779167422
Energy: 1.273962938291149
Energy: 1.2064186563234134
Energy: 1.267366581892333
Energy: 1.2740077536495487
Energy: 1.2256328428672894
Energy: 1.3670815948690724
Energy: 1.2729427860592195
Energy: 1.3330381100699789
Energy: 1.3310856195465832
Energy: 1.2741129415340213
Energy: 1.313755967546622
Energy: 1.2745029734475588
Energy: 1.2751748863656747
Energy: 1.3719046996847184
Energy: 1.3308188879888512
Energy: 1.2762425141133875
Energy: 1.3333920626258888
Energy: 1.33008930944813
Energy: 1.2742767681811558
Energy: 1.3172664354099035
Energy: 1.3124864096637634
Energy: 1.4076691273869921
Energy: 1.2796559392156543
Energy: 1.3131700697949653
Energy: 1.636311828352439
Energy: 1.524994688315919
Energy: 1.2753424698013163
Energy: 1.2677391701984961
Energy: 1.5248987670102665
Energy: 1.3168135896932462
Energy: 1.2328168352062219
Energy: 1.2971114433203383
Energy: 1.273703808412267
Energy: 1.2676082044626948
Energy: 1.2969361959912908
Energy: 1.3168751559854324
Energy: 1.2767069354202372
Energy: 1.1601057957108407
Energy: 1.3319415408646254
Energy: 1.3075716395087889
Energy: 1.1597877878001184
Energy: 1.2555762439562945
Energy: 1.2820303649754874
Energy: 1.1613984425373962
Energy: 1.1611491391365316
Energy: 1.2877357024712772
Energy: 1.1615230061833481
Energy: 1.1614830458761454
Energy: 1.3025722181719814
Energy: 1.4009248510801924
Energy: 1.328329989566313
Energy: 1.3037781992720965
Energy: 1.2945876200362934
Energy: 1.3379801716195354
Energy: 1.2267341883419303
Energy: 1.4428856788601907
Energy: 1.2882348899857594
Energy: 1.22644012841353
Energy: 1.4063426115946174
Energy: 1.2965782854814698
Energy: 1.2776552063881765
Energy: 1.2692904576514406
Energy: 1.2690931928033375
Energy: 1.2912003556686378
Energy: 1.2695736980950374
Energy: 1.2701334921311909
Energy: 1.2783605025249896
Energy: 1.338435730892219
Energy: 1.3369821170402196
Energy: 1.3577599465416679
Energy: 1.2709876594169573
Energy: 1.3382189399594804
Energy: 1.27780522566052
Energy: 1.2684462476798524
Energy: 1.2798773797098948
Energy: 1.275723620990166
Energy: 1.3396938105336202
Energy: 1.268315419418927
Energy: 1.2778536258461057
Energy: 1.2349101813514043
Energy: 1.3127985104260615
Energy: 1.276054901869691
Energy: 1.297395626782427
Energy: 1.2327483185107748
Energy: 1.5273176046183468
Energy: 1.206716074701603
Energy: 1.2073214511996753
Energy: 1.4471179816426338
Energy: 1.2682923166186113
Energy: 1.447741313773729
Energy: 1.2704329409083324
Energy: 1.2371083627223836
Energy: 1.1885744063115065
Energy: 1.2634726497444035
Energy: 1.2555851144434407
Energy: 1.2309693951268748
Energy: 2.1234472118691974
Energy: 1.2985959001318053
Energy: 1.2115163514146794
Energy: 1.1624189418554178
Energy: 1.3292874250206634
Energy: 1.2764152384563552

minimum gb energy = 1.159637533061312 eV
minimum distance =  2.34486456487994 Angstroms
sigma value = 43


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

Energy: 2.1533563643969273
Energy: 1.569449561475341
Energy: 1.4200557383172963
Energy: 1.2891719142642086
Energy: 1.5748933937958014
Energy: 1.289064143189957
Energy: 1.2099908392026364
Energy: 1.210177339600914
Energy: 1.39260141859916
Energy: 1.3126063189676354
Energy: 1.3151215523441149
Energy: 1.3728390073561758
Energy: 1.2235745340051882
Energy: 1.207251268431177
Energy: 1.2094421819666619
Energy: 1.2236716582941516
Energy: 1.2153285958765656
Energy: 1.2264325099166393
Energy: 1.2269725180668503
Energy: 1.2160799392130313
Energy: 1.2322401587725687
Energy: 1.223324738984688
Energy: 1.3871698210122927
Energy: 1.2236462802718302
Energy: 1.239616885874919
Energy: 1.2501813123621053
Energy: 1.2984429689091055
Energy: 1.2398372799641666
Energy: 1.2866828862493844
Energy: 1.2985044423014493
Energy: 1.2495548541581192
Energy: 1.2866677525526757
Energy: 1.2990252783945282
Energy: 1.2559877663195325
Energy: 1.2239767387309286
Energy: 1.298066410874593
Energy: 1.2404251260620183
Energy: 1.2386619103429382
Energy: 1.2417668618780753
Energy: 1.240402920255672
Energy: 1.2424430460508358
Energy: 1.2319411830921634
Energy: 1.4043951410907851
Energy: 1.2241660923487634
Energy: 1.2234190648979257
Energy: 1.3253036533695375
Energy: 1.224753547541804
Energy: 1.3227227577302185
Energy: 1.3155129085131496
Energy: 1.2475879776579408
Energy: 1.2473178163189178
Energy: 1.3151635520430103
Energy: 1.2485868554181156
Energy: 1.2479466608928256
Energy: 1.405531927854492
Energy: 1.3184377044775433
Energy: 1.3175637096783044
Energy: 1.405678290354426
Energy: 1.3190702585810257
Energy: 1.3169733145993658
Energy: 1.200526493413297
Energy: 1.2680707407441234
Energy: 1.3245508833272794
Energy: 1.2006837676360542
Energy: 1.3898289899637957
Energy: 1.3013436997643897
Energy: 1.4180802194264
Energy: 1.2488191727070068
Energy: 1.2475581012849257
Energy: 1.1973157609847516
Energy: 1.4223627513606334
Energy: 1.247706107470905
Energy: 1.3387166363300016
Energy: 1.2315418808861067
Energy: 1.2468246248693449
Energy: 1.1998326676029027
Energy: 1.2979253491767144
Energy: 1.246701126426221
Energy: 1.2003146555320863
Energy: 1.2335961404481546
Energy: 1.3715072266035127
Energy: 1.2005903298504175
Energy: 1.335982357959976
Energy: 1.3018615565263736
Energy: 1.2023100126163655
Energy: 1.2295018324052196
Energy: 1.2268670024645179
Energy: 1.201397085603324
Energy: 1.3052409559386315
Energy: 1.2268602719434687
Energy: 1.2035600499036492
Energy: 1.2291640896477019
Energy: 1.2033901077280202
Energy: 1.2034303160711495
Energy: 1.3559548964546309
Energy: 1.202419107952689
Energy: 1.2009737922815604
Energy: 1.2061759550042335
Energy: 1.2078506252415198
Energy: 1.201136358673305
Energy: 1.3690268242012213
Energy: 1.203744259806947
Energy: 1.200700545419318
Energy: 1.3293250785667525
Energy: 1.2106814303239315
Energy: 1.2007549881802535
Energy: 1.408624271933943
Energy: 1.2106521339855727
Energy: 1.314762149284284
Energy: 1.2031176607275051
Energy: 1.2027831848994108
Energy: 1.4114606351778038
Energy: 1.305624705549544
Energy: 1.2419104220465822
Energy: 1.3137454715289725
Energy: 1.2059039718590836
Energy: 1.20286211846565
Energy: 1.2497966901136597
Energy: 1.200160604380196
Energy: 1.225089812496147
Energy: 1.200697603847737
Energy: 1.3122371201013536
Energy: 1.3281228879914526
Energy: 1.2005940303899436
Energy: 1.4193173264515704
Energy: 1.328318061727373
Energy: 1.4732639910192507
Energy: 1.245501458912469
Energy: 1.3374913517287714
Energy: 1.47347780624633
Energy: 1.2149952329558256
Energy: 1.417633056653044
Energy: 1.4066829040315842
Energy: 1.2117949653444526
Energy: 1.3287310416381195
Energy: 1.4083152936001606
Energy: 1.3207359682188773
Energy: 1.3210239054406867
Energy: 1.393074479916522
Energy: 1.4678120151187277
Energy: 1.2030340260722758
Energy: 1.4348775868054489
Energy: 1.2036234854046024
Energy: 1.2037189406578175
Energy: 1.4082416466538923
Energy: 1.1997023945369956
Energy: 1.2073245648976418
Energy: 1.4086274003766581
Energy: 1.199752560073349
Energy: 1.2030879488207478
Energy: 1.3372701451877609
Energy: 1.2003517519307474
Energy: 1.226677258206869
Energy: 1.3729882906432034
Energy: 1.200760498640063
Energy: 1.233265309645708
Energy: 1.3369883216524718
Energy: 1.203160313167745
Energy: 1.2033427119025386
Energy: 1.336929104599707
Energy: 1.2010711038022153
Energy: 1.203167570716331
Energy: 1.2967144285728536
Energy: 1.3475980799240665
Energy: 1.2326000099328644
Energy: 1.296690567885604
Energy: 1.3140642806775176
Energy: 1.232822728126868
Energy: 1.307134564697484
Energy: 1.2230322026507068
Energy: 1.2237811639803404
Energy: 1.305949331048731
Energy: 1.3187847640870678
Energy: 1.2246727809777445
Energy: 1.2241897877226766
Energy: 1.2102710052312882
Energy: 1.3701586550732714
Energy: 1.3121072641569869
Energy: 1.3148385552405992
Energy: 1.247193553142207
Energy: 2.1572834191841364
Energy: 1.4378813135188429
Energy: 1.4421966263423227
Energy: 1.2463430925040853
Energy: 1.435205577365676
Energy: 1.388385430003176

minimum gb energy = 1.1973157609847516 eV
minimum distance =  2.26558705416093 Angstroms
sigma value = 57


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

Energy: 1.763408683700353
Energy: 1.4275106219426932
Energy: 1.3857142739756687
Energy: 1.6806255460789787
Energy: 1.2712929097599361
Energy: 1.4941100085495742
Energy: 1.2591238227950965
Energy: 1.2966455982708123
Energy: 1.2946221225700174
Energy: 1.2187941934409388
Energy: 1.4001867661461365
Energy: 1.294507093333903
Energy: 1.7261286311470228
Energy: 1.218612492705006
Energy: 1.218206626442772
Energy: 1.5673895672795737
Energy: 1.2178306854849625
Energy: 1.2178006935171837
Energy: 1.3755324342071111
Energy: 1.217808341498256
Energy: 1.2177754751580168
Energy: 1.3781492111853688
Energy: 1.2180144825988757
Energy: 1.209339401421572
Energy: 1.3749945126082783
Energy: 1.4413349791003411
Energy: 1.3379563996019734
Energy: 1.376333445240516
Energy: 1.3357824379280152
Energy: 1.370128946239459
Energy: 1.217581395834284
Energy: 1.3266135718363936
Energy: 1.363737160767074
Energy: 1.3767883090825785
Energy: 1.375588373512253
Energy: 1.3711382535856254
Energy: 1.3954528663612848
Energy: 1.3736842340012316
Energy: 1.3731630006667257
Energy: 1.434431503086697
Energy: 1.3759475656421756
Energy: 1.3744527391528114
Energy: 1.3072184057748493
Energy: 1.474871726823098
Energy: 1.44484558317249
Energy: 1.307054607777436
Energy: 1.4269678885036277
Energy: 1.3854627891638716
Energy: 1.4076984416256573
Energy: 1.3873589637077701
Energy: 1.3854781107934493
Energy: 1.4084191929259422
Energy: 1.386014517616278
Energy: 1.4274719352167855
Energy: 1.6609988101733477
Energy: 1.3089257033297816
Energy: 1.3081139906917703
Energy: 1.662060355851275
Energy: 1.3087660493341462
Energy: 1.3081471963378506
Energy: 1.508554303500647
Energy: 1.3074084633207088
Energy: 1.3495201009477789
Energy: 1.3564751327141784
Energy: 1.3565369484374066
Energy: 1.3458727321353585
Energy: 1.1487057838940198
Energy: 1.3799694999350784
Energy: 1.3800298843135466
Energy: 1.1511456220464842
Energy: 1.5675761535894508
Energy: 1.330584610170123
Energy: 1.1580922256175046
Energy: 1.3810462021354293
Energy: 1.3313161442591062
Energy: 1.3318844513094248
Energy: 1.381514694433094
Energy: 1.3311370850037574
Energy: 1.5049714628883115
Energy: 1.4556711557234263
Energy: 1.448955969682067
Energy: 1.357843014397477
Energy: 1.4311193913804259
Energy: 1.3499973717130913
Energy: 1.3739021553348911
Energy: 1.2187493225715438
Energy: 1.2766165367345215
Energy: 1.3736228600816813
Energy: 1.218269827896983
Energy: 1.2768643683848813
Energy: 1.3732914053156569
Energy: 1.390605412364501
Energy: 1.3954397956276587
Energy: 1.374407979278863
Energy: 1.5647164092016874
Energy: 1.4005374590161126
Energy: 1.3946816071825496
Energy: 1.3673535510523247
Energy: 1.3680697335833079
Energy: 1.3929531083998243
Energy: 1.4043977659031417
Energy: 1.366976917115537
Energy: 1.3946090567743086
Energy: 1.3751025962050174
Energy: 1.3808247423345172
Energy: 1.43622650077608
Energy: 1.3746067040983085
Energy: 1.3816942840767168
Energy: 1.4331191724761216
Energy: 1.3749778637119021
Energy: 1.4061688081111368
Energy: 1.4198428184615204
Energy: 1.37477050603091
Energy: 1.4057520029985182
Energy: 1.386603060348843
Energy: 1.3928489748488644
Energy: 1.382243931935218
Energy: 1.3837951295049384
Energy: 1.562569477960611
Energy: 1.4080445972889946
Energy: 1.3823446890470934
Energy: 1.418506581887599
Energy: 1.4875571537627341
Energy: 1.3889747175704694
Energy: 1.4387191984922978
Energy: 1.208589354400932
Energy: 1.4830853418207361
Energy: 1.3083957350618378
Energy: 1.3635680492421502
Energy: 1.4084111464354598
Energy: 1.3094005381734688
Energy: 1.3636736488908865
Energy: 1.5689718204202325
Energy: 1.2963466151156533
Energy: 1.29648857413709
Energy: 1.2160215580619014
Energy: 1.398509748635839
Energy: 1.2121049839399813
Energy: 1.2701484605556361
Energy: 1.3026086758367184
Energy: 1.3312299480384384
Energy: 1.332713465072084
Energy: 1.3028482653304374
Energy: 1.4390336853620942

minimum gb energy = 1.1487057838940198 eV
minimum distance =  2.33395127618324 Angstroms
sigma value = 17


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

Energy: 1.8750450406921435
Energy: 1.4057295826246916
Energy: 1.401386726085109
Energy: 1.1776428293685486
Energy: 1.2916387424580824
Energy: 1.177371504412727
Energy: 1.1218390588921923
Energy: 1.2372966882806107
Energy: 1.2371854183772089
Energy: 1.2532918291124973
Energy: 1.238946397348559
Energy: 1.22057616112156
Energy: 1.5313439856552231
Energy: 1.1725272925471897
Energy: 1.1225415934384422
Energy: 1.5336891085052473
Energy: 1.17254199068875
Energy: 1.123122803341002
Energy: 1.2366093134138605
Energy: 1.1725787762244664
Energy: 1.1227150643636978
Energy: 1.2365356948508819
Energy: 1.065868695707593
Energy: 1.2366267801116577
Energy: 1.1123219501012116
Energy: 1.1956836681964784
Energy: 1.2162837535924587
Energy: 1.112824981122217
Energy: 1.194963483954154
Energy: 1.2160680996094817
Energy: 1.632253550733965
Energy: 1.095632562285019
Energy: 1.1846230558460853
Energy: 1.2277025193595332
Energy: 1.0953611697542127
Energy: 1.2300876743642928
Energy: 1.1118812252082901
Energy: 1.0947104127476583
Energy: 1.0947933435524244
Energy: 1.1126281859770577
Energy: 1.095746020182709
Energy: 1.1722866068994018
Energy: 1.3444502481349905
Energy: 1.2365873958634546
Energy: 1.2945091915669764
Energy: 1.2363020066905883
Energy: 1.2359814197240448
Energy: 1.2534815302245443
Energy: 1.0992900286853176
Energy: 1.2380933282597595
Energy: 1.2372192295616005
Energy: 1.096948081880133
Energy: 1.1874517517949246
Energy: 1.0954339757985714
Energy: 1.0948211787446607
Energy: 1.1847501007235612
Energy: 1.1849423032495043
Energy: 1.094914693035953
Energy: 1.209432827430978
Energy: 1.1848970349098613
Energy: 1.2992899480671734
Energy: 1.2164246271483337
Energy: 1.216119097004204
Energy: 1.3705352487738176
Energy: 1.2383935634908347
Energy: 1.1941079954838725
Energy: 1.2566472275095986
Energy: 1.2366779044754728
Energy: 1.2363358892490386
Energy: 1.2569728093444406
Energy: 1.2367661015111024
Energy: 1.2364040432912575
Energy: 1.2358160751856173
Energy: 1.3667465407432489
Energy: 1.2376353013963548
Energy: 1.2169845555967587
Energy: 1.371544855856418
Energy: 1.263192115976303
Energy: 1.2535498425525697
Energy: 1.2379079128453074
Energy: 1.2378781712042908
Energy: 1.2532245681600072
Energy: 1.2374563823343612
Energy: 1.237488084194323
Energy: 1.635333252647371
Energy: 1.2373810283122606
Energy: 1.2363818492444174
Energy: 1.6346708533058085
Energy: 1.236445131509508
Energy: 1.3657999545858481
Energy: 1.538644258224435
Energy: 1.281009065457277
Energy: 1.220469258790872
Energy: 1.533163449653952
Energy: 1.2549254614699583
Energy: 1.2370586905556273
Energy: 1.2332567240392989
Energy: 1.23710265901051
Energy: 1.3496774942948546
Energy: 1.232742370595387
Energy: 1.3691883203003163
Energy: 1.3499729907760378

minimum gb energy = 1.065868695707593 eV
minimum distance =  2.30961798261842 Angstroms
sigma value = 17


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

Energy: 1.948630440840896
Energy: 1.3455223322609142
Energy: 1.1374535157407262
Energy: 1.1372089550958304
Energy: 1.248117090102077
Energy: 1.137184601626594
Energy: 1.2639802627486074
Energy: 1.2019736303271122
Energy: 1.2160325458577737
Energy: 1.201099763631642
Energy: 1.2044074347199
Energy: 1.1336576332816288
Energy: 1.4384695446253384
Energy: 1.1356156140116573
Energy: 1.1241689935468584
Energy: 1.4399082692459981
Energy: 1.1364631731316992
Energy: 1.0971185128404457
Energy: 1.2014870369804453
Energy: 1.1251734117273762
Energy: 1.0975163967359107
Energy: 1.2020393153223015
Energy: 1.010989623320781
Energy: 1.0968001618869068
Energy: 1.068589868487019
Energy: 1.1412535142597369
Energy: 1.1346351323307473
Energy: 1.0693029925217283
Energy: 1.1398314109892382
Energy: 1.1353039497427415
Energy: 1.7256847649786589
Energy: 1.052144816170262
Energy: 1.0045548027738869
Energy: 1.1355374264306939
Energy: 1.0534424932659967
Energy: 1.0732941828755953
Energy: 1.4021132152578752
Energy: 1.0524480594386978
Energy: 1.0522878634544133
Energy: 1.4024621674655282
Energy: 1.0558827386570673
Energy: 1.1029877471868106
Energy: 1.1693706965080155
Energy: 1.1089528888282432
Energy: 1.1207063028856599
Energy: 1.086770399948119
Energy: 1.1094488283409845
Energy: 1.1704196120384387
Energy: 0.9922948382512137
Energy: 1.1203055932713128
Energy: 1.064382601494327
Energy: 0.9938524804743751
Energy: 0.991489128222322
Energy: 0.9921984745241357
Energy: 0.9921852455056296
Energy: 1.1143792595969808
Energy: 1.1142553246579265
Energy: 0.9918540941846834
Energy: 1.1146298767164262
Energy: 1.1149307964950372
Energy: 0.9902972930938477
Energy: 0.9912695119365398
Energy: 1.1142483678554942
Energy: 1.114430617025821
Energy: 0.9918285556100653
Energy: 1.1143713774339656
Energy: 0.9961397647687459
Energy: 0.9921656574697647
Energy: 0.99235252160075
Energy: 0.997738735837863
Energy: 0.9918799496143934
Energy: 1.064328070205822
Energy: 1.0520656111954572
Energy: 1.1097388120153702
Energy: 1.0688665185361474
Energy: 1.1241051472498715
Energy: 1.1194959137730314
Energy: 1.1244063438712082
Energy: 1.0531092353403788
Energy: 1.1410050358101813
Energy: 1.1408898899563518
Energy: 1.0533757506217882
Energy: 1.2208758865931217
Energy: 1.0523716581792308
Energy: 1.0533190564367587
Energy: 1.063928149339196
Energy: 1.0640101510054598
Energy: 1.0530799130443216
Energy: 1.1232328647945664
Energy: 1.120576911727001
Energy: 1.35882247170622
Energy: 1.2020965019969856
Energy: 1.1335434637651454
Energy: 1.281623327519606
Energy: 1.2014213143512407
Energy: 1.1213497828947563
Energy: 0.9927995348073866
Energy: 1.2017101986024936
Energy: 1.2017409552811265
Energy: 0.9933939968869429
Energy: 1.2014129948908052
Energy: 1.0511817056832815
Energy: 1.0720486595522318
Energy: 1.3005782152886856
Energy: 1.2020176450769284
Energy: 1.0716290939588826
Energy: 1.301961106786829
Energy: 1.1211144332551972
Energy: 1.3431007493683476
Energy: 1.2013483802408957
Energy: 1.1519021660208313
Energy: 1.3440811754484845
Energy: 1.0704160350031944
Energy: 1.1216077128267008
Energy: 1.615453759159456
Energy: 1.0515693016885521
Energy: 1.1499757051022916
Energy: 1.6155137157630974
Energy: 1.1276813760896114
Energy: 1.2236496981175686
Energy: 1.4471664589954896
Energy: 1.2015935726582658
Energy: 1.214767365308361
Energy: 1.3050296343752914
Energy: 1.2010245327135043
Energy: 1.2014473615127361
Energy: 1.0048261064319797
Energy: 1.3030748884695869
Energy: 1.3024131908322583
Energy: 1.1260681267707595
Energy: 1.3069795366249541
Energy: 1.09660398140602
Energy: 1.010185611374024
Energy: 1.2020371238359597
Energy: 1.2023751774503622
Energy: 1.0114801269876255
Energy: 1.2034216176628987
Energy: 1.301776810973373
Energy: 1.4395117464130989
Energy: 1.1607731434595503
Energy: 1.2151670573613889
Energy: 1.439468471477869
Energy: 1.0050665204564377
Energy: 1.200601790531736
Energy: 1.2018590785989396
Energy: 1.1348562035192402
Energy: 1.1109288343233592
Energy: 1.2020339477895872
Energy: 1.1359592280208801
Energy: 1.0966172597050299
Energy: 1.2060396652252274
Energy: 1.1362016658073375
Energy: 1.13827203531477
Energy: 1.2064723670035176
Energy: 1.1407008606017777
Energy: 1.1371786058131104
Energy: 1.096854944307276
Energy: 1.0519638396387345
Energy: 1.0521048929831296
Energy: 1.1329946627021812
Energy: 1.196693015924261
Energy: 1.0733950730929878
Energy: 0.9758825217435771
Energy: 1.0521627744821178
Energy: 1.0525895706739192
Energy: 0.9757680640619009
Energy: 1.0537310483394149
Energy: 1.0525881192486333
Energy: 1.4099204827279515
Energy: 1.131131124136332
Energy: 1.1309137863727388
Energy: 1.068012098977778
Energy: 1.05209027911657
Energy: 1.1320659766876497
Energy: 0.9922703351051351
Energy: 1.1088089012076574
Energy: 1.1204194506663696
Energy: 0.9924331989545351
Energy: 1.1092998451345
Energy: 1.1291651874945055
Energy: 0.9986985248665189
Energy: 1.1192858746881056
Energy: 1.118486190344826
Energy: 0.9925408271823554
Energy: 1.1157499772689958
Energy: 1.063187469533168
Energy: 1.496768094544751
Energy: 1.1149440548918375
Energy: 1.1206474720681423
Energy: 1.1618649565904153
Energy: 1.1241812067588668
Energy: 1.120515253059888
Energy: 1.0073012036078641
Energy: 0.9922096357108275
Energy: 0.9919189726704614
Energy: 1.0077353318219713
Energy: 0.9930763227190799
Energy: 0.9921239402755555
Energy: 1.6413068019748551
Energy: 1.064948641838909
Energy: 1.1222392477250531
Energy: 1.1231917295609821
Energy: 0.9913409044548005
Energy: 1.1422449464088302
Energy: 1.0524349510503492
Energy: 1.1497810235773926
Energy: 1.1486809267519738
Energy: 1.0522787384065513
Energy: 1.1529302990962647
Energy: 1.143079728280893
Energy: 1.052751352097408
Energy: 1.1246086086309033
Energy: 1.1201094161017346
Energy: 1.0527041208695362
Energy: 1.1237764440951887
Energy: 1.0523504504774508
Energy: 1.3773221697271172
Energy: 1.132597157775193
Energy: 1.1332235076530015
Energy: 1.1974357876870607
Energy: 1.0717660040401427
Energy: 1.1199566658297735
Energy: 0.9949329575954986
Energy: 1.2015762061018493
Energy: 1.2014223361816134
Energy: 1.0513426676467295
Energy: 1.202598708557448
Energy: 1.20139829785654
Energy: 1.2051632790620521
Energy: 1.299746278054832
Energy: 1.0501573387590444
Energy: 1.1370260774091994
Energy: 1.436851946367159
Energy: 1.050619716907034
Energy: 1.3401917784945665
Energy: 1.2020148229886678
Energy: 1.2017806910842461
Energy: 1.2028382741170112
Energy: 1.2026543678320536
Energy: 1.160822402329976
Energy: 1.3452450268765568
Energy: 1.1211926298645218
Energy: 1.2162474434557946
Energy: 1.3419451596584844
Energy: 1.1207340556034997
Energy: 1.1999744891642552
Energy: 1.4390127121729357
Energy: 1.148660373075912
Energy: 1.2142417064629236
Energy: 1.4406744185043616
Energy: 1.0839542460355176
Energy: 1.2012073432820625
Energy: 1.230327046281478
Energy: 1.2020350810180513
Energy: 1.2158320777819622
Energy: 1.231229709480376
Energy: 1.3028905509236912
Energy: 1.301372905038366

minimum gb energy = 0.9757680640619009 eV
minimum distance =  2.29275816798104 Angstroms
sigma value = 57


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

Energy: 1.7654289045478855
Energy: 1.2745224280148337
Energy: 1.1005884703152038
Energy: 1.1035279201798527
Energy: 1.672528586737167
Energy: 1.0979671158029383
Energy: 1.2931778113508021
Energy: 1.1636761429464921
Energy: 1.1703791890967714
Energy: 1.1517106760970521
Energy: 1.1583174614386114
Energy: 1.0714918694852429
Energy: 1.3490973706478206
Energy: 1.0673724274597207
Energy: 1.0717698209298483
Energy: 1.3511712378280527
Energy: 1.0643258566639664
Energy: 1.074751054707189
Energy: 1.1584832189331389
Energy: 1.065176806178542
Energy: 1.0692432095402427
Energy: 1.1581769632689032
Energy: 1.2782654564565228
Energy: 1.059790908732872
Energy: 1.185532328570185
Energy: 1.0667889776936488
Energy: 1.0721700178476568
Energy: 1.1716514902375383
Energy: 1.089381733913995
Energy: 1.0623774366494958
Energy: 1.6056389834404576
Energy: 1.0153169449468764
Energy: 0.9659182499865689
Energy: 1.029028141326833
Energy: 1.0153140980307498
Energy: 1.0657521163488575
Energy: 1.3119228846582929
Energy: 1.0204858250763622
Energy: 1.0147929401471392
Energy: 1.313593127287425
Energy: 1.0213283553735513
Energy: 1.0616231251176145
Energy: 1.245457778725126
Energy: 1.0248427809079463
Energy: 1.041918113936465
Energy: 1.2459557162114945
Energy: 1.024790629494425
Energy: 1.060261204127703
Energy: 0.9448282390369473
Energy: 1.045403991286389
Energy: 0.9420795746848437
Energy: 0.9467530500212813
Energy: 1.083688589226415
Energy: 0.9423062038633642
Energy: 0.9426453917658918
Energy: 1.0731669625126532
Energy: 1.0448686146970767
Energy: 0.9425179387173325
Energy: 1.104643850041931
Energy: 1.0413614540041707
Energy: 0.9153870996467811
Energy: 0.9095747045736386
Energy: 1.0353555241957992
Energy: 1.0124091313488135
Energy: 0.9089453420731568
Energy: 1.0378487169577337
Energy: 0.9481525503943097
Energy: 0.9087788155854082
Energy: 0.908814713146368
Energy: 0.9492199408629642
Energy: 0.914725864023611
Energy: 1.019796814032775
Energy: 0.9154543167000817
Energy: 1.090884584078391
Energy: 1.0520435867654665
Energy: 0.9157850080081918
Energy: 1.054481839886871
Energy: 1.0516808017981454
Energy: 0.9097271342843788
Energy: 1.020848687365656
Energy: 0.9085983602925235
Energy: 0.9123955331093018
Energy: 1.2491705937721012
Energy: 0.908558067038885
Energy: 0.9101155266751757
Energy: 1.0499490083099943
Energy: 1.019838456822057
Energy: 0.9101479286608789
Energy: 1.020176372460734
Energy: 1.0197736557255976
Energy: 1.098343337680053
Energy: 0.9424060924004807
Energy: 1.0415090071336848
Energy: 1.043814712799693
Energy: 0.9427090708306802
Energy: 1.0398447215250648
Energy: 0.9632178376057737
Energy: 0.9424620903831364
Energy: 0.9423764325246673
Energy: 0.9640517169780962
Energy: 0.9507880310075827
Energy: 1.0019215029536097
Energy: 0.9116445879009676
Energy: 1.0079231305691856
Energy: 1.0504427300562325
Energy: 0.9131471419152614
Energy: 1.041408131199465
Energy: 1.0552048982689597
Energy: 1.0148833047653425
Energy: 1.0756625346879403
Energy: 1.0145976768912586
Energy: 1.0161786858584465
Energy: 1.3191156878035502
Energy: 1.0147052151127276
Energy: 1.2811917457283022
Energy: 1.0487904197721496
Energy: 1.1058590786359088
Energy: 1.281778526562761
Energy: 1.0483389583285838
Energy: 1.0755796424674688
Energy: 1.324106254031165
Energy: 1.2013726788346022
Energy: 1.0689899098175737
Energy: 1.0888754574043715
Energy: 1.2070699940979759
Energy: 1.0702547050082662
Energy: 1.0040153875967661
Energy: 1.1518369335140781
Energy: 1.0147262484794324
Energy: 1.0494310624225234
Energy: 1.1514007788157088
Energy: 1.0667872907138083
Energy: 1.1334041287260974
Energy: 1.1521306594066127
Energy: 1.164312628400826
Energy: 1.1332413081462727
Energy: 1.23711063176668
Energy: 1.1622839780655494
Energy: 1.2718943165697907
Energy: 1.0659383096728778
Energy: 1.0717642618750363
Energy: 1.2735942985674278
Energy: 1.157376069001806
Energy: 1.0711631516330853
Energy: 1.3543197759254175
Energy: 1.0728243963167365
Energy: 1.0144987433560786
Energy: 1.3549442843159014
Energy: 1.0787900980615934
Energy: 1.1516470466055149
Energy: 1.348871394312423
Energy: 1.1521434243807642
Energy: 1.1602905285833784
Energy: 1.1598394169040953
Energy: 1.1592283403755852
Energy: 1.1518329173799267
Energy: 1.0618910031010902
Energy: 1.2333962104298382
Energy: 1.0609519036043806
Energy: 1.0685359632572649
Energy: 1.3541046606271725
Energy: 1.0605612843083045

minimum gb energy = 0.908558067038885 eV
minimum distance =  2.29172058724925 Angstroms
sigma value = 43


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

Energy: 1.647241323527002
Energy: 1.1326808232479584
Energy: 0.9939377668041465
Energy: 0.8738569683182121
Energy: 1.0643257274696691
Energy: 1.006362946340649
Energy: 1.1213928355533707
Energy: 0.9385944491446686
Energy: 0.9350062441202078
Energy: 1.016420210039646
Energy: 1.0201224619700349
Energy: 0.9138249414971998
Energy: 1.1703401890576997
Energy: 0.8969023808450105
Energy: 0.9321456760623518
Energy: 1.1725984832123444
Energy: 0.8957859332263354
Energy: 0.9260530927726869
Energy: 1.019774373047264
Energy: 0.9222893875315796
Energy: 0.8989439184962887
Energy: 1.019806603551446
Energy: 0.9782429419033706
Energy: 0.94710273120955
Energy: 1.0279368645898086
Energy: 0.9089227970208651
Energy: 0.9354804977763851
Energy: 1.0276804758117848
Energy: 0.9127901801228053
Energy: 0.9154578351027456
Energy: 0.8206270812899286
Energy: 0.9082696248751528
Energy: 0.8962084634989531
Energy: 0.8737524821885767
Energy: 0.908320227447115
Energy: 0.8553406825701272
Energy: 1.136132009314063
Energy: 0.908592246659779
Energy: 0.9086648409995706
Energy: 1.0133085742936463
Energy: 0.9089061745151628
Energy: 1.0822470062863105
Energy: 1.0799768697324228
Energy: 0.8614195406165446
Energy: 0.8822842354799102
Energy: 1.082750679550223
Energy: 0.8615680459999179
Energy: 0.8817102000561775
Energy: 0.8463276826347307
Energy: 0.8812302868712373
Energy: 0.843748662145554
Energy: 0.8485076784238063
Energy: 1.0768826428605363
Energy: 0.8440682065507604
Energy: 0.844055588223176
Energy: 0.9036878592074389
Energy: 0.8992866615468236
Energy: 0.8440972662453539
Energy: 0.9002670254779298
Energy: 0.8993292530587295
Energy: 0.785809050923557
Energy: 0.8023179031639893
Energy: 0.8705396581844345
Energy: 0.8580679801813481
Energy: 0.8025473195332213
Energy: 0.8599015706620925
Energy: 1.069245519308704
Energy: 0.8024484748071324
Energy: 0.802366822188864
Energy: 1.0715381738957888
Energy: 0.8023367170360507
Energy: 0.8821517363770169
Energy: 1.0475222302630398
Energy: 0.8496508627157173
Energy: 0.8778489113992328
Energy: 1.050015049693626
Energy: 0.849738974299712
Energy: 0.8557183565307044
Energy: 0.7776690777983327
Energy: 1.0571280120759727
Energy: 0.7776406282925779
Energy: 0.7798422098039508
Energy: 1.0579913700472623
Energy: 0.7775685589141376
Energy: 0.7775554946313294
Energy: 0.8518035535491499
Energy: 0.8623494944271658
Energy: 0.7774695804151782
Energy: 0.8502724483832949
Energy: 0.8580430990895072
Energy: 0.9085554223992802
Energy: 0.7661750653097534
Energy: 0.7655898955709598
Energy: 0.8493818752217318
Energy: 0.7662465192282175
Energy: 0.8515845160200456
Energy: 0.9171410956189744
Energy: 0.7660162313913748
Energy: 0.7664311639496136
Energy: 1.0520461383259638
Energy: 0.7661068910165726
Energy: 0.8574723250612357
Energy: 1.0397810914858001
Energy: 0.8770319956534264
Energy: 0.8765749559985363
Energy: 1.0346951433126625
Energy: 0.8958263110930916
Energy: 0.8761220977241732
Energy: 0.7660083031112822
Energy: 1.0510484316294
Energy: 0.7659796901266797
Energy: 0.7680779031339271
Energy: 1.0558701214660982
Energy: 0.7660372168315808
Energy: 1.0395856871048206
Energy: 0.9087405267307243
Energy: 0.9079756370667068
Energy: 1.0421172432767343
Energy: 0.9090432577411425
Energy: 0.9074352514244229
Energy: 1.0620504858260238
Energy: 0.7776417660897619
Energy: 0.7775418058005473
Energy: 1.0577051601256944
Energy: 0.7775174469510029
Energy: 0.8664563361522022
Energy: 0.7683646448609931
Energy: 0.7777748509858468
Energy: 0.7774373079999943
Energy: 0.8567369467140677
Energy: 0.7780676040544795
Energy: 0.8551464025044344
Energy: 0.8021123356572095
Energy: 0.8556911756515965
Energy: 0.8559152295976775
Energy: 0.8021902868202407
Energy: 0.8562796088861819
Energy: 0.8561210443412812
Energy: 0.8023881221172717
Energy: 1.0692771133365884
Energy: 0.8023712119783097
Energy: 0.8047956523893219
Energy: 1.0696903615427007
Energy: 0.802568889514813
Energy: 1.0596819882593451
Energy: 0.8557038194907759
Energy: 0.8712307167993896
Energy: 1.0622144585229998
Energy: 0.8557542167815101
Energy: 0.8711857812991539
Energy: 1.0923318547158136
Energy: 0.84395599665189
Energy: 0.8439047706039541
Energy: 1.0948584139142477
Energy: 0.844066340409225
Energy: 0.9010717457407253
Energy: 0.8030980118715625
Energy: 0.8436403618839481
Energy: 0.8800034276237862
Energy: 0.864965396428684
Energy: 0.8434639626839234
Energy: 0.8717319108075241
Energy: 0.9621559838931923
Energy: 0.8791962032047256
Energy: 0.9163279497980281
Energy: 0.9884350915742037
Energy: 0.9136099835917786
Energy: 0.9160319632212682
Energy: 0.9112792205480149
Energy: 0.9019077480197636
Energy: 0.9084177889280308
Energy: 0.9132293506408796
Energy: 1.0923998405599074
Energy: 0.9087371998664284
Energy: 1.1153087924159297
Energy: 0.8840633918719619
Energy: 0.9017687027288092
Energy: 1.118047895721439
Energy: 0.8832690800648837
Energy: 0.9011692271730577
Energy: 1.1380981910050185
Energy: 0.9386171509214521
Energy: 0.9356824892375154
Energy: 0.9352307079297426
Energy: 1.0551057863476307
Energy: 1.1414215971122532
Energy: 0.8477615634585987
Energy: 1.0163133852198234
Energy: 0.9086076730218341
Energy: 0.8895267071695687
Energy: 1.0159776628063992
Energy: 0.8820044043016346
Energy: 1.0503330763051424
Energy: 1.0167509016252094
Energy: 1.0160090230967145
Energy: 1.050420678765942
Energy: 1.0764512471115282
Energy: 1.0008709838803165
Energy: 1.141755638660068
Energy: 0.9334839821329333
Energy: 0.9014784288787006
Energy: 1.108558475284071
Energy: 1.027126512562883
Energy: 1.0163380943307214
Energy: 1.1657843096964569
Energy: 0.9195731401342204
Energy: 0.9439775980055055
Energy: 1.1679640434052754
Energy: 0.9149007884590906
Energy: 0.943948108802967
Energy: 1.1630641549240577
Energy: 1.0167106330273317
Energy: 1.016326585702206
Energy: 1.0162362969388912
Energy: 1.075293670622848
Energy: 1.000726222551475

minimum gb energy = 0.7655898955709598 eV
minimum distance =  2.28153036198891 Angstroms
sigma value = 81


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

Energy: 0.3452225756620779
Energy: 0.1384555885408113
Energy: 0.0821926163228229
Energy: 0.08436970005867403
Energy: 0.6618132095357543
Energy: 0.34588170056801515
Energy: 0.40327460894657474
Energy: 0.6058187340713491
Energy: 0.6057718638222522
Energy: 0.8518034368805548
Energy: 0.606093250600872
Energy: 0.7374616850398201
Energy: 0.659141071999329
Energy: 0.08217184865192803
Energy: 0.08225195395315553
Energy: 0.6863184338994841
Energy: 0.08200636769851297
Energy: 0.08180953226928091
Energy: 0.6233215286343574
Energy: 0.08219775343590226
Energy: 0.08236495954259616
Energy: 0.6156266875658346
Energy: 0.08222767787393906
Energy: 0.13967023499400377
Energy: 0.13871650420472126
Energy: 0.6684023123395172
Energy: 0.6677667111468765
Energy: 0.14047045006062991
Energy: 0.6677137580499561
Energy: 0.6594209047346683
Energy: 0.08306432677069989
Energy: 0.6054174083840798
Energy: 0.08229784225814443
Energy: 0.08176524058669582
Energy: 0.6052028283504364
Energy: 0.08212677281946278
Energy: 0.6150446537660995
Energy: 0.6132731463148657
Energy: 0.6132595033447782
Energy: 0.6689857021170327
Energy: 0.6131269489470894
Energy: 0.7184908790156364
Energy: 0.6778831514277959
Energy: 0.08207504837794918
Energy: 0.08219723847344798
Energy: 0.6709438095132557
Energy: 0.08203695639765218
Energy: 0.08218019253434147
Energy: 0.6066715179795936
Energy: 0.08223093397428745
Energy: 0.1384959945775174
Energy: 0.6357166447132838
Energy: 0.08226966116204866
Energy: 0.13800352992504797
Energy: 0.34588446355539687
Energy: 0.6602249761510294
Energy: 0.6614447137076719
Energy: 0.08205997575616568
Energy: 0.6612203202957654
Energy: 0.6602870092415617

minimum gb energy = 0.08176524058669582 eV
minimum distance =  2.44226372359985 Angstroms
sigma value = 3


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

Energy: 1.0342800887799433
Energy: 1.043881082245439
Energy: 1.0605664634507543
Energy: 1.0348419919531917
Energy: 1.0109377024364314
Energy: 1.0359548951730644
Energy: 1.0242977278002168
Energy: 1.0217477844758416
Energy: 1.020441819924613
Energy: 1.0562006629227145
Energy: 1.0259763481989155
Energy: 1.0199317139410078
Energy: 1.0165951558128998
Energy: 0.9885679095501216
Energy: 0.9885207276707717
Energy: 1.0166129636667705
Energy: 0.9887969414005814
Energy: 1.0136010401972726
Energy: 0.9530098563061554
Energy: 0.9885305136745143
Energy: 0.9882388027473232
Energy: 0.9532278380449417
Energy: 0.8611427563345443
Energy: 1.013685752849173
Energy: 0.8788073295220028
Energy: 1.0142644841861486
Energy: 1.0205456837868947
Energy: 0.8787744278104145
Energy: 1.0258553437507736
Energy: 1.0199992494290469
Energy: 1.0003145670576232
Energy: 1.0197505080935447
Energy: 1.01815555574951
Energy: 0.9722861672119741
Energy: 1.020021623367856
Energy: 0.971766426758057
Energy: 0.9893583581350699
Energy: 0.8856987451263537
Energy: 0.9649712505146131
Energy: 0.9895268967569604
Energy: 0.8897076607540796
Energy: 0.9619959630975915
Energy: 0.9613739290657943
Energy: 0.9781178362193904
Energy: 0.9778143078635544
Energy: 0.9621506786974013
Energy: 0.9452466572180694
Energy: 0.9200176459262748
Energy: 0.9827281488930171
Energy: 0.9782629644914081
Energy: 0.9994526341794177
Energy: 1.0038533413768453
Energy: 0.8269386713631764
Energy: 0.9994528155229435
Energy: 0.8309935741935847
Energy: 0.8873248783643214
Energy: 0.8870229248000024
Energy: 0.8310825757185293
Energy: 0.8907494816039696
Energy: 0.8862244546972355
Energy: 0.9777259995502612
Energy: 0.9853134414191679
Energy: 0.985383414528
Energy: 0.950822184564986
Energy: 0.9561807902781961
Energy: 0.9499224319655724
Energy: 0.8330550375799282
Energy: 0.9883541270110168
Energy: 0.9858662574844566
Energy: 0.8307980198988866
Energy: 0.9707103150890918
Energy: 0.830168711266947
Energy: 0.8257071383399318
Energy: 0.9321696917360961
Energy: 0.9529760674389369
Energy: 0.8261246031785476
Energy: 0.9319985260743651
Energy: 0.8263033683847896
Energy: 0.9440630755267692
Energy: 0.7981197879927259
Energy: 0.9555587752124032
Energy: 0.9598932001035573
Energy: 0.7966796586819707
Energy: 0.9588722237599102
Energy: 0.967703365737592
Energy: 0.7888356952982022
Energy: 0.7892405205263823
Energy: 0.968350976848995
Energy: 0.7887367925433956
Energy: 0.789097565950161
Energy: 0.9660739093449545
Energy: 0.9354317613014155
Energy: 0.939502615776058
Energy: 0.9339059272704308
Energy: 0.9439084840321428
Energy: 0.934784265733671
Energy: 0.7832983426631318
Energy: 0.935235832435249
Energy: 0.9352705553835777
Energy: 0.7797227725833518
Energy: 0.9351383062190223
Energy: 0.7778291708781293
Energy: 0.782813121111143
Energy: 0.9304978202742309
Energy: 0.9292308728411763
Energy: 0.782791568944968
Energy: 0.9311468349511215
Energy: 0.7705318443343641
Energy: 0.965266443542381
Energy: 0.9357863259010065
Energy: 0.94565487415692
Energy: 0.9314211156938449
Energy: 0.955929562695435
Energy: 0.9454426285742701
Energy: 0.9570518362725149
Energy: 0.7740964698195902
Energy: 0.7736935589892654
Energy: 0.9494844388225557
Energy: 0.7815367446371168
Energy: 0.7743394105339093
Energy: 0.9400940523041148
Energy: 0.9347215666641615
Energy: 0.9367226225683408
Energy: 0.9419163848617289
Energy: 0.9664330487786089
Energy: 0.9359042537200511
Energy: 0.8056353537700578
Energy: 0.9341105504180954
Energy: 0.8620878304428237
Energy: 0.8062632870839835
Energy: 0.96245597724923
Energy: 0.7888825974347353
Energy: 0.7969287123267205
Energy: 0.9595693553845457
Energy: 0.9605118958632172
Energy: 0.7969086005345751
Energy: 0.9565085942614703
Energy: 0.9574733524119245
Energy: 0.9772659444493837
Energy: 0.8269254238749377
Energy: 0.8263239135856584
Energy: 0.9399718653856262
Energy: 0.8266713496459129
Energy: 0.9379848354253443
Energy: 0.8778611549130165
Energy: 0.8305784251073612
Energy: 0.8304294589416522
Energy: 0.8782719858640794
Energy: 0.8335461456942107
Energy: 0.8305029992875135
Energy: 0.9554022896542981
Energy: 0.9635959739554736
Energy: 0.9632403192989922
Energy: 0.9554143369804532
Energy: 0.935328495483327
Energy: 0.9848101631069035
Energy: 0.8897447329678596
Energy: 0.9631700022676055
Energy: 0.9632814484390726
Energy: 0.8893801098689693
Energy: 0.8877587770327554
Energy: 0.8889063731795583
Energy: 0.8502451139088812
Energy: 1.0019508101121646
Energy: 0.999424788421315
Energy: 0.8502473407075511
Energy: 1.00769695180181
Energy: 0.9987797629554718
Energy: 0.9606944132010609
Energy: 0.9539019014592487
Energy: 0.9599943456855989
Energy: 0.9596123506609109
Energy: 0.950975293617039
Energy: 0.9593090206344527
Energy: 0.8875225457819582
Energy: 0.9585674726541328
Energy: 0.9579993521350262
Energy: 0.8849332611990903
Energy: 0.9640415873435929
Energy: 1.0355754434707927
Energy: 0.9608422947334221
Energy: 0.990464226813763
Energy: 0.990170722700823
Energy: 0.9610981435450059
Energy: 0.9513187536705615
Energy: 0.9900558425339655
Energy: 1.0538361747019418
Energy: 0.9904539529333507
Energy: 0.9960638359748393
Energy: 1.0227210455902123
Energy: 0.8450475376877776
Energy: 1.0192467353756203
Energy: 0.9047158572305698
Energy: 0.9504769211060432
Energy: 0.9501866187822269
Energy: 0.9050066588533761
Energy: 0.9518914412288987
Energy: 0.9759865230817909

minimum gb energy = 0.7705318443343641 eV
minimum distance =  2.29530602428494 Angstroms
sigma value = 67


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

Energy: 1.2790110731663273
Energy: 1.2630757364585397
Energy: 1.2775466225051944
Energy: 1.2027284597661716
Energy: 1.254387816713514
Energy: 1.2877094316987785
Energy: 1.1655039421797477
Energy: 1.1997526791730104
Energy: 1.1985135956775126
Energy: 1.2451522039222165
Energy: 1.2032930996097178
Energy: 1.2261888008985222
Energy: 1.280855419272849
Energy: 1.1700939905964847
Energy: 1.1936996510398754
Energy: 1.1985696710162306
Energy: 1.1711507233061909
Energy: 1.1941880361635657
Energy: 1.1560013860366676
Energy: 1.1928459828935423
Energy: 1.1926579964530954
Energy: 1.1569500018156944
Energy: 1.1002756309999275
Energy: 1.1932076622966745
Energy: 1.1097258852317513
Energy: 1.1991704890746822
Energy: 1.226591241847309
Energy: 1.1096647941338407
Energy: 1.2029743932005794
Energy: 1.2248762512011222
Energy: 1.2370586178978582
Energy: 1.1985758013578394
Energy: 1.1740935212078947
Energy: 1.1723721680591817
Energy: 1.198642342306108
Energy: 1.1726205877252465
Energy: 1.111131963326554
Energy: 1.1444109150052992
Energy: 1.1116695479327272
Energy: 1.111194051937106
Energy: 1.1165055293259178
Energy: 1.1369986247276715
Energy: 1.1596733729384152
Energy: 1.1643400327029718
Energy: 1.1694323219298408
Energy: 1.1604793231937045
Energy: 1.16402177263917
Energy: 1.1093641602981537
Energy: 1.1538319724052162
Energy: 1.1973102934196178
Energy: 1.1960377669205284
Energy: 1.1992180000645956
Energy: 1.014848655731828
Energy: 1.2040048054227297
Energy: 0.9705052729029732
Energy: 1.0235291547987813
Energy: 1.0224565254627005
Energy: 0.9708147637079848
Energy: 1.0234503460843425
Energy: 1.0156873834487006
Energy: 1.082849469049566
Energy: 1.1583441446080633
Energy: 1.1800972479859406
Energy: 1.1666664512630116
Energy: 1.1463397995215119
Energy: 1.1706289076982919
Energy: 0.9716161885300586
Energy: 1.1578996688022372
Energy: 1.1551564781536436
Energy: 0.9711287550546976
Energy: 1.157547323245013
Energy: 0.9709815096068748
Energy: 0.9780284811188205
Energy: 1.1525584633997918
Energy: 1.1504229681177833
Energy: 0.9769075264435091
Energy: 1.1501364502560107
Energy: 0.9755980337835675
Energy: 1.152851567840155
Energy: 1.0886364582347825
Energy: 1.1503825584970246
Energy: 1.1489419638098846
Energy: 1.1708408339449783
Energy: 1.1497275648713106
Energy: 1.1556168882977522
Energy: 0.9830188452707016
Energy: 0.9773772167348178
Energy: 1.1569283210207733
Energy: 0.9795232340193604
Energy: 0.9731601207968141
Energy: 1.1371834311072677
Energy: 1.155385043966316
Energy: 1.1618408141252106
Energy: 1.1623891507335853
Energy: 1.0807641768208072
Energy: 1.1581744484658065
Energy: 1.0374489217751344
Energy: 1.1581423859362523
Energy: 1.1538413665490834
Energy: 1.0387248315981765
Energy: 1.150765105123892
Energy: 1.0213651857797132
Energy: 1.0159629299073587
Energy: 1.1960313476099522
Energy: 1.1983437392571856
Energy: 1.0160032258969023
Energy: 1.1690287805429178
Energy: 1.1227322091091931
Energy: 1.1950117718870497
Energy: 1.1573354648223657
Energy: 1.1649426049321867
Energy: 1.1773592567478322
Energy: 1.155891854953609
Energy: 1.1738202772348567
Energy: 1.0146585900081544
Energy: 1.1189285428331974
Energy: 1.1383245178927086
Energy: 1.1150065422497417
Energy: 1.1140744379740806
Energy: 1.137382051811436
Energy: 1.1182582750078307
Energy: 1.2229167507076097
Energy: 1.2219971964411234
Energy: 1.1183205146895694
Energy: 0.9816720910165007
Energy: 1.1672848055316993
Energy: 1.2809412431439495
Energy: 1.1669752634009938
Energy: 1.168604456283284
Energy: 1.197901628631675
Energy: 1.169985459584664
Energy: 1.1713398330446425
Energy: 1.165741099072944
Energy: 1.1165771883567788
Energy: 1.198873239563329
Energy: 1.1657314837607884
Energy: 1.1152190021779516
Energy: 1.225748772369704

minimum gb energy = 0.9705052729029732 eV
minimum distance =  2.28923839615893 Angstroms
sigma value = 33


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

Energy: 1.8690307817433713
Energy: 1.40128480192657
Energy: 1.3997201242552786
Energy: 1.3943600572036023
Energy: 1.4938105872052034
Energy: 1.397339100366547
Energy: 1.2641354604474682
Energy: 1.3093669385130398
Energy: 1.3092274055136475
Energy: 1.3751372020735795
Energy: 1.3141441309126822
Energy: 1.3439511779778286
Energy: 1.3928185813110898
Energy: 1.3394553548425285
Energy: 1.3392609346359863
Energy: 1.3932913335516661
Energy: 1.340538223455191
Energy: 1.3393720381197902
Energy: 1.2117103622977834
Energy: 1.3403942740003476
Energy: 1.3405351396171588
Energy: 1.2116758475134413
Energy: 1.193691385731447
Energy: 1.3389699107294832
Energy: 1.1967780916256163
Energy: 1.3093362101381008
Energy: 1.3469625283421065
Energy: 1.196773418926327
Energy: 1.3126804847119686
Energy: 1.3439547017846833
Energy: 1.2103569079540561
Energy: 1.3719787461038981
Energy: 1.3441567275725859
Energy: 1.3252046707840555
Energy: 1.3726780305981858
Energy: 1.3238063035782714
Energy: 1.1972781736827278
Energy: 1.3488245806571468
Energy: 1.3475345227097493
Energy: 1.1970973419976882
Energy: 1.3466146073183725
Energy: 1.231890182814869
Energy: 1.2112297986770186
Energy: 1.310248668009552
Energy: 1.3100240053828867
Energy: 1.211375637597486
Energy: 1.311180095205059
Energy: 1.244272702021677
Energy: 1.2773705560719468
Energy: 1.311301036897398
Energy: 1.3129186140798603
Energy: 1.3045011096963157
Energy: 1.0994452758821793
Energy: 1.3078283529739971
Energy: 1.2854565654879406
Energy: 1.0995547081237054
Energy: 1.0994307352145611
Energy: 1.2868664057080794
Energy: 1.1010368404455886
Energy: 1.0990279488708776
Energy: 1.1976968789766431
Energy: 1.2144180105061513
Energy: 1.2818210799495295
Energy: 1.2809554349861898
Energy: 1.1911673903404167
Energy: 1.2835739446949666
Energy: 1.0986647249874004
Energy: 1.2846387858850592
Energy: 1.284574310665665
Energy: 1.0976568852675945
Energy: 1.2707240661841812
Energy: 1.0983340796235026
Energy: 1.0973747800804476
Energy: 1.3042322305253673
Energy: 1.3056497831179805
Energy: 1.0973472420698318
Energy: 1.2806812535365573
Energy: 1.0978080893659117
Energy: 1.0763462784791613
Energy: 1.3201901773073093
Energy: 1.3029805057180035
Energy: 1.2879223463633453
Energy: 1.3374393999614556
Energy: 1.2914512845505366
Energy: 1.1808394591858933
Energy: 1.1969542678651122
Energy: 1.235707689530526
Energy: 1.1808948846411307
Energy: 1.19982158862971
Energy: 1.2326430721818924
Energy: 1.2047208240401068
Energy: 1.331846791156729
Energy: 1.331623020633367
Energy: 1.2320597814775442
Energy: 1.124494028916411
Energy: 1.2347789990625408
Energy: 1.3928911231788095
Energy: 1.330843351477146
Energy: 1.3308766407096424
Energy: 1.326180463971247
Energy: 1.3526535478594095
Energy: 1.330393938019697
Energy: 1.3753002072476093
Energy: 1.3094925291080004
Energy: 1.3090812911040033
Energy: 1.3752250656165246
Energy: 1.311154375925609
Energy: 1.3261992859301548
Energy: 1.3436238472872961
Energy: 1.3277638644136047
Energy: 1.34847436852374
Energy: 1.354817309124373
Energy: 1.3274740935098819
Energy: 1.3157620600584663
Energy: 1.264127642683289
Energy: 1.3092143035154695
Energy: 1.3091711121043224
Energy: 1.2642408656322393
Energy: 1.3136378090435736
Energy: 1.3094595386527603
Energy: 1.3929049186457936
Energy: 1.3407576939000894
Energy: 1.3403558887284515
Energy: 1.3942034138540484
Energy: 1.3210505088879425
Energy: 1.3408354463943415
Energy: 1.3290576167465273
Energy: 1.3394055005425374
Energy: 1.3395611087520798
Energy: 1.327682539225829
Energy: 1.3405249684650453
Energy: 1.3397950090039934
Energy: 1.1970678208782082
Energy: 1.3095471654292712
Energy: 1.347272302891383
Energy: 1.1971633584734425
Energy: 1.314048109723061
Energy: 1.3441673131040166
Energy: 1.0988173082488297
Energy: 1.37266311212792
Energy: 1.3449703109667046
Energy: 1.3250324527650827
Energy: 1.3714321626016945
Energy: 1.297314907778845
Energy: 1.1971708195907431
Energy: 1.3490266694849316
Energy: 1.3473254395765466
Energy: 1.1972098074244433
Energy: 1.3464400355431805
Energy: 1.3479088353800632
Energy: 1.2118120280625115
Energy: 1.3104619907212962
Energy: 1.3107449491483323
Energy: 1.2135716489788595
Energy: 1.3107809166424156
Energy: 1.2332145639307708
Energy: 1.282890136892316
Energy: 1.3102250988596271
Energy: 1.3102906158226086
Energy: 1.2854302629510284
Energy: 1.0992913544388632
Energy: 1.3209017035423272
Energy: 1.2826656233127423
Energy: 1.0995279398625148
Energy: 1.0994316007204499
Energy: 1.284646197013451
Energy: 1.101955110958982
Energy: 1.0986418380103393
Energy: 1.1961542933682463
Energy: 1.1908766458371811
Energy: 1.2831235105068723
Energy: 1.2834352174602723
Energy: 1.1913669222837826
Energy: 1.2840850478847097
Energy: 1.0972389925920487
Energy: 1.282168966650534
Energy: 1.2822714038354361
Energy: 1.0972288205772847
Energy: 1.272235354752837
Energy: 1.09838536982701
Energy: 1.099514020931888
Energy: 1.3033233966958877
Energy: 1.2150947987993235
Energy: 1.0980106258767772
Energy: 1.2810146850776485
Energy: 1.0982724586351291
Energy: 1.0697226401629862
Energy: 1.3102226434522721
Energy: 1.3219496243835966
Energy: 1.2838142913230892
Energy: 1.3382011551406328
Energy: 1.2901968395650811
Energy: 1.0706840288856914
Energy: 1.1981848851499188
Energy: 1.23237572846655
Energy: 1.0706892568587405
Energy: 1.2136988315309294
Energy: 1.2328532107297352
Energy: 1.2110641006073115
Energy: 1.2473453916551829
Energy: 1.2318420737364408
Energy: 1.2324933062586956
Energy: 1.1243544853328256
Energy: 1.2355881125577513
Energy: 1.3854327687171681
Energy: 1.3531915884113765
Energy: 1.352212430097965
Energy: 1.387926922886989
Energy: 1.2865141999035459
Energy: 1.317295265916007
Energy: 1.3753891794065385
Energy: 1.3092182846174762
Energy: 1.312098445175215
Energy: 1.3755432469907194
Energy: 1.3101258714704793
Energy: 1.3439229819269554
Energy: 1.3431004846052244
Energy: 1.3267629356132686
Energy: 1.345767041492868
Energy: 1.3541971209207022
Energy: 1.3276993344325987
Energy: 1.3157912295595564

minimum gb energy = 1.0697226401629862 eV
minimum distance =  2.29202778872454 Angstroms
sigma value = 41


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

Energy: 1.7365445874219956
Energy: 1.5667854550643399
Energy: 1.560481399588213
Energy: 1.738942301154513
Energy: 1.9959956843883273
Energy: 1.5601459481871653
Energy: 1.3382213855174967
Energy: 1.4217581368607968
Energy: 1.4207115140148951
Energy: 1.4847708137360094
Energy: 1.5347689756320997
Energy: 1.4207754499315608
Energy: 1.5309289770738854
Energy: 1.4709907541804492
Energy: 1.4709038175109794
Energy: 1.423257707792748
Energy: 1.471058280108731
Energy: 1.4169927188115439
Energy: 1.4282064021422347
Energy: 1.470425650308552
Energy: 1.4705484089118086
Energy: 1.4287464072303708
Energy: 1.2765749755537958
Energy: 1.4213417119497733
Energy: 1.278839032454875
Energy: 1.4226644342878703
Energy: 1.4213303476353443
Energy: 1.278814051698167
Energy: 1.4240308312814496
Energy: 1.4770514251801734
Energy: 1.4649500657656753
Energy: 1.4783610375171334
Energy: 1.4763142367379076
Energy: 1.4657462031069959
Energy: 1.4870183001760167
Energy: 1.476954777730677
Energy: 1.2777806850773021
Energy: 1.478352259036748
Energy: 1.4747646568653057
Energy: 1.277814799869274
Energy: 1.4771118768112965
Energy: 1.2798945848740566
Energy: 1.2815260189693791
Energy: 1.4530776983371054
Energy: 1.3386421001047475
Energy: 1.2825535771281795
Energy: 1.4505604421752119
Energy: 1.2790848264929195
Energy: 1.444662776603572
Energy: 1.4587104240838484
Energy: 1.4523192976999049
Energy: 1.4520385495235815
Energy: 1.337273870439977
Energy: 1.4509945534798698
Energy: 1.361238818999581
Energy: 1.279861571381422
Energy: 1.2791540915861868
Energy: 1.3546191063013344
Energy: 1.281048561225358
Energy: 1.337695694496443
Energy: 1.468711943547209
Energy: 1.279292322859507
Energy: 1.4762840953498826
Energy: 1.4746425332463364
Energy: 1.214516730030584
Energy: 1.4775010591978592
Energy: 1.458890359772665
Energy: 1.447164279329943
Energy: 1.4470148084962209
Energy: 1.4594968953383949
Energy: 1.4468890450417036
Energy: 1.3986399658094633
Energy: 1.4861331231661878
Energy: 1.4197453661216548
Energy: 1.420958947122414
Energy: 1.4813162243995353
Energy: 1.4208105138295555
Energy: 1.4226904871621457
Energy: 1.477244748964551
Energy: 1.4218330691795387
Energy: 1.4845075370923706
Energy: 1.4772803853168668
Energy: 1.422238949936899
Energy: 1.4818882383973022

minimum gb energy = 1.214516730030584 eV
minimum distance =  2.31996839306883 Angstroms
sigma value = 11


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

Energy: 2.1432240762528245
Energy: 1.6469004498012738
Energy: 1.732782308540028
Energy: 1.63558344263547
Energy: 1.6489946881804607
Energy: 1.785928039924479
Energy: 1.6321519990715545
Energy: 1.4074094775750885
Energy: 1.4074588116007432
Energy: 1.7118011415108765
Energy: 1.4414183955542823
Energy: 1.408345687314258
Energy: 1.7029588715336152
Energy: 1.5522729099604256
Energy: 1.5011115902004788
Energy: 1.702889808875673
Energy: 1.5175556747885066
Energy: 1.5047348029617473
Energy: 1.5481210566871988
Energy: 1.5572695327807495
Energy: 1.5656597225530187
Energy: 1.54902778017891
Energy: 1.3789456716506907
Energy: 1.5664191038712247
Energy: 1.5031546230845867
Energy: 1.4067587828765515
Energy: 1.4065473096368402
Energy: 1.5034564902125902
Energy: 1.4067438653662319
Energy: 1.4071275366970066
Energy: 1.6775236105650155
Energy: 1.4391931650494905
Energy: 1.526275191407291
Energy: 1.5069538039468393
Energy: 1.4392979221056286
Energy: 1.5709543078948225
Energy: 1.4392539257708574
Energy: 1.5498653594853251
Energy: 1.5235968750246025
Energy: 1.4393183111454226
Energy: 1.5294173295369236
Energy: 1.522746158835872
Energy: 1.4413962350725222
Energy: 1.527989476938759
Energy: 1.4086028168382465
Energy: 1.4416067111027675
Energy: 1.5041996183826631
Energy: 1.4063107204902607
Energy: 1.4161729186793526
Energy: 1.5052424597890914
Energy: 1.5043839684861975
Energy: 1.3969667262908143
Energy: 1.6309502450345084
Energy: 1.5464147032264957
Energy: 1.415784812744872
Energy: 1.5051879314717445
Energy: 1.5047497007094894
Energy: 1.4161685077656412
Energy: 1.5044159928205965
Energy: 1.536370299692639
Energy: 1.441569094727963
Energy: 1.5259040947367886
Energy: 1.4586048113585839
Energy: 1.441399610261524
Energy: 1.442173240602665
Energy: 1.4081726298330592
Energy: 1.420554680761277
Energy: 1.5219838550034248
Energy: 1.5023761459008287
Energy: 1.4217325564537273
Energy: 1.5171994863746256
Energy: 1.5027948835955152
Energy: 1.406231771288592
Energy: 1.5036107900814781
Energy: 1.5043075975076525
Energy: 1.4063255815785125
Energy: 1.6653608781101752
Energy: 1.4587875537361854
Energy: 1.4682465397169397
Energy: 1.5045822093042251
Energy: 1.5046642978361235
Energy: 1.5115543283003645
Energy: 1.7635484480928771
Energy: 1.5044438374538096
Energy: 1.3827190479480647
Energy: 1.5249922358409396
Energy: 1.525198299792101
Energy: 1.3827577830004327
Energy: 1.5055694694218857
Energy: 1.547510845268544
Energy: 1.3836761742453234
Energy: 1.530199634694174
Energy: 1.3815501959306427
Energy: 1.3850307633787442
Energy: 1.5477244009994655
Energy: 1.3812481091280568
Energy: 1.381179662482383
Energy: 1.5597159122904543
Energy: 1.5624671414208757
Energy: 1.3811937624268542
Energy: 1.5455948629826342
Energy: 1.571926173365061
Energy: 1.7428016462775717
Energy: 1.566352109091027
Energy: 1.5377513436068415
Energy: 1.6035703094329123
Energy: 1.5675221827833636
Energy: 1.4829032652566236
Energy: 1.443770915510645
Energy: 1.4449938328431524
Energy: 1.4445951832399024
Energy: 1.4438644083744874
Energy: 1.5672641135726064
Energy: 1.4925335828597008
Energy: 1.5247877697979821
Energy: 1.587941590478069
Energy: 1.5334790016236857
Energy: 1.5264375526266203
Energy: 1.5578027607358826
Energy: 1.469911059832208
Energy: 1.569581131744575
Energy: 1.59564566148178
Energy: 1.4652770428557325
Energy: 1.571566434164292
Energy: 1.3812194200012766
Energy: 1.5059920522860109
Energy: 1.4396607599801892
Energy: 1.4453319541295404
Energy: 1.4450576574821479
Energy: 1.4050187146171973
Energy: 1.4890061620863329
Energy: 1.4458551429910185
Energy: 1.4967007113502655
Energy: 1.534835865116735
Energy: 1.500063799303331
Energy: 1.5494916653798898
Energy: 1.5270279701085916
Energy: 1.5003531576788907
Energy: 1.5667804232760756
Energy: 1.4447464319397947
Energy: 1.5203027487807061
Energy: 1.5666632947053214
Energy: 1.4442449807381594
Energy: 1.4627057650299027
Energy: 1.567347212119505
Energy: 1.549263376807643
Energy: 1.5280242340225894
Energy: 1.5689571219203353
Energy: 1.6543540619278556
Energy: 1.5284953021089813
Energy: 1.5733541501276878
Energy: 1.380592138219622
Energy: 1.5617508970400138
Energy: 1.5425936892402854
Energy: 1.3815391995704935
Energy: 1.5800976218682732
Energy: 1.5503159654893586
Energy: 1.3819588831453946
Energy: 1.3812240546375023
Energy: 1.5496136877159767
Energy: 1.3823842332311318
Energy: 1.3812486980546983
Energy: 1.5475361887327
Energy: 1.3816743371176812
Energy: 1.5488677178749648
Energy: 1.5246565183079068
Energy: 1.3833383135096902
Energy: 1.54781995359877
Energy: 1.7703729056444657
Energy: 1.5130672922732522
Energy: 1.4927560136930236
Energy: 1.7114683916542774
Energy: 1.5138295228724006
Energy: 1.4931378314361328
Energy: 1.7113283699237922
Energy: 1.4061452562021322
Energy: 1.459208039334644
Energy: 1.7129546906416018
Energy: 1.4060312756660223
Energy: 1.544892889929594
Energy: 2.147105289440268
Energy: 1.43125968548207
Energy: 1.4700823980831002
Energy: 1.5632949740928286
Energy: 1.4225611007837453
Energy: 1.4705557865858003

minimum gb energy = 1.3789456716506907 eV
minimum distance =  2.30904645020939 Angstroms
sigma value = 57


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

Energy: 1.9357813450006316
Energy: 1.6639458193766161
Energy: 1.6952174202971806
Energy: 1.9392800642616217
Energy: 2.1308628441384445
Energy: 1.698982412870816
Energy: 1.3456259719157078
Energy: 1.4153519250064728
Energy: 1.3856259621502764
Energy: 1.5476949800020918
Energy: 1.5516495007995783
Energy: 1.4036461513366245
Energy: 1.5124601114750866
Energy: 1.3995129968177318
Energy: 1.377289642187264
Energy: 1.5126623674669606
Energy: 1.4085361248500807
Energy: 1.3847068373315286
Energy: 1.511817949398517
Energy: 1.4038977829455812
Energy: 1.380082532211482
Energy: 1.5137460923558295
Energy: 1.4065470576242949
Energy: 1.3811599570629702
Energy: 1.412795632369942
Energy: 1.3810649210962194
Energy: 1.3817248369942905
Energy: 1.4129918010911138
Energy: 1.3796601616008608
Energy: 1.3793977096832561
Energy: 1.461270414736113
Energy: 1.401685002150203
Energy: 1.401285085656127
Energy: 1.4156019157554425
Energy: 1.512182254013859
Energy: 1.4143924038631983
Energy: 1.5130803031479017
Energy: 1.4463857531694955
Energy: 1.4469755469072907
Energy: 1.5150134171202096
Energy: 1.4501876471008215
Energy: 1.4009606550275475
Energy: 1.5475675875120922
Energy: 1.4047407353616268
Energy: 1.383394930644947
Energy: 1.549539503035689
Energy: 1.4138001043368744
Energy: 1.381828353668027
Energy: 1.3461009754746673
Energy: 1.3792150523621733
Energy: 1.3479272404087574
Energy: 1.3520993207476524
Energy: 1.513664913963283
Energy: 1.3471167193003535
Energy: 1.3461465421338037
Energy: 1.379152879874534
Energy: 1.34777155753253
Energy: 1.4277120581639735
Energy: 1.519102885628453
Energy: 1.3468692568508844
Energy: 1.5476163206976103
Energy: 1.4037735192354917
Energy: 1.4045443760454817
Energy: 1.5495534851557888
Energy: 1.4136452035390548
Energy: 1.3824255923234512
Energy: 1.5066620512740214
Energy: 1.5767496423051681
Energy: 1.57798015756543
Energy: 1.507792316206112
Energy: 1.6930321478002213
Energy: 1.3795196575677704
Energy: 1.4128067097597385
Energy: 1.414915466590656
Energy: 1.4150215013931668
Energy: 1.4147322043475956
Energy: 1.4163518847548533
Energy: 1.5325820548511613
Energy: 1.6990988597360288
Energy: 1.3810954247303393
Energy: 1.379395587201509
Energy: 1.415492825595351
Energy: 1.5163626726575787
Energy: 1.3796593952166418
Energy: 1.5120521746682425
Energy: 1.4472359613800856
Energy: 1.3830557254964735
Energy: 1.5121963434072314
Energy: 1.4481671411406263
Energy: 1.3811748448739347
Energy: 1.5218397143005928
Energy: 1.4471690460574147
Energy: 1.4273722102329662
Energy: 1.522091432945907
Energy: 1.4474838040182
Energy: 1.3849817566767595
Energy: 1.345596007035017
Energy: 1.4137917657047296
Energy: 1.414671374189565
Energy: 1.3457112525012855
Energy: 1.4158543127472183
Energy: 1.4143668271643342

minimum gb energy = 1.345596007035017 eV
minimum distance =  2.31503815038311 Angstroms
sigma value = 9


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

Energy: 2.2610883392632046
Energy: 1.6148092208156872
Energy: 1.6224971169265547
Energy: 1.5355106180917282
Energy: 1.546414104046562
Energy: 1.5310501095614366
Energy: 1.611233050180635
Energy: 1.520395552560266
Energy: 1.4882299760866486
Energy: 1.5768560373270364
Energy: 1.5370346964657464
Energy: 1.4997138547085032
Energy: 1.5428212841562634
Energy: 1.6317487378374131
Energy: 1.5015133038769088
Energy: 1.5442441120383108
Energy: 1.5253767030377914
Energy: 1.605551270642652
Energy: 1.4847206072583803
Energy: 1.50783396484239
Energy: 1.486313798912693
Energy: 1.4844636491398082
Energy: 1.4993735785806512
Energy: 1.5059968035409421
Energy: 1.539419049434034
Energy: 1.458555889235144
Energy: 1.4984438386288137
Energy: 1.5394169656889534
Energy: 1.5198133408213979
Energy: 1.5103907607837534
Energy: 1.478694457400789
Energy: 1.4718397178450495
Energy: 1.4672728924845606
Energy: 1.4805958685250107
Energy: 1.5169896215019936
Energy: 1.4666767205378046
Energy: 1.4934617193135546
Energy: 1.5769414749218749
Energy: 1.5308440310188989
Energy: 1.4942955287451531
Energy: 1.5046888139232952
Energy: 1.5263430708862293
Energy: 1.5717664180095956
Energy: 1.463059460710663
Energy: 1.4723429260043428
Energy: 1.573224629380671
Energy: 1.4650588595758238
Energy: 1.4741844631404721
Energy: 1.680305977394231
Energy: 1.54402476883803
Energy: 1.5146538626384918
Energy: 1.5282764782600806
Energy: 1.5600985309635496
Energy: 1.5109710862174601
Energy: 1.594052740615778
Energy: 1.5130522700159517
Energy: 1.5146990945367032
Energy: 1.5522742165119106
Energy: 1.494817250384638
Energy: 1.498461613814664
Energy: 1.572159333172147
Energy: 1.4676998750871504
Energy: 1.4677648275562434
Energy: 1.5739821374002596
Energy: 1.46676107727454
Energy: 1.4779904576873104
Energy: 1.5350983198488317
Energy: 1.48836809429761
Energy: 1.502516303355015
Energy: 1.5366175606608887
Energy: 1.5159852415387154
Energy: 1.5099656580881344
Energy: 1.753029729947039
Energy: 1.5648456598731502
Energy: 1.6041762857584765
Energy: 1.481656126866519
Energy: 1.5686344524180915
Energy: 1.6839504480289424
Energy: 1.6035458564165284
Energy: 1.5066189585106942
Energy: 1.506870934519112
Energy: 1.6039495325562525
Energy: 1.554637302459897
Energy: 1.4856424431574202
Energy: 1.5343893209568007
Energy: 1.4637904471969698
Energy: 1.463852714264459
Energy: 1.5349401868784278
Energy: 1.5259116071528442
Energy: 1.5185385126475373
Energy: 1.5150084810552495
Energy: 1.4921119530499092
Energy: 1.510807163666014
Energy: 1.5145101337830225
Energy: 1.5626542316961067
Energy: 1.5139590553974962
Energy: 1.5049584877204087
Energy: 1.5018899432241706
Energy: 1.48603115102519
Energy: 1.5055712185446544
Energy: 1.534346444855645
Energy: 1.4860754004263115
Energy: 1.6495512081649788
Energy: 1.5972440803935413
Energy: 1.6128414412979055
Energy: 1.6514442829163496
Energy: 1.5891215176918083
Energy: 1.6145376508225846
Energy: 1.5090777805407827
Energy: 1.488010065418533
Energy: 1.5011853858540483
Energy: 1.509132509567675
Energy: 1.5696880042034245
Energy: 1.49815972624419
Energy: 1.5052148918430435
Energy: 1.4879060999694924
Energy: 1.4870132405634104
Energy: 1.5053284733774746
Energy: 1.5245506859725215
Energy: 1.5031534744463257
Energy: 1.5278763596431946
Energy: 1.522366110330755
Energy: 1.5187724597164247
Energy: 1.4690787930926765
Energy: 1.5194397776821342
Energy: 1.5060110114540106

minimum gb energy = 1.458555889235144 eV
minimum distance =  2.28145280672019 Angstroms
sigma value = 27


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

Energy: 1.9237093092094022
Energy: 1.5691792808942215
Energy: 1.740653332307554
Energy: 1.7366575555942418
Energy: 2.0070561674068395
Energy: 1.5674354206073176
Energy: 1.565536622676343
Energy: 1.5829840357689176
Energy: 1.600864291952343
Energy: 1.6143353774561688
Energy: 1.5779621361537874
Energy: 1.5302249481083365
Energy: 1.6560643682432217
Energy: 1.6652076670064082
Energy: 1.5222259384803536
Energy: 1.4744270912987159
Energy: 1.4836323796287567
Energy: 1.649894661805177
Energy: 1.706398636593541
Energy: 1.6484734839394495
Energy: 1.6220446227538874
Energy: 1.5840498945418835
Energy: 1.4641960258891031
Energy: 1.6368830650227066
Energy: 1.4934824171543994
Energy: 1.5788653959039212
Energy: 1.6194959547556131
Energy: 1.4872164115402617
Energy: 1.674815070827746
Energy: 1.5648809379461661
Energy: 1.675249374538485
Energy: 1.5794369012850142
Energy: 1.5769712881891698
Energy: 1.6540296842369198
Energy: 1.6428915345951844
Energy: 1.5758874298934298
Energy: 1.68802380732294
Energy: 1.5681018101197457
Energy: 1.566961291633177
Energy: 1.4991021632041044
Energy: 1.6651916700730052
Energy: 1.566556815914949
Energy: 1.6551324324457204
Energy: 1.5819891288489192
Energy: 1.5744856529684015
Energy: 1.6418519322417002
Energy: 1.55677265703787
Energy: 1.6732274901531552
Energy: 1.7404015925322944
Energy: 1.6468792878971288
Energy: 1.5909613913758016
Energy: 1.574497362560136
Energy: 1.6476165683001298
Energy: 1.5965174342563404
Energy: 1.74053897147667
Energy: 1.5555279843832337
Energy: 1.55956225873727
Energy: 1.5750865391260045
Energy: 1.5543636419739457
Energy: 1.5567397107598997
Energy: 1.6855791367569923
Energy: 1.5923983180847834
Energy: 1.7040706703543316
Energy: 1.664545489681021
Energy: 1.4835841778398666
Energy: 1.616632964822514
Energy: 1.5760114754547225
Energy: 1.5215473901389296
Energy: 1.5324987082469406
Energy: 1.5761650277445716
Energy: 1.4969756951692694
Energy: 1.5324839651194682
Energy: 1.608966295510283
Energy: 1.6059922258900559
Energy: 1.6133069464927114
Energy: 1.6107317398285903
Energy: 1.6027856037369588
Energy: 1.612906013218366
Energy: 1.6710140951439136
Energy: 1.6086112597035995
Energy: 1.6219908737081203
Energy: 1.6001349373655653
Energy: 1.6026045845522767
Energy: 1.592428522679663
Energy: 1.575303355815755
Energy: 1.5215455204836843
Energy: 1.5324751975722466
Energy: 1.5773581409048016
Energy: 1.5225843853381154
Energy: 1.5404069379237646
Energy: 1.6282281734492219
Energy: 1.561669854126877
Energy: 1.5741719573391608
Energy: 1.5836679725960285
Energy: 1.5501044675799003
Energy: 1.5732734649097315
Energy: 1.5051076066093834
Energy: 1.5935423192861198
Energy: 1.5928021022222782
Energy: 1.4956735432223405
Energy: 1.6197379227591144
Energy: 1.5902250967966818
Energy: 1.6107421997177431
Energy: 1.6108450894913082
Energy: 1.5826686177660751
Energy: 1.584961857935771
Energy: 1.6447121698605756
Energy: 1.5773909576745124
Energy: 1.6411584161406771
Energy: 1.5449749893272524
Energy: 1.5453322268279617
Energy: 1.627587716788798
Energy: 1.5553692983321532
Energy: 1.5420359968223878
Energy: 1.7013317636988305
Energy: 1.5680641412194218
Energy: 1.5421824783287843
Energy: 1.5020592890840632
Energy: 1.5554691446073659
Energy: 1.5419896284118877
Energy: 1.8239710220435177
Energy: 1.6284393496320895
Energy: 1.6574870315771753
Energy: 1.6637448587965815
Energy: 1.6540394186216452
Energy: 1.6414287102290497
Energy: 1.4880283646218515
Energy: 1.6053652839136223
Energy: 1.5954173245369492
Energy: 1.4823822296575022
Energy: 1.6060978051919348
Energy: 1.5472991889351768
Energy: 1.8433873728847965
Energy: 1.649725572670037
Energy: 1.6273881595164943
Energy: 1.6938231656700329
Energy: 1.6295036710872304
Energy: 1.6504131184433932
Energy: 1.6562982520457346
Energy: 1.6319560863767868
Energy: 1.5072521637503191
Energy: 1.474624649766105
Energy: 1.606305052194678
Energy: 1.6475031369806783
Energy: 1.6076597198380704
Energy: 1.6284080168529746
Energy: 1.6073076098281331
Energy: 1.525035968435188
Energy: 1.6203674988594645
Energy: 1.553791397334177

minimum gb energy = 1.4641960258891031 eV
minimum distance =  2.24756400605676 Angstroms
sigma value = 19


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

Energy: 2.1800077529035695
Energy: 1.5816795152899994
Energy: 1.5898804918843408
Energy: 1.5066592826710725
Energy: 1.5865185631464014
Energy: 1.5452115271523847
Energy: 1.6411811529820384
Energy: 1.5281916658788528
Energy: 1.522657644443762
Energy: 1.7358838431647838
Energy: 1.5212397350742866
Energy: 1.5237493953308625
Energy: 1.5286963987429774
Energy: 1.4176500668911334
Energy: 1.4880785545527433
Energy: 1.5281654767928436
Energy: 1.4182490597096093
Energy: 1.4948918348445677
Energy: 1.5220255620093106
Energy: 1.5276397597444176
Energy: 1.5280903170227982
Energy: 1.5207799503337611
Energy: 1.5253066936620692
Energy: 1.526132901986446
Energy: 1.4346280828143116
Energy: 1.5219351285139187
Energy: 1.5192898289122811
Energy: 1.4363834377738678
Energy: 1.52941073042487
Energy: 1.49419920030345
Energy: 1.5676579304327398
Energy: 1.527769412208924
Energy: 1.5285669210368336
Energy: 1.5612964952388009
Energy: 1.617303898520374
Energy: 1.5270130589472464
Energy: 1.511236341424005
Energy: 1.530571886454476
Energy: 1.5333989958150962
Energy: 1.5264271263141032
Energy: 1.521680281969815
Energy: 1.5028870889229389
Energy: 1.5207017065075545
Energy: 1.4957649234569084
Energy: 1.522252960138897
Energy: 1.5269494552985723
Energy: 1.5377707810198626
Energy: 1.5196987607636856
Energy: 1.418204609226128
Energy: 1.5015367458371642
Energy: 1.4909405502515707
Energy: 1.41713742037334
Energy: 1.5288011433543334
Energy: 1.4948541633477115
Energy: 1.4165097658997479
Energy: 1.5073270556278506
Energy: 1.5057400572612465
Energy: 1.4175520418517582
Energy: 1.4920114267304443
Energy: 1.506367675985249
Energy: 1.5211805068347861
Energy: 1.3944374307573775
Energy: 1.3995511775159906
Energy: 1.521322674296293
Energy: 1.3944260499464411
Energy: 1.3972118424698003
Energy: 1.5991577539365713
Energy: 1.5082859322647981
Energy: 1.5106181866110464
Energy: 1.6009347527201878
Energy: 1.512404607344974
Energy: 1.508738722686373
Energy: 1.4896995596731546
Energy: 1.4997662262260212
Energy: 1.5084568121639672
Energy: 1.4488974875800538
Energy: 1.524560780554612
Energy: 1.5022913579579302
Energy: 1.5744778760633358
Energy: 1.5068110934024048
Energy: 1.508056647701257
Energy: 1.4756258538508318
Energy: 1.5115056142791192
Energy: 1.4973659536731287
Energy: 1.503439958229999
Energy: 1.3955014073896632
Energy: 1.4890436251790509
Energy: 1.5029934917239345
Energy: 1.3928546872470147
Energy: 1.4894221338768918
Energy: 1.543113716757976
Energy: 1.4881717772181304
Energy: 1.4887309509120452
Energy: 1.539042963077202
Energy: 1.3936518989019584
Energy: 1.4874238049672108
Energy: 1.4610467224039758
Energy: 1.4861710779129678
Energy: 1.528757171220375
Energy: 1.3919645687439248
Energy: 1.4856703391141237
Energy: 1.5110127695203204
Energy: 1.5391697915960967
Energy: 1.4960243219533957
Energy: 1.4955185167217329
Energy: 1.4804099842579648
Energy: 1.544985089262886
Energy: 1.4868337352378473
Energy: 1.530805601238478
Energy: 1.4608105553620638
Energy: 1.5274519318356314
Energy: 1.532440573162746
Energy: 1.4660818951549897
Energy: 1.5071071136737957
Energy: 1.5151944997495093
Energy: 1.5447163229394
Energy: 1.5276093704804614
Energy: 1.517131322454551
Energy: 1.3899675991563325
Energy: 1.5072170693717923
Energy: 1.397681343634443
Energy: 1.4954183016193108
Energy: 1.493377518349174
Energy: 1.3980089752478821
Energy: 1.5033698577995194
Energy: 1.4913329858628297
Energy: 1.4406649998707102
Energy: 1.513083118079346
Energy: 1.5074171961285336
Energy: 1.4397023970780904
Energy: 1.5442009568162842
Energy: 1.4982917269898826
Energy: 1.4974601192730432
Energy: 1.507978306026084
Energy: 1.528928472555111
Energy: 1.4974304453027414
Energy: 1.5022058511929672
Energy: 1.4884952561541027
Energy: 1.5196741234165039
Energy: 1.4900477184830172
Energy: 1.4832144879303923
Energy: 1.5200452910682651
Energy: 1.3841035049536778
Energy: 1.490891793982376
Energy: 1.4953017217240527
Energy: 1.5050544604921139
Energy: 1.5106026388788318
Energy: 1.4589637331285044
Energy: 1.5033075834602831
Energy: 1.5116872135550783
Energy: 1.4497075399824702
Energy: 1.520837339665821
Energy: 1.5285146453103318
Energy: 1.4142703628858329
Energy: 1.5198856227312527
Energy: 1.5179365042327915
Energy: 1.5117738040439994
Energy: 1.504701714324832
Energy: 1.4985127740495239
Energy: 1.5117338539224785
Energy: 1.4189697983406635
Energy: 1.497090212858234
Energy: 1.5275320521398437
Energy: 1.504746187749265
Energy: 1.5112084672853026
Energy: 1.5281334881182191
Energy: 1.4176480355372838
Energy: 1.5126313497790116
Energy: 1.5141031428877942
Energy: 1.557368989454532
Energy: 1.5584501644856634
Energy: 1.3823304233631206
Energy: 1.528725909659497
Energy: 1.479912574459155

minimum gb energy = 1.3823304233631206 eV
minimum distance =  2.28221963174631 Angstroms
sigma value = 101


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

Energy: 1.9909178807683507
Energy: 1.5199391047480526
Energy: 1.4937573065142495
Energy: 1.8682688140396824
Energy: 1.516895145545067
Energy: 1.8706579713078115
Energy: 1.5333016481903796
Energy: 1.4892303346150222
Energy: 1.4733705815899827
Energy: 1.5932367395771505
Energy: 1.4928576509852192
Energy: 1.4729871711062061
Energy: 1.5201633913919552
Energy: 1.3510168984853697
Energy: 1.3479074918621383
Energy: 1.5205241460151682
Energy: 1.3504045959933908
Energy: 1.3472288362120644
Energy: 1.491630593911792
Energy: 1.4749466637347737
Energy: 1.4706045505756817
Energy: 1.4927070783543122
Energy: 1.4709827956137724
Energy: 1.4696666331209876
Energy: 1.3677762524764068
Energy: 1.5017006140410891
Energy: 1.4683657808095323
Energy: 1.3709481849621972
Energy: 1.5220715942937808
Energy: 1.3674471359955505
Energy: 1.4723432239261292
Energy: 1.4706222016657386
Energy: 1.4722162464293405
Energy: 1.4740759475583627
Energy: 1.5166611881884229
Energy: 1.4712784177292626
Energy: 1.4601074912023302
Energy: 1.4014897660921888
Energy: 1.4031612095012216
Energy: 1.4617760221385487
Energy: 1.3987180763438167
Energy: 1.4122103698703985
Energy: 1.523732812126357
Energy: 1.4717291681093045
Energy: 1.4740654026922584
Energy: 1.4942293521857395
Energy: 1.4669572457921691
Energy: 1.473050232644782
Energy: 1.3498107798732688
Energy: 1.453406731063045
Energy: 1.3489573151839185
Energy: 1.349924831794746
Energy: 1.5188937503923488
Energy: 1.34910312924213
Energy: 1.3463762528196
Energy: 1.4740700315368962
Energy: 1.4707103633383247
Energy: 1.34707831095464
Energy: 1.5167981388146283
Energy: 1.4705428893536687
Energy: 1.4997161596203852
Energy: 1.318780714008315
Energy: 1.3182334369981323
Energy: 1.4997713992868784
Energy: 1.3176046131413433
Energy: 1.3182987124102374
Energy: 1.4994126362572793
Energy: 1.4700198083035774
Energy: 1.471923533178951
Energy: 1.4991195417701715
Energy: 1.4765221866151497
Energy: 1.4699114454206599
Energy: 1.4008195200089002
Energy: 1.479453838001927
Energy: 1.434235340774065
Energy: 1.3458193955554503
Energy: 1.5201907541140882
Energy: 1.407252016716664
Energy: 1.4001165991046514
Energy: 1.4787969729274992
Energy: 1.4768570202414404
Energy: 1.45288559223272
Energy: 1.5054764801865337
Energy: 1.4718181117597395
Energy: 1.518385434692226
Energy: 1.3479381373920087
Energy: 1.347547972777708
Energy: 1.5203722306480272
Energy: 1.3518276578464288
Energy: 1.3495214338116894
Energy: 1.5894612714906138
Energy: 1.4534562296391533
Energy: 1.4718353178615102
Energy: 1.534804352400617
Energy: 1.3496664849871347
Energy: 1.4704002085929297
Energy: 1.991044041451898
Energy: 1.427425067988551
Energy: 1.4718408763415403
Energy: 1.316452661252615
Energy: 1.4274693047492146
Energy: 1.3176745361037328
Energy: 1.534567014752071
Energy: 1.5034150798576622
Energy: 1.4893031103475116
Energy: 1.5366020405005336
Energy: 1.503877773579872
Energy: 1.4678951870127193
Energy: 1.5185053447320418
Energy: 1.4020592840673136
Energy: 1.4751484197575084
Energy: 1.5186876800119589
Energy: 1.34750449713142
Energy: 1.47371033170726
Energy: 1.5026305973048246
Energy: 1.4713935757443237
Energy: 1.4734275203719256
Energy: 1.5039810001109917
Energy: 1.349355955179635
Energy: 1.4720727587180806
Energy: 1.372261239263454
Energy: 1.498431503440123
Energy: 1.4062430614924053
Energy: 1.369813332049027
Energy: 1.5016275808480422
Energy: 1.3679274418783636
Energy: 1.4461125364626748
Energy: 1.4748173112444565
Energy: 1.4723432705737223
Energy: 1.448240741673605
Energy: 1.535688138378655
Energy: 1.4720273538795832
Energy: 1.4160134922010048
Energy: 1.4028117889243485
Energy: 1.4471772966481884
Energy: 1.416100423001286
Energy: 1.3986095245504826
Energy: 1.40194906863185
Energy: 1.4529810081075556
Energy: 1.4674014486548317
Energy: 1.4709129919915571
Energy: 1.4523777158672386
Energy: 1.4088457295016126
Energy: 1.4712970341329015
Energy: 1.3636278574502698
Energy: 1.4756554575097882
Energy: 1.4727041826917822
Energy: 1.3641971365186984
Energy: 1.4998185108959603
Energy: 1.446382286788423
Energy: 1.3491565681129745
Energy: 1.4772723445578124
Energy: 1.4705482472358646
Energy: 1.3509929764262099
Energy: 1.516356147412681
Energy: 1.4711645617913054
Energy: 1.5145881714125073
Energy: 1.3193755495484174
Energy: 1.4733461219296176
Energy: 1.4993423544823028
Energy: 1.3183262317652424
Energy: 1.4688274356890214
Energy: 1.5158889891072982
Energy: 1.4603963272494795
Energy: 1.47305132196297
Energy: 1.5172608555696445
Energy: 1.318803392592387
Energy: 1.4776771537626028
Energy: 1.4001430762277969
Energy: 1.492404933266835
Energy: 1.4761458780971033
Energy: 1.3437114419000638
Energy: 1.5188170577279914
Energy: 1.4757340805139503
Energy: 1.401444246099222
Energy: 1.4869292377166976
Energy: 1.4058100136964546
Energy: 1.3437525334077072
Energy: 1.4993874220022496
Energy: 1.4493636672227723
Energy: 1.5161840853200472
Energy: 1.349716037449328
Energy: 1.4535212742413466
Energy: 1.517421178339864
Energy: 1.3476655750978201
Energy: 1.4550794173011066
Energy: 1.5182995764197527
Energy: 1.4017055788119779
Energy: 1.4498233438051527
Energy: 1.5191027629618228
Energy: 1.3991526681397375
Energy: 1.4066042923225819
Energy: 1.4264130628113743
Energy: 1.349622111067633
Energy: 1.4100649318477794
Energy: 1.315925952956543
Energy: 1.4277932968377074
Energy: 1.4101454736630181

minimum gb energy = 1.315925952956543 eV
minimum distance =  2.28557711775977 Angstroms
sigma value = 33


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

Energy: 0.020466031027655266
Energy: 0.02165586684661338
Energy: 0.021278008011527624
Energy: 0.02311495379218164
Energy: 1.1174059407801702
Energy: 0.02106737777529875
Energy: 0.021639869584557728
Energy: 0.17753378165778474
Energy: 0.17488462930858825
Energy: 0.1752748856630947
Energy: 0.17507089713447938
Energy: 0.17455628520462285
Energy: 1.701633911106921
Energy: 1.1183088709472326
Energy: 1.1158279306070356
Energy: 1.1125774776980046
Energy: 1.1166318523836782
Energy: 1.1158046411373321
Energy: 0.7594247864089279
Energy: 0.17753378165731734
Energy: 0.17488462930858825
Energy: 0.17527488566402952
Energy: 0.17507089713354462
Energy: 0.17455628520415545

minimum gb energy = 0.020466031027655266 eV
minimum distance =  2.45865497713197 Angstroms
sigma value = 1