Model name: model_name=MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_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=4.450350014499071
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, 3.8083898807843395e-19, 4.2789331364237998e-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: 0.018089586651800826
Energy: 0.018603450087335383
Energy: 0.018618591197600648
Energy: 0.018403303402528805
Energy: 0.6718588774925138
Energy: 0.018624687965635905
Energy: 0.018603450087335383
Energy: 0.16004755291584735
Energy: 0.15998081418093366
Energy: 0.15972419038234398
Energy: 0.15975146658400888
Energy: 0.16135353433081437
Energy: 0.018618591198224926
Energy: 0.15998081418126417
Energy: 0.16140211673168636
Energy: 0.01857869324762467
Energy: 0.15968725436320644
Energy: 0.16078063972323373
Energy: 0.018403303402822584
Energy: 0.15972419038168295
Energy: 0.01857869324729417
Energy: 0.018557408997595153
Energy: 0.15989771580902196
Energy: 0.01851483876360753
Energy: 0.6718588774918896
Energy: 0.15975146658367836
Energy: 0.15968725436320644
Energy: 0.15989771580902196
Energy: 0.15972733516841367
Energy: 0.15965524441807033
Energy: 0.018624687965342123
Energy: 0.16135353433048383
Energy: 0.16078063972257273
Energy: 0.01851483876393803
Energy: 0.15965524441840082
Energy: 0.018505497973791724

minimum gb energy = 0.018089586651800826 eV
minimum distance =  2.48701234502842 Angstroms
sigma value = 1


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

Energy: 2.059800132503335
Energy: 1.5507499289058333
Energy: 1.4122127928481598
Energy: 1.4438081624400614
Energy: 1.7366585619439083
Energy: 1.9082602188278506
Energy: 1.9230101525787198
Energy: 1.3450679183525895
Energy: 1.3449037315780596
Energy: 1.395977262068056
Energy: 1.345007343504447
Energy: 1.3439224604138347
Energy: 1.8705376261081113
Energy: 1.3441514235481418
Energy: 1.3442083612229017
Energy: 1.354912406999192
Energy: 1.3442558979950685
Energy: 1.3050350762676601
Energy: 1.964205588100758
Energy: 1.2961565193137505
Energy: 1.342112126840626
Energy: 1.3265934223628428
Energy: 1.3492460754075064
Energy: 1.3263248517617214
Energy: 1.8651964024210694
Energy: 1.4008896868029161
Energy: 1.4007856655552295
Energy: 1.4031097504483567
Energy: 1.401262192296103
Energy: 1.4005543868305312
Energy: 1.8185315241487159
Energy: 1.400744764977903
Energy: 1.399756126285232
Energy: 1.3827590021222205
Energy: 1.4010728306812121
Energy: 1.3815078596392791
Energy: 1.8205688179498325
Energy: 1.3806346210580365
Energy: 1.3804979173506902
Energy: 1.3799596505038267
Energy: 1.396239230381294
Energy: 1.3806485986776627
Energy: 1.7356898451752203
Energy: 1.4015399653169518
Energy: 1.4020519369924584
Energy: 1.3928395636503386
Energy: 1.3994390211631653
Energy: 1.3813932405333962
Energy: 1.4868532904862783
Energy: 1.3969754558319145
Energy: 1.3816689357682648
Energy: 1.4067357645824867
Energy: 1.3967967259519458
Energy: 1.3793118352598919
Energy: 1.4834994729500326
Energy: 1.4009555792448873
Energy: 1.3636382531416973
Energy: 1.3766580351613338
Energy: 1.400945720756548
Energy: 1.3635637880831624
Energy: 1.5200783149292525
Energy: 1.3531012569708156
Energy: 1.3540826436994693
Energy: 1.5198615936125894
Energy: 1.3535738756428226
Energy: 1.3520536161886163
Energy: 1.344297355303854
Energy: 1.3587453781616434
Energy: 1.359294813076919
Energy: 1.34432880569792
Energy: 1.371387431725674
Energy: 1.3441183186135934
Energy: 1.3447380387665966
Energy: 1.3875598737004589
Energy: 1.3874481340246916
Energy: 1.3446652358451396
Energy: 1.3706303008954868
Energy: 1.3442374681243696
Energy: 1.394322540474494
Energy: 1.3758703975016415
Energy: 1.3562915446507298
Energy: 1.393897069600263
Energy: 1.3551673082591504
Energy: 1.3279493412259962
Energy: 1.394543066528286
Energy: 1.4015470204064393
Energy: 1.3270265669209205
Energy: 1.3441030132982457
Energy: 1.4032160248999828
Energy: 1.3442449887358319
Energy: 1.3978375327835828
Energy: 1.3254790897082223
Energy: 1.3254705610690438
Energy: 1.378561606333477
Energy: 1.3714990479087406
Energy: 1.3454016867657919
Energy: 1.7002303638898772
Energy: 1.391550351101643
Energy: 1.391459194089643
Energy: 1.3579697318087012
Energy: 1.3791469619127699
Energy: 1.328105824934657
Energy: 1.6471921566976262
Energy: 1.3999186686987002
Energy: 1.3992179212085498
Energy: 1.4002247763985387
Energy: 1.4469228822177445
Energy: 1.399319827515023
Energy: 1.6509616223285943
Energy: 1.399581224345003
Energy: 1.3989700636541789
Energy: 1.3996047703984942
Energy: 1.3994794860842412
Energy: 1.412189935260479
Energy: 1.8710614060814548
Energy: 1.4002871338029184
Energy: 1.4132173358619438
Energy: 1.3996708973012049
Energy: 1.3995957665670073
Energy: 1.398425844663862
Energy: 1.8852791048537512
Energy: 1.3958415181456034
Energy: 1.375585970479415
Energy: 1.3549424821041811
Energy: 1.4323608848224867
Energy: 1.3958353520754199
Energy: 1.8878958208756393
Energy: 1.373778312817628
Energy: 1.372260044767744
Energy: 1.383832846885169
Energy: 1.389134089235528
Energy: 1.3408595705168038
Energy: 1.9228761485797616
Energy: 1.3440885594277807
Energy: 1.3442476932058702
Energy: 1.3822382752689204
Energy: 1.344164291363781
Energy: 1.3439081793834216

minimum gb energy = 1.2961565193137505 eV
minimum distance =  2.32703656945609 Angstroms
sigma value = 33


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

Energy: 2.412460474423668
Energy: 1.5251005262608954
Energy: 1.82817611643891
Energy: 1.8244337732183786
Energy: 1.4409558039074615
Energy: 1.9295917283926818
Energy: 1.662116532721326
Energy: 1.3780338979667484
Energy: 1.378058472198883
Energy: 1.3776849644279374
Energy: 1.378128663912792
Energy: 1.3773903405676509
Energy: 1.9473234715441694
Energy: 1.3874896872685722
Energy: 1.4160008881246129
Energy: 1.5032830317565544
Energy: 1.3877303271538883
Energy: 1.5402075256122179
Energy: 1.8649845807871006
Energy: 1.5275323596909023
Energy: 1.5185802087240095
Energy: 1.4606223235749642
Energy: 1.5247714537840888
Energy: 1.4288517738729791
Energy: 1.8303224539532632
Energy: 1.5196674655727065
Energy: 1.5184683196190427
Energy: 1.4096101549728068
Energy: 1.5191352940342029
Energy: 1.5504197224052583
Energy: 1.910948111157483
Energy: 1.5623144379397655
Energy: 1.5642391592983624
Energy: 1.52966454485096
Energy: 1.5336174312723485
Energy: 1.5135437421988214
Energy: 1.9097046203255892
Energy: 1.5180042180337359
Energy: 1.520056751945377
Energy: 1.517764028490031
Energy: 1.5564404997346615
Energy: 1.5165601160660862
Energy: 1.8271354475511608
Energy: 1.4851062001962387
Energy: 1.4849668456597351
Energy: 1.6184616306757755
Energy: 1.4864035962769855
Energy: 1.4869828158564837
Energy: 1.6011863480771442
Energy: 1.4948782738339195
Energy: 1.552936044517807
Energy: 1.5638278192418105
Energy: 1.4947814999530984
Energy: 1.5562115255182827
Energy: 1.6019831973117162
Energy: 1.5652620052280453
Energy: 1.5479179906479061
Energy: 1.546976488263095
Energy: 1.5482471912593334
Energy: 1.5503192378593402
Energy: 1.7883665501936283
Energy: 1.8231973223249864
Energy: 1.8228885709633675
Energy: 1.4805852498191496
Energy: 1.8235507549230374
Energy: 1.832156307650746
Energy: 1.5227303445995999
Energy: 1.3497389828117001
Energy: 1.5075335702019195
Energy: 1.5228077173690855
Energy: 1.323062790303593
Energy: 1.5060711333050893
Energy: 1.5024232735291392
Energy: 1.5653936563105755
Energy: 1.5398597507355443
Energy: 1.5022085577817694
Energy: 1.5718879109831032
Energy: 1.506209893078332
Energy: 1.6543976510131455
Energy: 1.7305097897947601
Energy: 1.4588763531530038
Energy: 1.7829729361797735
Energy: 1.7295925720298022
Energy: 1.4622812509917618
Energy: 1.6112785693165474
Energy: 1.56714356952925
Energy: 1.5405919876883882
Energy: 1.5203047418444946
Energy: 1.5668457755915295
Energy: 1.5423832205642904
Energy: 1.60585398331293
Energy: 1.5213654330003605
Energy: 1.5182957789085647
Energy: 1.5588116512200987
Energy: 1.5577671833169795
Energy: 1.5623711556437203
Energy: 1.7579986966892605
Energy: 1.5289291607338902
Energy: 1.5447509294067272
Energy: 1.6062578223049313
Energy: 1.5332762183034603
Energy: 1.4330569069064243
Energy: 1.6620610419183655
Energy: 1.5659705908105512
Energy: 1.5725966106927936
Energy: 1.484739507905593
Energy: 1.6168678032450243
Energy: 1.4873583516298934
Energy: 1.6614099669485491
Energy: 1.451287554487323
Energy: 1.589666102156106
Energy: 1.486535586225788
Energy: 1.4471544966701937
Energy: 1.4070148881706548
Energy: 1.8240126345776968
Energy: 1.4226017717931791
Energy: 1.4249734362278157
Energy: 1.6008818788390462
Energy: 1.4238139816333701
Energy: 1.4228275626278102
Energy: 1.9588004645060995
Energy: 1.422856919142651
Energy: 1.3896178139019737
Energy: 1.3624517573126602
Energy: 1.4908704506786037
Energy: 1.350230974905405
Energy: 1.558608286911604
Energy: 1.3955092112036962
Energy: 1.39559953964649
Energy: 1.4646844152741179
Energy: 1.3957234775697682
Energy: 1.3512266673566538
Energy: 1.7911071764673872
Energy: 1.3874372951760117
Energy: 1.5409743676860503
Energy: 1.5827373890473289
Energy: 1.3874625921633628
Energy: 1.371290470596247
Energy: 2.0135738133912593
Energy: 1.535441676334738
Energy: 1.6904139512724778
Energy: 1.7300174098444423
Energy: 1.571344305351841
Energy: 1.730544741680747
Energy: 1.7756334108446752
Energy: 1.5191970214149242
Energy: 1.5194209239607197
Energy: 1.5834522881598234
Energy: 1.5203306310915614
Energy: 1.5500602052810708
Energy: 1.9141943039304339
Energy: 1.5615868666098558
Energy: 1.5638354220017978
Energy: 1.5677904239469622
Energy: 1.574917553118318
Energy: 1.5125284675699762
Energy: 1.8977432022815512
Energy: 1.602108416150573
Energy: 1.5330598553795143
Energy: 1.5326535139778044
Energy: 1.5523923705061342
Energy: 1.5370800017023474
Energy: 1.8230856738893104
Energy: 1.4843801093489697
Energy: 1.4883067563066938
Energy: 1.5686481490846875
Energy: 1.4850110569143289
Energy: 1.576627672266036
Energy: 1.6027564037562827
Energy: 1.4846473650431846
Energy: 1.4859043558920255
Energy: 1.5507498702739146
Energy: 1.484588873977703
Energy: 1.5519539532975106
Energy: 1.6024120218217428
Energy: 1.5655375133041105
Energy: 1.551008203953252
Energy: 1.5482763744669361
Energy: 1.5674163006860056
Energy: 1.5493854573353458
Energy: 1.6445963107236452
Energy: 1.2874744277810468
Energy: 1.2865894999757297
Energy: 1.5342514189696896
Energy: 1.2845623698204442
Energy: 1.285640598276518
Energy: 1.5208453597300147
Energy: 1.3501135923562921
Energy: 1.3218898748618715
Energy: 1.5257397009539684
Energy: 1.3508905838915202
Energy: 1.5283648041814548
Energy: 1.5022666877657094
Energy: 1.5664870226352925
Energy: 1.5383707314334512
Energy: 1.5028486973182222
Energy: 1.5670718146800098
Energy: 1.508028567768372
Energy: 1.5009759591106386
Energy: 1.7317777116805608
Energy: 1.7307401303900438
Energy: 1.5020921575440405
Energy: 1.7294789966852984
Energy: 1.4590311887327108
Energy: 1.5866187249249195
Energy: 1.5668606522901825
Energy: 1.541928039886111
Energy: 1.5165560485155531
Energy: 1.5764191064815385
Energy: 1.5413087153412266
Energy: 1.599324435347903
Energy: 1.5594453256895278
Energy: 1.558389822603411
Energy: 1.5663341330245197
Energy: 1.5566911111564936
Energy: 1.5574751395169792
Energy: 1.586622602504243
Energy: 1.588744558976062
Energy: 1.4254335908071796
Energy: 1.4471402194470178
Energy: 1.4268207914301472
Energy: 1.585406840489336
Energy: 1.6612349656087828
Energy: 1.5723612707103796
Energy: 1.5698121870587358
Energy: 1.4961441587276048
Energy: 1.5692243276967834
Energy: 1.5719242185938394
Energy: 1.662129102441782
Energy: 1.4465362829292918
Energy: 1.408059874113284
Energy: 1.5196580049610553
Energy: 1.448892905904555
Energy: 1.4873038219963648
Energy: 1.9894110386796129
Energy: 1.4223772544205089
Energy: 1.4250221372670393
Energy: 1.414523682618031
Energy: 1.4235616409693446
Energy: 1.581401201659619
Energy: 2.0949836285917334
Energy: 1.365403467015604
Energy: 1.2998502495554893
Energy: 1.2808373764595238
Energy: 1.4090305211276657
Energy: 1.3940017299858258

minimum gb energy = 1.2808373764595238 eV
minimum distance =  2.25145418508591 Angstroms
sigma value = 51


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

Energy: 2.114545744977616
Energy: 1.5602579622363382
Energy: 2.211493972056646
Energy: 1.7751091618899613
Energy: 1.4076934011858568
Energy: 1.774778885948942
Energy: 1.7277824537200694
Energy: 1.4216100243540521
Energy: 1.4154561040219305
Energy: 1.394710945399707
Energy: 1.4074704536765181
Energy: 1.4164516935946743
Energy: 1.905744620689144
Energy: 1.404435897035208
Energy: 1.403423027931825
Energy: 1.4343457336227627
Energy: 1.404302574184428
Energy: 1.3488664091308256
Energy: 1.8215929749482629
Energy: 1.4031690359670728
Energy: 1.3536207868303203
Energy: 1.3800704276246387
Energy: 1.5396258992758372
Energy: 1.378148225512619
Energy: 1.7736788523732423
Energy: 1.4829875895470062
Energy: 1.4841566529264825
Energy: 1.3412409206389853
Energy: 1.4835518655228779
Energy: 1.4319515354369403
Energy: 1.6120798681454744
Energy: 1.4333212798053974
Energy: 1.4320252774583715
Energy: 1.4305978346279766
Energy: 1.468097533565309
Energy: 1.430723675664726
Energy: 1.6123204627364642
Energy: 1.4024179456667862
Energy: 1.4319390237417033
Energy: 1.432697532225718
Energy: 1.4330036933735526
Energy: 1.4312855550065005
Energy: 1.6227441854912308
Energy: 1.298550998454785
Energy: 1.2943049929211992
Energy: 1.518724786860748
Energy: 1.2991440471032083
Energy: 1.297992516136453
Energy: 1.403700614873983
Energy: 1.2966134628213737
Energy: 1.296736801828858
Energy: 1.4037746243814135
Energy: 1.2944857653475441
Energy: 1.4009377672193717
Energy: 1.4012671963217531
Energy: 1.361935422862458
Energy: 1.4158150018693239
Energy: 1.4012698869142883
Energy: 1.3558008258663112
Energy: 1.4160112160050993
Energy: 1.4001040192031466
Energy: 1.5179108577900453
Energy: 1.5180411189403629
Energy: 1.405395898456901
Energy: 1.4021455728098762
Energy: 1.501993263112928
Energy: 1.4645975544421934
Energy: 1.3612273740258447
Energy: 1.415753619297188
Energy: 1.415691853167944
Energy: 1.338797460438377
Energy: 1.415928362668628
Energy: 1.4426211002378972
Energy: 1.3354204698809573
Energy: 1.3322339307600668
Energy: 1.4276366239514833
Energy: 1.4193513205125827
Energy: 1.4286753072453673
Energy: 1.443963927212516
Energy: 1.6783836411139357
Energy: 1.6778801053329846
Energy: 1.433737572951726
Energy: 1.6785349124571003
Energy: 1.4864680702679962
Energy: 1.7280251111795275
Energy: 1.388079440069123
Energy: 1.3760084539046784
Energy: 1.380270454929383
Energy: 1.400910301393063
Energy: 1.3751102099840347
Energy: 1.7399321630520475
Energy: 1.434435610995744
Energy: 1.4336575060400092
Energy: 1.568935243764154
Energy: 1.433505949276433
Energy: 1.4517659916079317
Energy: 1.7521207733348503
Energy: 1.4343760511923953
Energy: 1.4342602852188229
Energy: 1.4818481371071894
Energy: 1.4346805513573142
Energy: 1.4512088353811217
Energy: 1.94037790920795
Energy: 1.4157204167552975
Energy: 1.392950985248087
Energy: 1.2902338746874793
Energy: 1.4207036409906741
Energy: 1.399532987734331

minimum gb energy = 1.2902338746874793 eV
minimum distance =  2.32792617676847 Angstroms
sigma value = 19


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

Energy: 1.8551714260733156
Energy: 1.4949114753697377
Energy: 1.543323818211146
Energy: 1.5449121718551284
Energy: 1.6261409743186748
Energy: 1.620585625170976
Energy: 1.9039167079843702
Energy: 1.340869585664627
Energy: 1.3409585862650941
Energy: 1.2797437727800813
Energy: 1.3408061725878782
Energy: 1.3413468265963517
Energy: 2.000257882039983
Energy: 1.3941185649974432
Energy: 1.360071341701744
Energy: 1.336236016824684
Energy: 1.3408612961330588
Energy: 1.3943872612411277
Energy: 1.5565822279423405
Energy: 1.421029850693978
Energy: 1.4203719948999223
Energy: 1.4705188067990336
Energy: 1.4202869628115333
Energy: 1.373558674245259
Energy: 1.9971141523209919
Energy: 1.4281671532785247
Energy: 1.4226729027268337
Energy: 1.2689050579219376
Energy: 1.4204760723164205
Energy: 1.4295838536377
Energy: 1.6631739524503983
Energy: 1.3051085252234471
Energy: 1.4386521954341471
Energy: 1.4103268690743123
Energy: 1.3050040405185632
Energy: 1.4045251868320674
Energy: 1.6650841694714822
Energy: 1.459287541394113
Energy: 1.4079339545376008
Energy: 1.4089041559792888
Energy: 1.380464315604994
Energy: 1.401890580593514
Energy: 1.5661410083465652
Energy: 1.136797512369197
Energy: 1.139260812811246
Energy: 1.5701340283804301
Energy: 1.253712464705354
Energy: 1.168892234933273
Energy: 1.4089845573651338
Energy: 1.1396273789488665
Energy: 1.1507787841964678
Energy: 1.4092085045110598
Energy: 1.1383701024947457
Energy: 1.2227480378120523
Energy: 1.4087543743137183
Energy: 1.4084745305081698
Energy: 1.4100858844075712
Energy: 1.4088057285695683
Energy: 1.5591752686040465
Energy: 1.4109228402397345
Energy: 1.470303224042654
Energy: 1.4712459711700847
Energy: 1.4714737738681773
Energy: 1.4708887416598053
Energy: 1.471931714163797
Energy: 1.4545812052865592
Energy: 1.5682836661832527
Energy: 1.5187019220621267
Energy: 1.4633225920491881
Energy: 1.4295204646148152
Energy: 1.4294086747393882
Energy: 1.4317315254046399
Energy: 1.3046069430705802
Energy: 1.4105772916845458
Energy: 1.542802606622669
Energy: 1.3048191177160873
Energy: 1.412513694750549
Energy: 1.5423723286779691
Energy: 1.570064034954746
Energy: 1.5495194120456106
Energy: 1.5493696434991886
Energy: 1.4539246414385962
Energy: 1.5489328369728215
Energy: 1.5513311841701465
Energy: 1.8115156414274791
Energy: 1.4097490494815548
Energy: 1.4099628668306012
Energy: 1.1385362950517492
Energy: 1.4092025333848792
Energy: 1.2227620075212007
Energy: 1.7556120557888213
Energy: 1.458260850856199
Energy: 1.2529435181997999
Energy: 1.545948954099353
Energy: 1.406352786491813
Energy: 1.370997024360269
Energy: 1.9231990267754149
Energy: 1.4087259761785733
Energy: 1.4107720211310502
Energy: 1.44331821111883
Energy: 1.4093847529659354
Energy: 1.410744658521248
Energy: 1.5535167036375748
Energy: 1.4095782457502821
Energy: 1.4098506841485894
Energy: 1.470554902259847
Energy: 1.4094174570233535
Energy: 1.4095120813264057
Energy: 1.5535672409643024
Energy: 1.404080753597429
Energy: 1.4044217533863057
Energy: 1.4706565918142023
Energy: 1.4035213767478771
Energy: 1.5154884730568627
Energy: 1.6684135879454602
Energy: 1.3049495602689984
Energy: 1.4816502023144755
Energy: 1.4689198580317688
Energy: 1.3048354968708118
Energy: 1.5165019607768697
Energy: 1.6314469165918604
Energy: 1.4109911877883976
Energy: 1.465581762264246
Energy: 1.5483036895384295
Energy: 1.4418546949682602
Energy: 1.5574397821607289
Energy: 1.6658900600328097
Energy: 1.4593141650511559
Energy: 1.462638378549828
Energy: 1.4104157220073106
Energy: 1.4592931780305718
Energy: 1.410943981179653
Energy: 1.6608172358267843
Energy: 1.5446008137090697
Energy: 1.54437652928601
Energy: 1.5083420483922507
Energy: 1.545035868068724
Energy: 1.5442269873997765
Energy: 1.404707036809307
Energy: 1.358860416615415
Energy: 1.4095919329589162
Energy: 1.4084162183580626
Energy: 1.2656336153053176
Energy: 1.405104944305419
Energy: 1.404578203972464
Energy: 1.4867013136600873
Energy: 1.4093885182804706
Energy: 1.4081554424636495
Energy: 1.4378536090232177
Energy: 1.4046431380363957
Energy: 1.5788488788323474
Energy: 1.4719650092684242
Energy: 1.4715330345323128
Energy: 1.584960074785375
Energy: 1.4710336372330248
Energy: 1.2700520344647859
Energy: 1.6495726830862527
Energy: 1.536031311948794
Energy: 1.4702030334426268
Energy: 1.3065086755504238
Energy: 1.471393991509409
Energy: 1.4029814789837924
Energy: 1.3048055218926375
Energy: 1.4052683426151176
Energy: 1.3426195777948153
Energy: 1.3047794288336079
Energy: 1.3945391038308512
Energy: 1.4585890952369989
Energy: 1.650983033316854
Energy: 1.3434059255256219
Energy: 1.3411386817431996
Energy: 1.3041372013808215
Energy: 1.3441019996911099
Energy: 1.39735426202712
Energy: 1.8880208845547966
Energy: 1.3765590155263596
Energy: 1.1688376298579277
Energy: 1.1379574246511561
Energy: 1.5038264098905574
Energy: 1.2158493220205986

minimum gb energy = 1.136797512369197 eV
minimum distance =  2.34741610710615 Angstroms
sigma value = 27


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

Energy: 1.4863354851518604
Energy: 1.4723525614091038
Energy: 1.475316391361215
Energy: 1.3996290579686421
Energy: 2.049920694774636
Energy: 2.021146110394434
Energy: 1.3436404621530604
Energy: 1.2957655370829708
Energy: 1.2958981865579247
Energy: 1.248089400517755
Energy: 1.2957560116303508
Energy: 1.2955183933820404
Energy: 1.3475841987295045
Energy: 1.2870426753681654
Energy: 1.2848893245997848
Energy: 1.2771822501411423
Energy: 1.2861060665865294
Energy: 1.2846442520713215
Energy: 1.1983438737541403
Energy: 1.2284540389776186
Energy: 1.229828610610717
Energy: 1.2778825747577514
Energy: 1.598490639905805
Energy: 1.2282748171557343
Energy: 1.492090370612736
Energy: 1.3636659042402
Energy: 1.2491862638034967
Energy: 1.3821776448547554
Energy: 1.3631814506437112
Energy: 1.1367141909477807
Energy: 1.2849974193857467
Energy: 1.364769414013015
Energy: 1.3652121600331217
Energy: 1.2849398388242552
Energy: 1.4030970866835062
Energy: 1.1412321677739137
Energy: 1.285905432562439
Energy: 1.1937347262167923
Energy: 1.1937065550893158
Energy: 1.2865290189065872
Energy: 1.2480131793855376
Energy: 1.2866942302547444
Energy: 1.3609846497659226
Energy: 1.2240822139675516
Energy: 1.2249057393615805
Energy: 1.3610934901972207
Energy: 1.2227428617366087
Energy: 1.2829870925719582
Energy: 1.3484900076338833
Energy: 1.2247185212732625
Energy: 1.2617269574557393
Energy: 1.3565211441382183
Energy: 1.272260220286666
Energy: 1.2615171312965383
Energy: 1.3492584445623708
Energy: 1.2560614759842863
Energy: 1.2013066369201901
Energy: 1.2999297405859231
Energy: 1.3010916634146257
Energy: 1.301054979498689
Energy: 1.3472473196896113
Energy: 1.3092141753672675
Energy: 1.311137992641334
Energy: 1.3006842474228417
Energy: 1.3082819521739433
Energy: 1.3108398990800632
Energy: 1.3471192017864162
Energy: 1.2851074473519137
Energy: 1.2851963236800186
Energy: 1.2481224565733626
Energy: 1.2849262233681484
Energy: 1.2854344416214345

minimum gb energy = 1.1367141909477807 eV
minimum distance =  2.3189538262148 Angstroms
sigma value = 9


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

Energy: 2.2812482674160255
Energy: 1.3426249915462134
Energy: 1.338343632207538
Energy: 1.596952509147705
Energy: 1.4787269056087928
Energy: 1.4840974668392477
Energy: 1.3286120659826923
Energy: 1.1261444839585046
Energy: 1.1266490087788021
Energy: 1.092646791501989
Energy: 1.1265631174608288
Energy: 1.1266309317154681
Energy: 1.1363017749818118
Energy: 1.106969380101752
Energy: 1.10741556652788
Energy: 1.0926865416853322
Energy: 1.1065368709780878
Energy: 1.1075416470473909
Energy: 1.485293308715081
Energy: 1.0698570089432986
Energy: 1.1865397968456814
Energy: 1.0686276635274725
Energy: 1.2954714219982597
Energy: 1.3082775074538229
Energy: 1.3141168682343847
Energy: 1.1611951798077906
Energy: 1.3359999662723843
Energy: 1.1574889667600061
Energy: 1.201993725601431
Energy: 1.2466951118281864
Energy: 1.1739115005293035
Energy: 1.4292397780437003
Energy: 1.2497521933584843
Energy: 1.1742795973303919
Energy: 1.4225691341197528
Energy: 1.1204412278556752
Energy: 1.171507638325553
Energy: 1.0950400410215941
Energy: 1.2136578854461149
Energy: 1.1719951454070152
Energy: 1.116584099332332
Energy: 1.1724213176007205
Energy: 1.1627059682132803
Energy: 1.2951522082629905
Energy: 1.1645750450987682
Energy: 1.1634192215243913
Energy: 1.2905871335327619
Energy: 1.159809256810988
Energy: 1.1079158373362008
Energy: 1.1418904348848469
Energy: 1.2307633806432519
Energy: 1.099140986277563
Energy: 1.183042855898597
Energy: 1.1382832713406805
Energy: 1.7488792280137138
Energy: 1.1975907908224919
Energy: 1.1649504706341234
Energy: 0.9752942609093286
Energy: 1.271332324730842
Energy: 1.1551800354223793
Energy: 1.0532591513913834
Energy: 1.1589967896483249
Energy: 1.159088295184734
Energy: 0.9753871870097873
Energy: 1.1587634357738914
Energy: 1.1588619211491227
Energy: 1.1087371136187163
Energy: 1.176201853481309
Energy: 1.1765734407370256
Energy: 1.1165872006267263
Energy: 1.1756181780099604
Energy: 1.1750605867449146
Energy: 2.0103382012507707
Energy: 1.1449250367285233
Energy: 1.469264668681211
Energy: 1.3159558873029529
Energy: 1.1419236483724071
Energy: 1.4685220311141274
Energy: 1.228415642476549
Energy: 1.1714875863371637
Energy: 1.1333520656526703
Energy: 1.116549200235775
Energy: 1.1718721591768146
Energy: 1.1082156985681668
Energy: 1.107413249459574
Energy: 1.1751737881093431
Energy: 1.1814127654426347
Energy: 1.1070128783342363
Energy: 1.174446080048022
Energy: 1.3672904612251044
Energy: 1.12698908135535
Energy: 1.1401047840858285
Energy: 1.1507387472890884
Energy: 1.1281081998426257
Energy: 1.1257757593121132
Energy: 1.126448329601431
Energy: 1.1258902865962872
Energy: 1.2740786128459327
Energy: 1.1754992205143588
Energy: 1.1260150717430735
Energy: 1.1430010048615808
Energy: 1.1267332504313337
Energy: 1.1366402164326956
Energy: 1.1266210409259236
Energy: 1.175025908161058
Energy: 1.138186255046157
Energy: 1.1623494754956867
Energy: 1.1740083918197481
Energy: 1.1357207441710107
Energy: 1.126925356097215
Energy: 1.1102169805634574
Energy: 1.1076603197178643
Energy: 1.1245796221696953
Energy: 1.1619261383605612
Energy: 1.136128730660295
Energy: 1.1063665235813291
Energy: 1.1070978262091837
Energy: 1.1060596186073521
Energy: 1.1058401793081356
Energy: 1.1357885022373815
Energy: 1.1361683104257956
Energy: 1.1080643561871473
Energy: 1.1078762521734664
Energy: 1.1082111135830652
Energy: 1.1079127654573784
Energy: 1.1281046932287488
Energy: 1.1989004770549272
Energy: 1.1251403715745534
Energy: 1.1842321134521439
Energy: 1.201493884330161
Energy: 1.1383066570628206
Energy: 1.0813786414001005
Energy: 1.1916620835963974
Energy: 1.126145338158391
Energy: 1.1264399206792863
Energy: 1.2089384818947806
Energy: 1.1259136487112738
Energy: 1.256442219396218
Energy: 1.1361396081206991
Energy: 1.1069177571779063
Energy: 1.1071767346566108
Energy: 1.124144306111607
Energy: 1.1070260823786047
Energy: 1.1078470256656525
Energy: 1.4762023049341637
Energy: 1.106635350101263
Energy: 1.3116679473330437
Energy: 1.3556509902853846
Energy: 1.1141477362464713
Energy: 1.35196667103234
Energy: 1.407067631497607
Energy: 1.0962890117188402
Energy: 1.0863769907960563
Energy: 1.133966616621293
Energy: 1.0897066162684048
Energy: 1.1741509838261022
Energy: 1.2976804256610501
Energy: 1.5199729841069953
Energy: 1.5185856703472957
Energy: 1.2976886616654013
Energy: 1.519048127222374
Energy: 1.2822897249738143
Energy: 1.177134772889468
Energy: 1.1995882600217582
Energy: 1.1617283233220745
Energy: 1.1754858796922967
Energy: 1.0966173454665817
Energy: 1.1747894691156795
Energy: 1.1596835789069921
Energy: 1.206894808260094
Energy: 1.1971402034867678
Energy: 1.159582311766113
Energy: 1.1419081458777245
Energy: 1.1602831184313813
Energy: 1.2713208127007236
Energy: 1.2946474307051183
Energy: 1.2309296772598426
Energy: 1.2715684954622626
Energy: 1.2905562476881212
Energy: 1.1649662493708057
Energy: 1.0525470372236967
Energy: 1.1654277182699493
Energy: 1.1647126261475185
Energy: 1.081727193021663
Energy: 1.1971040089802474
Energy: 1.2589423103109845
Energy: 1.7489313312845953
Energy: 1.1592188595928223
Energy: 1.158031815290202
Energy: 1.025838415422449
Energy: 1.1584779738803974
Energy: 1.1547260095405805
Energy: 1.1265049171070527
Energy: 1.1712168923673745
Energy: 1.1713752503652382
Energy: 1.1160652884743414
Energy: 1.1710764434335492
Energy: 1.1710359340872083
Energy: 1.4728623359293285
Energy: 1.1755485278777058
Energy: 1.175589960885686
Energy: 1.1033400865499443
Energy: 1.1756997840217058
Energy: 1.1283069086855655
Energy: 1.1235917845874863
Energy: 1.1758513722010941
Energy: 1.175678723606433
Energy: 1.1039331688445035
Energy: 1.1758756172782425
Energy: 1.3377863406016766
Energy: 1.29525519312653
Energy: 1.1480057324015853
Energy: 1.093632517368336
Energy: 1.2954201259179468
Energy: 1.1489634210019413
Energy: 1.1890526839612185
Energy: 1.129826876211804
Energy: 1.0935706439275223
Energy: 1.1049559157209021
Energy: 1.1305176340268264
Energy: 1.121706029522724
Energy: 1.1074095839950011
Energy: 1.1251081490809551
Energy: 1.1238214835374065
Energy: 1.0790752636265746
Energy: 1.1253235860404323
Energy: 1.113362899110235
Energy: 1.1259678750524316
Energy: 1.5309838621123915
Energy: 1.4863230607878797
Energy: 1.486534623906632
Energy: 1.53096989355184
Energy: 1.4859996320343958
Energy: 1.133482830739034
Energy: 1.134973860975537
Energy: 1.1243683065089545
Energy: 1.07909436518701
Energy: 1.1250287584917071
Energy: 1.1048690580112985
Energy: 1.157017368033899
Energy: 1.1349528525719736
Energy: 1.1086371921534048
Energy: 1.0797132334221713
Energy: 1.1157553714691884
Energy: 1.1082253209647228
Energy: 1.1182293223950814
Energy: 1.1361050730246276
Energy: 1.1070011812270126
Energy: 1.1068067355655067
Energy: 1.1079096145181455
Energy: 1.106564648904939
Energy: 1.134985899659956
Energy: 1.1914725024979325
Energy: 1.1259858983935551
Energy: 1.1263833839074207
Energy: 1.2067223947040044
Energy: 1.125878094393384
Energy: 1.256705982644958

minimum gb energy = 0.9752942609093286 eV
minimum distance =  2.25859316069926 Angstroms
sigma value = 57


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

Energy: 0.673627839458698
Energy: 0.6645242694264373
Energy: 0.6451546773530682
Energy: 0.5295206574408018
Energy: 0.951138208819571
Energy: 0.6751637444490739
Energy: 0.6745610403736666
Energy: 0.8511569580773942
Energy: 0.8533498348716365
Energy: 0.8162281697552105
Energy: 0.8219193631948498
Energy: 0.8693753205750167
Energy: 0.9151566196545587
Energy: 0.86161650635043
Energy: 0.8608451709494631
Energy: 0.8717023824537842
Energy: 0.8610131913833922
Energy: 0.860314586840253
Energy: 0.9161668939484985
Energy: 0.8534617792065013
Energy: 0.8705433316046727
Energy: 0.8703296028656055
Energy: 0.8704184718462339
Energy: 0.8542113766182734
Energy: 0.9118844040664394
Energy: 0.5266633151650548
Energy: 0.5749062450109953
Energy: 0.935952683124596
Energy: 0.5263434264133919
Energy: 0.8958590735193297
Energy: 0.8636151442476001
Energy: 0.5263245762786415
Energy: 0.526714104261936
Energy: 0.9083343246029526
Energy: 0.5262271031938952
Energy: 0.5743830334745313
Energy: 0.8580565617015713
Energy: 0.8181483450915407
Energy: 0.8763037683201853
Energy: 0.8589468143204245
Energy: 0.857360724543975
Energy: 0.8934933236720036
Energy: 0.8641204090111054
Energy: 0.9391517270955632
Energy: 0.9384959319753635
Energy: 0.8638147982708108
Energy: 0.9392163105459272
Energy: 0.8640977431258839
Energy: 0.9267452679214809
Energy: 0.8973973554908586
Energy: 0.8601864343251332
Energy: 0.8579431737745311
Energy: 0.8614043826202443
Energy: 0.8592236098254514
Energy: 0.526057361531453
Energy: 0.8645831564897535
Energy: 0.5765535987399689
Energy: 0.5261656271882738
Energy: 0.8648238948740836
Energy: 0.5289106875417731
Energy: 0.5261800511474195
Energy: 0.82690213231533
Energy: 0.8280235657264224
Energy: 0.5263158802709148
Energy: 0.8264060950226054
Energy: 0.5747959545273864
Energy: 0.9301104513553728
Energy: 0.8625118436294099
Energy: 0.8981558294579002
Energy: 0.9454559433156488
Energy: 0.8617678519607469
Energy: 0.8983130297459617
Energy: 0.9293006511582005
Energy: 0.9367027631112088
Energy: 0.9364866066298794
Energy: 0.9374574836356666
Energy: 0.9315735783888088
Energy: 0.9372198082606877
Energy: 0.9260634619987793
Energy: 0.857031771815616
Energy: 0.8577025825525174
Energy: 0.9282870384041042
Energy: 0.8573243318149524
Energy: 0.8594529713254915
Energy: 0.9047258525244898
Energy: 0.5259640012838092
Energy: 0.5261477123883849
Energy: 0.8457034302705578
Energy: 0.5263029078726094
Energy: 0.5270340916898908
Energy: 0.8478015129389007
Energy: 0.871122858257364
Energy: 0.8996067765665308
Energy: 0.8698204617782341
Energy: 0.5263601057356211
Energy: 0.8451067642808471
Energy: 0.8488891411085582
Energy: 0.8150561867406847
Energy: 0.9026622174743053
Energy: 0.8711542681054881
Energy: 0.8611996316147604
Energy: 0.8496257006059709
Energy: 0.9490924448779402
Energy: 0.9324195895422925
Energy: 0.9298282256293002
Energy: 0.9393078110171849
Energy: 0.8605781039187358
Energy: 0.8545636573754494
Energy: 0.6745207107444602
Energy: 0.9920403949190836
Energy: 0.9571946956330114
Energy: 0.5263333924855048
Energy: 1.003813446916078
Energy: 0.8592078691007704

minimum gb energy = 0.5259640012838092 eV
minimum distance =  2.36471127923628 Angstroms
sigma value = 11


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

Energy: 1.8431669581736478
Energy: 1.8859226838555618
Energy: 1.263532513356607
Energy: 1.6381400093626166
Energy: 1.3161696484483971
Energy: 1.2625520401741184
Energy: 0.9559661650305318
Energy: 0.9240010947949795
Energy: 0.9783336363767707
Energy: 0.9852469681413134
Energy: 0.9238950048715133
Energy: 1.0208384962648636
Energy: 0.9247757735105195
Energy: 0.9254532844245122
Energy: 0.9544110313837139
Energy: 0.9262549161601225
Energy: 0.9260200316584666
Energy: 0.9545723036789929
Energy: 0.924746955396136
Energy: 1.0056194128536975
Energy: 1.0582521758100005
Energy: 0.9258967733253749
Energy: 0.9274214713681433
Energy: 0.9528847056059659
Energy: 0.9260972747601808
Energy: 1.0726300966834825
Energy: 1.0239179599122976
Energy: 0.9259633846731516
Energy: 1.1484239578251652
Energy: 0.9805305878646609
Energy: 1.2423398339486955
Energy: 1.3254989303127023
Energy: 1.326356186720313
Energy: 1.2434565333963878
Energy: 1.3254161978276278
Energy: 1.0127125800852272
Energy: 1.0026117241270354
Energy: 0.9682500035143227
Energy: 1.039432243558195
Energy: 0.9248159257564338
Energy: 1.011162096980213
Energy: 1.0087819693868245
Energy: 0.9557413689880455
Energy: 1.0176741657177348
Energy: 1.0187187863911937
Energy: 0.9564034995578964
Energy: 1.0171943482289691
Energy: 1.192733456131033
Energy: 1.2407385986982618
Energy: 1.0100591368021874
Energy: 0.9545534406512081
Energy: 0.9563007588141094
Energy: 1.0099704297919216
Energy: 0.9466453506419201
Energy: 1.5875501934487124
Energy: 1.0141332901842544
Energy: 1.0147589780574733
Energy: 1.4896736778215454
Energy: 1.01455158462423
Energy: 1.146133377762699
Energy: 1.3107723511600968
Energy: 1.0098239374166451
Energy: 1.0367478816122853
Energy: 1.1468843317188295
Energy: 1.2364920601174705
Energy: 1.0365889229224512
Energy: 1.2415181239102437
Energy: 0.8897613881700301
Energy: 1.005354760716103
Energy: 1.241023750438585
Energy: 0.8934270348330353
Energy: 0.9846856572636513
Energy: 1.1534739700926149
Energy: 0.891169554836129
Energy: 1.0407796651716463
Energy: 1.1538586189594164
Energy: 0.8936313253999655
Energy: 1.153632210448408
Energy: 1.1500596453614973
Energy: 0.9840303373051322
Energy: 1.1049097710413704
Energy: 1.148195925657344
Energy: 1.0823021347772928
Energy: 1.090392962203144
Energy: 1.1481374730263456
Energy: 1.4810025987890771
Energy: 1.4845250440914146
Energy: 1.1483362420331984
Energy: 1.4721742462502319
Energy: 1.1476968311927278
Energy: 1.58093869771981
Energy: 1.0605538134612498
Energy: 1.0041710941085695
Energy: 1.403934145739261
Energy: 1.1485220910433982
Energy: 1.1230133591124478
Energy: 1.3685620521730406
Energy: 1.4871423552435319
Energy: 1.32993471932481
Energy: 1.3354075057135046
Energy: 1.603748303234671
Energy: 1.1632069345926517
Energy: 1.6328670643537608
Energy: 1.1469599169340448
Energy: 1.1441268667881925
Energy: 1.130062057270684
Energy: 1.1469640550430285
Energy: 1.0511130343284123
Energy: 1.3410322068750729
Energy: 1.0628416826054812
Energy: 1.0625234308755134
Energy: 1.0112851972292571
Energy: 1.1490651598646868
Energy: 1.0345841736443286
Energy: 1.1617307080180754
Energy: 1.3581412684519287
Energy: 1.1779552140173761
Energy: 1.158218109462943
Energy: 1.339630131699402
Energy: 1.2633736429842712
Energy: 1.5803682724946746
Energy: 1.1359476034953984
Energy: 1.0035866860341458
Energy: 1.1680715157300123
Energy: 1.1644980974876675
Energy: 1.036337570605263
Energy: 1.0137844707520123
Energy: 1.4141576072642654
Energy: 1.4153080640766789
Energy: 1.0138706567211415
Energy: 1.3385740930399803
Energy: 1.2039089485797103
Energy: 1.0130437062831772
Energy: 0.9503961733821743
Energy: 1.0240847420380261
Energy: 1.012928616594824
Energy: 0.9943009890992262
Energy: 1.0261044374667991
Energy: 1.0156816794770376
Energy: 0.9559801142932763
Energy: 1.0115494678386934
Energy: 1.0180720710809428
Energy: 0.9279079260721214
Energy: 1.0120196887183448
Energy: 0.9248310299161894
Energy: 0.9247934498114528
Energy: 0.9253107978236171
Energy: 0.9262920959630014
Energy: 0.9260628283637203
Energy: 1.0445847956619736
Energy: 1.5299912925761243
Energy: 0.9526865909978396
Energy: 0.9796196104233326
Energy: 1.1665718041877775
Energy: 0.9274900444152623
Energy: 0.9488292648991659

minimum gb energy = 0.8897613881700301 eV
minimum distance =  2.32727061585653 Angstroms
sigma value = 41


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

Energy: 1.789902347050397
Energy: 1.0671305104215447
Energy: 1.0672783376509711
Energy: 1.425397847833095
Energy: 1.1145689461474415
Energy: 1.3667668995624238
Energy: 1.0724000324036216
Energy: 1.0224361793858714
Energy: 1.0890366591690894
Energy: 1.0476397761319978
Energy: 1.0222836975260512
Energy: 1.0560590299018051
Energy: 1.025151734382846
Energy: 1.0256970747110734
Energy: 1.0260356954011
Energy: 1.0249901002064545
Energy: 1.0245683444859055
Energy: 1.0825163978543437
Energy: 1.0243431834359547
Energy: 1.1039579819618266
Energy: 1.103197671688578
Energy: 1.0240406898531993
Energy: 1.0230337007083035
Energy: 1.066204596095655
Energy: 1.0230624355044997
Energy: 1.1530399024131444
Energy: 1.1092051623886705
Energy: 1.0229784945530194
Energy: 1.1163594444776128
Energy: 1.08220658292403
Energy: 1.445856623009173
Energy: 1.2058161996757142
Energy: 1.1663509213153265
Energy: 1.4445063231038797
Energy: 1.2056679296797033
Energy: 1.1669306511371396
Energy: 1.1472779117079643
Energy: 1.025266492842676
Energy: 1.02352602240949
Energy: 1.0228703228526954
Energy: 1.0675458096806072
Energy: 1.126418288368756
Energy: 1.0729738122468642
Energy: 1.1900781420393762
Energy: 1.1902422819539782
Energy: 1.0735007678197126
Energy: 1.1900197639500991
Energy: 1.104774290534704
Energy: 1.440956644520085
Energy: 1.1331539482128978
Energy: 1.0766418952832848
Energy: 1.0593377593311224
Energy: 1.1174759911221641
Energy: 1.0560970970749546
Energy: 1.3932895578051985
Energy: 1.166658427516114
Energy: 1.1668727958147647
Energy: 1.299566846702839
Energy: 1.1665589209571703
Energy: 1.024854535353601
Energy: 1.4586699927790303
Energy: 1.0244357341195587
Energy: 1.0571477136643825
Energy: 1.0223712041109005
Energy: 1.0486744078867831
Energy: 1.1162012438856188
Energy: 1.6262218161372315
Energy: 1.0067319167672237
Energy: 1.1222442547995866
Energy: 1.4427775168387205
Energy: 0.9691183828474834
Energy: 1.0627913918500955
Energy: 1.1668443216240176
Energy: 0.9700646044551425
Energy: 1.3413169161237954
Energy: 1.1668764672455603
Energy: 0.9697788962923357
Energy: 1.3414183602924872
Energy: 1.117577622315258
Energy: 1.1021890501852307
Energy: 1.0550884169971053
Energy: 1.1178102761946715
Energy: 1.083072317866578
Energy: 1.0898606501805288
Energy: 1.1763380640654646
Energy: 1.2976196311156674
Energy: 1.295704161914641
Energy: 1.1768493034781344
Energy: 1.3046268556016054
Energy: 1.176426643954794
Energy: 1.0224239224535223
Energy: 1.0239644780960364
Energy: 1.1260163869202358
Energy: 1.0864244943096906
Energy: 1.0226489214680565
Energy: 1.023645461624072
Energy: 1.7127763838914438
Energy: 1.5535820285553592
Energy: 0.9701805813616967
Energy: 1.409326102484066
Energy: 1.5153595125994008
Energy: 1.3756828798021337
Energy: 1.0718058848826326
Energy: 1.023119968274917
Energy: 1.0899132540258898
Energy: 1.2612152242476649
Energy: 1.0229622746293776
Energy: 1.0481932970689516
Energy: 1.0234715926529219
Energy: 1.0254350619769803
Energy: 1.0260265687489283
Energy: 1.0232955164877677
Energy: 1.0241652864900181
Energy: 1.0941033588189628
Energy: 1.0252026695830434
Energy: 1.0941431702600597
Energy: 1.0218890996367518
Energy: 1.0254281903118012
Energy: 1.0237630166904215
Energy: 1.0253736266279185
Energy: 1.0223659547262016
Energy: 1.0750825733175375
Energy: 1.0581558151016142
Energy: 1.0223100036040844
Energy: 1.1339836371898984
Energy: 1.126225162129608
Energy: 1.70632823389407
Energy: 1.206008838167868
Energy: 1.205714489402271
Energy: 1.7059002550705378
Energy: 1.6733186472469959
Energy: 1.2052539124499637
Energy: 1.439431737167932
Energy: 1.0751571093406318
Energy: 1.058195469404314
Energy: 1.0222664372379489
Energy: 1.1576342377733566
Energy: 1.1262839380518022
Energy: 1.0726981055852063
Energy: 1.203018038802887
Energy: 1.1964388274417614
Energy: 1.0732204355016752
Energy: 1.1767380463689086
Energy: 1.1828954310708735
Energy: 1.4415064969927052
Energy: 1.0246297116373382
Energy: 1.056615415134314
Energy: 1.0228607336972975
Energy: 1.1187230991737054
Energy: 1.0556364052762999
Energy: 1.4583804344954092
Energy: 1.0241896333132992
Energy: 1.0249730295574713
Energy: 1.0223084341743989
Energy: 1.1665854580582693
Energy: 1.1160961856443563
Energy: 1.3934621286887234
Energy: 1.1667185633037809
Energy: 1.0240945001812471
Energy: 1.2999854914496576
Energy: 1.4409719100319405
Energy: 1.0571668947816208
Energy: 1.4413424316684607
Energy: 1.0073653387886363
Energy: 1.1156999532003211
Energy: 1.025638926910432
Energy: 0.968578768434332
Energy: 1.055819139921358
Energy: 1.1667697322581052
Energy: 1.4206745363837867
Energy: 1.3795874527137473
Energy: 1.1666849658351774
Energy: 1.418445105568357
Energy: 1.379178572176606
Energy: 1.1167448064290644
Energy: 1.0553006459383794
Energy: 1.1494996043384567
Energy: 1.1170446007681585
Energy: 1.0563995528932904
Energy: 1.149193567428482
Energy: 1.188957891707504
Energy: 1.2737994943445192
Energy: 1.1610950844458114
Energy: 1.1894406698335813
Energy: 1.3064729022914825
Energy: 1.1604052623099426
Energy: 1.022689109184671
Energy: 1.026582287935753
Energy: 1.093010427357947
Energy: 1.0227115399661901
Energy: 1.023148961747385
Energy: 1.0669090031004795
Energy: 1.712720535111285
Energy: 1.049552634210296
Energy: 0.9697905302582575
Energy: 1.409512321650737
Energy: 1.4427695968098213
Energy: 1.0481549362098503

minimum gb energy = 0.968578768434332 eV
minimum distance =  2.31547264591551 Angstroms
sigma value = 33


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

Energy: 1.381250688607675
Energy: 1.120037575219373
Energy: 1.120427969831421
Energy: 1.384334079626339
Energy: 1.332228248335668
Energy: 1.1207931632903787
Energy: 1.2960163199631114
Energy: 1.1230666852554072
Energy: 1.0871039890225371
Energy: 1.088575331083975
Energy: 1.126074280291023
Energy: 1.0868416239072638
Energy: 1.130805599479066
Energy: 1.0909149778745322
Energy: 1.0917796314529467
Energy: 1.1309138480444416
Energy: 1.1792779578523365
Energy: 1.0946859529377717
Energy: 1.133647141535557
Energy: 1.1328587660131415
Energy: 1.0908764241724047
Energy: 1.1310641053906894
Energy: 1.1769754381568942
Energy: 1.0895083830487207
Energy: 1.1273778842845308
Energy: 1.0915664915789065
Energy: 1.0537117684547899
Energy: 1.1234930417504774
Energy: 1.1331994798340137
Energy: 1.1904822327572602
Energy: 1.2325554635334304
Energy: 1.0606070979103055
Energy: 1.0619683873818662
Energy: 1.231673702325025
Energy: 1.4921125885090993
Energy: 1.0603278854170488
Energy: 1.2945875835527472
Energy: 1.0537345748423532
Energy: 1.0916371466224617
Energy: 1.1279896753243643
Energy: 1.0906204929093515
Energy: 1.08897385454052
Energy: 1.1922743439152734
Energy: 1.1023864183330543
Energy: 1.128882437863819
Energy: 1.1999311794741325
Energy: 1.1037777473446482
Energy: 1.0917625425051483
Energy: 1.1973492628494036
Energy: 1.0511996844091798
Energy: 1.051085579481083
Energy: 1.205459526602213
Energy: 1.0538532444237971
Energy: 1.051274528779387
Energy: 1.2949793730301058
Energy: 1.0571421329598336
Energy: 1.0607430941060751
Energy: 1.1305449787539834
Energy: 1.0600877237931843
Energy: 1.0543978717710414
Energy: 1.2950949128941496
Energy: 1.1719417174160303
Energy: 1.0910275810574042
Energy: 1.1321317637712158
Energy: 1.1395405028100751
Energy: 1.0907450925506335
Energy: 1.1950349777795273
Energy: 1.052868248082112
Energy: 1.0517229415378784
Energy: 1.1946020272481062
Energy: 1.0572956996541392
Energy: 1.0525736863575232
Energy: 1.1262726973116357
Energy: 1.0530967686246153
Energy: 1.0515974784526927
Energy: 1.1260206569774243
Energy: 1.0566444347135695
Energy: 1.2147166892125156
Energy: 1.1284026708002681
Energy: 1.1699036837704568
Energy: 1.0897266344401144
Energy: 1.1299203542102312
Energy: 1.2119432334612505
Energy: 1.0885204890927724
Energy: 1.0530279410750372
Energy: 1.2114600783968408
Energy: 1.1286985444319555
Energy: 1.1309350799663287
Energy: 1.180311734291043
Energy: 1.0909677378681228
Energy: 1.1241719546770064
Energy: 1.1260241492559568
Energy: 1.1784476468345684
Energy: 1.1375108973869197
Energy: 1.1283576871561718
Energy: 1.0886605848462365
Energy: 1.6414649777538965
Energy: 1.160894185239772
Energy: 1.3802950015674982
Energy: 1.4908358738390153
Energy: 1.1640622008020214
Energy: 1.0553379345092082
Energy: 1.1973502693795466
Energy: 1.1253465999497683
Energy: 1.1868771681951868
Energy: 1.1304276217549631
Energy: 1.2070062764510034
Energy: 1.051375730921111
Energy: 1.1313678160826246
Energy: 1.0542645053129178
Energy: 1.05377519965772
Energy: 1.1325731934306058
Energy: 1.1999320940117995
Energy: 1.0882312454706853
Energy: 1.0547109078857047
Energy: 1.0514709244739477
Energy: 1.0513885146006592
Energy: 1.0543869481448402
Energy: 1.1998700524092594
Energy: 1.0936555346561376
Energy: 1.0535515055645301
Energy: 1.0893691150698357
Energy: 1.0517757819274955
Energy: 1.0543701647313437
Energy: 1.1792008925979547
Energy: 1.0532944716758001
Energy: 1.3496672733527064
Energy: 1.0630918268052372
Energy: 1.0618417546917462
Energy: 1.3498095982398888
Energy: 1.1662585305303559
Energy: 1.3804668702928062
Energy: 1.2224466567796466
Energy: 1.123401245565401
Energy: 1.0908660725061936
Energy: 1.0889086675973052
Energy: 1.1250814086862932
Energy: 1.0518600079608897
Energy: 1.2000985536737803
Energy: 1.8698478228523034
Energy: 1.3905399923665298
Energy: 1.0492917169665101
Energy: 1.8201465341604945
Energy: 1.0595765552029461
Energy: 1.2955841596031386
Energy: 1.1228957217173743
Energy: 1.088545718694423
Energy: 1.0547747999694654
Energy: 1.1239977322862325
Energy: 1.088717433564832
Energy: 1.1349225141585835
Energy: 1.1802947777954866
Energy: 1.0884309093640718
Energy: 1.130243262005574
Energy: 1.1309393468024382
Energy: 1.0940623582527298
Energy: 1.1307333833885416
Energy: 1.092573511118939
Energy: 1.12900761645967
Energy: 1.1305530576282488
Energy: 1.17944836173905
Energy: 1.089802821328556
Energy: 1.126228138234587
Energy: 1.0528138436969372
Energy: 1.0510449959271433
Energy: 1.1268913907628224
Energy: 1.131321404839273
Energy: 1.0874804811559486
Energy: 1.494244305042154
Energy: 1.0609724714424564
Energy: 1.061054489567344
Energy: 1.4941336924872701
Energy: 1.4908866205563283
Energy: 1.061862294698212
Energy: 1.1971406801760907
Energy: 1.0515754680290244
Energy: 1.0511583043583639
Energy: 1.1265139995922715
Energy: 1.090189663319919
Energy: 1.0899948141245621
Energy: 1.1933610430604369
Energy: 1.0907928334384815
Energy: 1.0704395461669227
Energy: 1.1988453828870138
Energy: 1.090777195724009
Energy: 1.0683511021643175
Energy: 1.199667540797619
Energy: 1.054087130892322
Energy: 1.0528562592073238
Energy: 1.126284934198887
Energy: 1.055684830565162
Energy: 1.0518483195277595
Energy: 1.2954040983147723
Energy: 1.1380209154965926
Energy: 1.1378372620928117
Energy: 1.1304268144559046
Energy: 1.1406805629493655
Energy: 1.0930432699456487
Energy: 1.2947226558264335
Energy: 1.0895556263989805
Energy: 1.091336946523512
Energy: 1.1359039496744012
Energy: 1.377283993623827
Energy: 1.0925527460825164
Energy: 1.1996083138623999
Energy: 1.052999852856978
Energy: 1.0520409391563372
Energy: 1.2008169998025031
Energy: 1.0563385681678368
Energy: 1.0513689587954047
Energy: 1.1326340142407731
Energy: 1.2138729255698661
Energy: 1.049391315978939
Energy: 1.133136403514775
Energy: 1.0491210536892446
Energy: 1.0492959636929717
Energy: 1.1248573024246686
Energy: 1.1709264546357272
Energy: 1.0901919685497081
Energy: 1.1259827637194906
Energy: 1.21154082113737
Energy: 1.0881855993007896
Energy: 1.078575882522929
Energy: 1.090923846153471
Energy: 1.0903118608153386
Energy: 1.0785761456423393
Energy: 1.1315653176555902
Energy: 1.090235992741008
Energy: 1.1250067773033248
Energy: 1.1770924775894465
Energy: 1.1780745656706682
Energy: 1.1383461532051768
Energy: 1.1299295744979214
Energy: 1.087440400489938
Energy: 1.6416602566440466
Energy: 1.124235498378441
Energy: 1.1604454500345716
Energy: 1.491752257264967
Energy: 1.1244697127942562
Energy: 1.0521826514499792
Energy: 1.1966133164682722
Energy: 1.2431692950131379
Energy: 1.1603578856720806
Energy: 1.1327205901717254
Energy: 1.2067096211588408
Energy: 1.0541588626347658
Energy: 1.1286828861922176
Energy: 1.2917334961742803
Energy: 1.0527189280245406
Energy: 1.143980751936388
Energy: 1.1993669879967912
Energy: 1.092326797210708
Energy: 1.0580197746074926
Energy: 1.0496002951100525
Energy: 1.0531929056484226
Energy: 1.138793347011929
Energy: 1.200168864332978
Energy: 1.0527109569217215
Energy: 1.0515695798187947
Energy: 1.0517700556440481
Energy: 1.0546072328760765
Energy: 1.0524036016010483
Energy: 1.173157265276926
Energy: 1.0508334143149323
Energy: 1.1754282777656748
Energy: 1.0638914815036098
Energy: 1.091114844923108
Energy: 1.1740894023260007
Energy: 1.162973367920737
Energy: 1.0963189767932713
Energy: 1.1236556140429252
Energy: 1.1789733024582265
Energy: 1.089324792840282
Energy: 1.0550861840789891
Energy: 1.1254247820288037
Energy: 1.0876674492531038
Energy: 1.388892152671377
Energy: 1.455617608693279
Energy: 1.0494277934296732
Energy: 1.0516501731546917
Energy: 1.4563859766962395
Energy: 1.13378197661619

minimum gb energy = 1.0491210536892446 eV
minimum distance =  2.30681218552237 Angstroms
sigma value = 67


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

Energy: 1.6058706435059191
Energy: 1.1097702532790878
Energy: 1.109664669377025
Energy: 1.609960956982312
Energy: 2.3179776771562737
Energy: 1.109610090816815
Energy: 1.3695735412235381
Energy: 1.1230324863610521
Energy: 1.1226543090350243
Energy: 1.231328233180429
Energy: 1.1994073818908322
Energy: 1.1141273835317111
Energy: 1.3585271204707339
Energy: 1.0727424442054017
Energy: 1.1273504334159734
Energy: 1.2332203830304593
Energy: 1.0726057879517306
Energy: 1.1273045938717272
Energy: 1.230293030240163
Energy: 1.1250445455533349
Energy: 1.1247494168238688
Energy: 1.2304258417967335
Energy: 1.141049291889302
Energy: 1.1247383079798134
Energy: 1.2099222668454632
Energy: 1.1426248680447761
Energy: 1.142721003679617
Energy: 1.2104672508715155
Energy: 1.1425508348696862
Energy: 1.1434647451507345
Energy: 1.2116706705034708
Energy: 1.089451200862049
Energy: 1.212313962983424
Energy: 1.2118669603861538
Energy: 1.3492647153062716
Energy: 1.2117546485561173
Energy: 1.364705691150723
Energy: 1.1419563122397733
Energy: 1.1387422724554805
Energy: 1.3647319338237
Energy: 1.2109487760803779
Energy: 1.1123859346924188

minimum gb energy = 1.0726057879517306 eV
minimum distance =  2.35654727930247 Angstroms
sigma value = 3


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

Energy: 2.113735931573641
Energy: 1.552349496454595
Energy: 1.3906014456086226
Energy: 1.6429927115384084
Energy: 1.6020328483433366
Energy: 1.4007756368643
Energy: 1.1840148271114834
Energy: 1.3588632545180699
Energy: 1.3054972794452364
Energy: 1.3028474908129248
Energy: 1.4492036933922885
Energy: 1.1938164127526647
Energy: 1.256602227853365
Energy: 1.185468833573917
Energy: 1.1845975957631842
Energy: 1.2568499221024005
Energy: 1.1853546861255182
Energy: 1.1931068377574534
Energy: 1.1996148878430948
Energy: 1.1932015254067327
Energy: 1.1929811207173562
Energy: 1.199767489410765
Energy: 1.1845022667067044
Energy: 1.192934289905026
Energy: 1.1916053712711614
Energy: 1.194645227878689
Energy: 1.1943187449344301
Energy: 1.19224183606276
Energy: 1.2611033912192016
Energy: 1.1932236308131683
Energy: 1.1922675665727145
Energy: 1.2612859664572273
Energy: 1.1951675838796016
Energy: 1.192679434227886
Energy: 1.2910352913833183
Energy: 1.1942806614568555
Energy: 1.1922869266211833
Energy: 1.4212716372565044
Energy: 1.2486049287192136
Energy: 1.2809953131322407
Energy: 1.4259648988867286
Energy: 1.2178211875268723
Energy: 1.9546090689981137
Energy: 1.6173416410452641
Energy: 1.3798305057680949
Energy: 1.9588488945662537
Energy: 1.6159735315919042
Energy: 1.396412679308647
Energy: 1.1948958838123833
Energy: 1.221442927531318
Energy: 1.298320964255326
Energy: 1.2551151323562615
Energy: 1.3580361749083194
Energy: 1.2151394856594315
Energy: 1.7852438402565267
Energy: 1.2259368036083733
Energy: 1.2258769495903328
Energy: 1.705922147033865
Energy: 1.226398111089122
Energy: 1.351991929438834
Energy: 1.3728183494090913
Energy: 1.2458756072261685
Energy: 1.246336759150135
Energy: 1.374339193562515
Energy: 1.3747188077473924
Energy: 1.2357157485926784
Energy: 1.3655090114564963
Energy: 1.2466359237290452
Energy: 1.1958539821246732
Energy: 1.342665278672732
Energy: 1.194793411298084
Energy: 1.1968300152250144
Energy: 1.3499151291468294
Energy: 1.1949529094539706
Energy: 1.1968353052840448
Energy: 1.3293986426504898
Energy: 1.1943817445833464
Energy: 1.1970880846785257
Energy: 1.3387563999792098
Energy: 1.194265319653393
Energy: 1.1943288791051523
Energy: 1.3408601685601462
Energy: 1.2013712340281009
Energy: 1.1948691657666977
Energy: 1.723898507592388
Energy: 1.1965324686172527
Energy: 1.1966779099555076
Energy: 1.291847465371293
Energy: 1.1961130026417988
Energy: 1.196942554299417
Energy: 1.4516663437625237
Energy: 1.19584040132339
Energy: 1.2587881620822319
Energy: 1.4539216924732725
Energy: 1.252995674120669
Energy: 1.25831123612851
Energy: 1.589193077223249
Energy: 1.2809816554933497
Energy: 1.2809597950291214
Energy: 1.5763706161300006
Energy: 1.2180210139675673
Energy: 1.4317560473269626
Energy: 1.383822898897885
Energy: 1.2659076959914692
Energy: 1.2668708261480408
Energy: 1.3837649290368526
Energy: 1.4088531137763434
Energy: 1.265678004690147
Energy: 1.537164324881528
Energy: 1.4373064153157058
Energy: 1.2390444224544648
Energy: 1.3804129106726024
Energy: 1.194520534824701
Energy: 1.193371442112172
Energy: 1.595036781015215
Energy: 1.2662694950220028
Energy: 1.2390685127267407
Energy: 1.3580673627703517
Energy: 1.267106607070766
Energy: 1.2260122592448142
Energy: 1.2739936710035376
Energy: 1.2629651281110028
Energy: 1.2656222196736164
Energy: 1.2786272472582652
Energy: 1.278943114947676
Energy: 1.270451484019493
Energy: 1.2781713417683118
Energy: 1.2659828278450342
Energy: 1.2742136960354884
Energy: 1.2838847837030063
Energy: 1.263595243429897
Energy: 1.2753783653187667
Energy: 1.274004337804375
Energy: 1.269928957463069
Energy: 1.3440874234567979
Energy: 1.2763826554767177
Energy: 1.2909095365684162
Energy: 1.3454410605337654
Energy: 1.2743083390836163
Energy: 1.1954359791487312
Energy: 1.1949583194449935
Energy: 1.2749199565957658
Energy: 1.1961934837992576
Energy: 1.2759881909737008
Energy: 1.190043348101716
Energy: 1.1776257742063438
Energy: 1.1772221548206148
Energy: 1.176941034678978
Energy: 1.4471827688553274
Energy: 1.1773791015280852
Energy: 2.000821278451107
Energy: 1.4844684509083335
Energy: 1.3639609987269437
Energy: 1.1789642537493557
Energy: 1.383988319156112
Energy: 1.3068490070912695
Energy: 1.318442306209
Energy: 1.5350408745111506
Energy: 1.3776080860129094
Energy: 1.3189734351238007
Energy: 1.4439672240116752
Energy: 1.1774287166361659
Energy: 1.1772360033654459
Energy: 1.1775854002441035
Energy: 1.1771697848725116
Energy: 1.1771417184440356
Energy: 1.4974312986079736
Energy: 1.1775230056776176
Energy: 1.210374998240934
Energy: 1.1864237989497772
Energy: 1.1853545455422003
Energy: 1.2100906919551913
Energy: 1.1860396063187497
Energy: 1.2115398481111486
Energy: 1.209706830820015
Energy: 1.2493172917353756
Energy: 1.2373884168060163
Energy: 1.212096433999659
Energy: 1.377341403466155
Energy: 1.225577687431874
Energy: 1.2118418801799764
Energy: 1.2668485635302518
Energy: 1.2432760090092683
Energy: 1.212403096064347
Energy: 1.3191710224026763
Energy: 1.2662433255814263
Energy: 1.2195557904626313
Energy: 1.2650061561620276
Energy: 1.265655734969597
Energy: 1.209119286869521
Energy: 1.4507776818217584
Energy: 1.2737181787191556
Energy: 1.8025407870185735
Energy: 1.4038118404200013
Energy: 1.3222252254753888
Energy: 1.194658165030117
Energy: 1.4035913015106558
Energy: 1.281195954873189
Energy: 1.2500091797597435
Energy: 1.3720161177175334
Energy: 1.1956117733874143
Energy: 1.2771742211392316
Energy: 1.1947819445506747
Energy: 1.1966330589843934
Energy: 1.2697098450559836
Energy: 1.245810744068174
Energy: 1.2464243453587192
Energy: 1.2698449078016916
Energy: 1.4260233949283518
Energy: 1.2424419844846881
Energy: 1.397060609555413
Energy: 1.2255425759937377
Energy: 1.2257354894473298
Energy: 1.3967990790541012
Energy: 1.2263112403299938
Energy: 1.3521612510860865
Energy: 1.403094005756538
Energy: 1.1950352508399593
Energy: 1.1950427417075182
Energy: 1.2828681304850347
Energy: 1.3295627071575227
Energy: 1.3530783492069356
Energy: 1.6177249008522614
Energy: 1.196488403179061
Energy: 1.1959861113418306
Energy: 1.3591337027732697
Energy: 1.1958471607307228
Energy: 1.3555432519138002
Energy: 1.3430276655834832
Energy: 1.194480416668732
Energy: 1.1944871329787425
Energy: 1.3447155885011222
Energy: 1.201660493331885
Energy: 1.195110646105248
Energy: 1.7195529965124876
Energy: 1.1947942956125086
Energy: 1.1960460535214077
Energy: 1.2435275130834893
Energy: 1.194289798939804
Energy: 1.196329726041047
Energy: 1.4158847317537508
Energy: 1.1947360392767512
Energy: 1.194834808058451
Energy: 1.3082351088112707
Energy: 1.1943912349062713
Energy: 1.1945118071580199
Energy: 1.4147741972790056
Energy: 1.3532634988384091
Energy: 1.3492458027159842
Energy: 1.4146949048813733
Energy: 1.2371958649142183
Energy: 1.2907884941684187
Energy: 1.6008617997228147
Energy: 1.28057561763361
Energy: 1.2804775947185396
Energy: 1.600397192917041
Energy: 1.1843199551282877
Energy: 1.3494496059189807
Energy: 1.3038409101035198
Energy: 1.2496998021117964
Energy: 1.1948409723790019
Energy: 1.3779679193540197
Energy: 1.3821333094778823
Energy: 1.194641350547144
Energy: 1.8415872481809699
Energy: 1.257635566749823
Energy: 1.2720251440037267
Energy: 1.8424584670988817
Energy: 1.2574548394840053
Energy: 1.2724240696376359
Energy: 1.2587823080642802
Energy: 1.266517415532208
Energy: 1.2397516556163106
Energy: 1.2709484648914315
Energy: 1.2599449604637036
Energy: 1.2762225779289078
Energy: 1.2572888681299335
Energy: 1.279981582747385
Energy: 1.2329613477124584
Energy: 1.2599700251142663
Energy: 1.2752838842914385
Energy: 1.2342772349324538
Energy: 1.2705544478717674
Energy: 1.2404430332302188
Energy: 1.2400046941297964
Energy: 1.2567669214679278
Energy: 1.2751938521525856
Energy: 1.2394917959422014
Energy: 1.265605047961719
Energy: 1.193506194415506
Energy: 1.193243292503787
Energy: 1.2667931310450322
Energy: 1.1946100593636582
Energy: 1.1932151133430926
Energy: 1.345797416672745
Energy: 1.1936007392204029
Energy: 1.1931672132832796
Energy: 1.3468139706533326
Energy: 1.1957410997178763
Energy: 1.1932117726039764
Energy: 1.183547123482398
Energy: 1.2741723930427062
Energy: 1.2376060160172275
Energy: 1.3727833909720435
Energy: 1.4195248522280088
Energy: 1.3066513782076719

minimum gb energy = 1.176941034678978 eV
minimum distance =  2.29257679145455 Angstroms
sigma value = 81


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

Energy: 2.1222485873555974
Energy: 1.3361875693076737
Energy: 1.2105556297783258
Energy: 1.2103761044187764
Energy: 1.186908690386263
Energy: 1.2751162496632809
Energy: 1.2328294815311192
Energy: 1.2610045636967646
Energy: 1.1887308916678447
Energy: 1.2545145895540655
Energy: 1.256123682467032
Energy: 1.2852784085631108
Energy: 1.267831975637788
Energy: 1.2470885477445075
Energy: 1.2059267409280545
Energy: 1.1874367170802764
Energy: 1.2250249670241344
Energy: 1.2927577427655934
Energy: 1.2727419295032447
Energy: 1.2063610212680538
Energy: 1.3120601872241149
Energy: 1.2711688767369624
Energy: 1.2253917172141255
Energy: 1.30419606798075
Energy: 1.273438114070991
Energy: 1.3053962498196916
Energy: 1.3272106356633877
Energy: 1.2713515369935238
Energy: 1.3476610337429453
Energy: 1.345252221875674
Energy: 1.3716528435845263
Energy: 1.2878731533095842
Energy: 1.2864347123302489
Energy: 1.4194369981172055
Energy: 1.3308878227588368
Energy: 1.264848907981598
Energy: 1.2729506493620961
Energy: 1.2747925119880448
Energy: 1.3133190534506551
Energy: 1.2921323736054782
Energy: 1.274702730481127
Energy: 1.3273162503207543
Energy: 1.698684510375284
Energy: 1.6820136652258086
Energy: 1.5361008478698606
Energy: 1.6988343216747879
Energy: 1.5540258333307286
Energy: 1.3547141929393811
Energy: 1.2987299684632574
Energy: 1.2928718137219726
Energy: 1.3290555834935178
Energy: 1.3034505970286248
Energy: 1.2955057496972973
Energy: 1.3491873731331372
Energy: 1.3633974269227358
Energy: 1.1608592160365305
Energy: 1.1605867422032223
Energy: 1.3631848548536265
Energy: 1.1610188758723605
Energy: 1.1607269247033782
Energy: 1.2812857010179957
Energy: 1.1600072231087881
Energy: 1.1597209740232495
Energy: 1.2875656837385043
Energy: 1.1597635817011123
Energy: 1.2547586896684937
Energy: 1.2247059577344674
Energy: 1.408363906713326
Energy: 1.2728822179301558
Energy: 1.2247093421205937
Energy: 1.2817714883042095
Energy: 1.274023629124976
Energy: 1.2261487418463808
Energy: 1.274983229190425
Energy: 1.386531088388684
Energy: 1.2265520838110753
Energy: 1.2741532051396272
Energy: 1.2488863499150293
Energy: 1.2802412276170745
Energy: 1.2737398519114613
Energy: 1.3358928405059962
Energy: 1.3002640232666747
Energy: 1.275607770132914
Energy: 1.3333088935937965
Energy: 1.750057751282842
Energy: 1.413755436775476
Energy: 1.3758712839617013
Energy: 1.3168965879933143
Energy: 1.3347302972756645
Energy: 1.328954922414352
Energy: 1.2799091093813073
Energy: 1.3342765502154301
Energy: 1.332008168518728
Energy: 1.2805450606312558
Energy: 1.301403961268433
Energy: 1.3340566532126712
Energy: 1.526509444417075
Energy: 1.2086718667042895
Energy: 1.2835206300223236
Energy: 1.5266447519559372
Energy: 1.2686373682560557
Energy: 1.3408442657670772
Energy: 1.2552933319727813
Energy: 1.371488724302589
Energy: 1.3327386307149738
Energy: 1.2863713510619368
Energy: 1.310805124379081
Energy: 1.332678384960707
Energy: 1.1621294726780846
Energy: 1.333683441073871
Energy: 1.1598209896841656
Energy: 1.2006510481053274
Energy: 1.4089027537403616
Energy: 1.159637501301103
Energy: 1.1617744492265447
Energy: 1.3592133115995078
Energy: 1.1599979931252
Energy: 1.1606946618248546
Energy: 1.3159635576847755
Energy: 1.1598099987823745
Energy: 1.2560138163200907
Energy: 1.3675173816861177
Energy: 1.3536382843344388
Energy: 1.286333055301
Energy: 1.311790845089469
Energy: 1.3313620101172934
Energy: 1.2739628814285757
Energy: 1.2064188887863658
Energy: 1.2673665517573278
Energy: 1.2740076979804762
Energy: 1.2256328791106539
Energy: 1.3670824263509511
Energy: 1.2729427306113301
Energy: 1.3330396454547933
Energy: 1.3310855750022488
Energy: 1.2741129161151377
Energy: 1.313755785438257
Energy: 1.2745028410048755
Energy: 1.2751748191477776
Energy: 1.3719047007155916
Energy: 1.3308188615305823
Energy: 1.276241923261028
Energy: 1.3333258757045652
Energy: 1.3300892203905976
Energy: 1.274278136173419
Energy: 1.317266495926857
Energy: 1.312486225695347
Energy: 1.407669122573787
Energy: 1.2796559107500278
Energy: 1.3131700262161392
Energy: 1.6363124856052995
Energy: 1.5249946607202844
Energy: 1.2753425864566332
Energy: 1.2677422271496321
Energy: 1.524898724909697
Energy: 1.3168135582173894
Energy: 1.2328168120238532
Energy: 1.2971116514137828
Energy: 1.2739935984886042
Energy: 1.2676081938774069
Energy: 1.2969361610810721
Energy: 1.3168751280267301
Energy: 1.2771363835061642
Energy: 1.1601058131558026
Energy: 1.331941475527433
Energy: 1.3075707144177215
Energy: 1.1597877726250037
Energy: 1.25557620257196
Energy: 1.2820295443235106
Energy: 1.161398432348822
Energy: 1.1611490989323028
Energy: 1.2877536376044416
Energy: 1.1615229790702664
Energy: 1.1614830377929535
Energy: 1.302572185072085
Energy: 1.40092482498199
Energy: 1.328329958833796
Energy: 1.3037781572119378
Energy: 1.2945875827138944
Energy: 1.3379774960458277
Energy: 1.2267343646546467
Energy: 1.4428856018987735
Energy: 1.2882348232698138
Energy: 1.2264403492118918
Energy: 1.406342565088309
Energy: 1.2965777382994206
Energy: 1.2776529793767313
Energy: 1.269290406510325
Energy: 1.269093155264191
Energy: 1.2912003212308918
Energy: 1.2695736616735886
Energy: 1.2701334520458192
Energy: 1.278360285924266
Energy: 1.3384357209634015
Energy: 1.336982042833935
Energy: 1.3577597929027378
Energy: 1.270985982378445
Energy: 1.338218903054762
Energy: 1.2776261849209418
Energy: 1.2684460440007934
Energy: 1.2798773266062673
Energy: 1.2763025490352056
Energy: 1.3396938893094816
Energy: 1.268315374491364
Energy: 1.277853592157568
Energy: 1.2349102912729828
Energy: 1.3127984939063317
Energy: 1.2760548072877365
Energy: 1.2973954227390454
Energy: 1.2327483081430413
Energy: 1.5273062511994004
Energy: 1.206716026437882
Energy: 1.2073214319107453
Energy: 1.4471179576478426
Energy: 1.2682923143182545
Energy: 1.447741508566671
Energy: 1.2704229882204936
Energy: 1.237108770528826
Energy: 1.1885744432194054
Energy: 1.2634725878209199
Energy: 1.2555850773697774
Energy: 1.230969375715145
Energy: 2.1234476312200288
Energy: 1.298595302210282
Energy: 1.2115163312801738
Energy: 1.162418822988495
Energy: 1.3292874023178904
Energy: 1.2764151553547247

minimum gb energy = 1.159637501301103 eV
minimum distance =  2.3448531767158 Angstroms
sigma value = 43


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

Energy: 2.153356353327181
Energy: 1.569477018082285
Energy: 1.4200836046139096
Energy: 1.289173563620144
Energy: 1.574861954078141
Energy: 1.2890641186000829
Energy: 1.2099905301025586
Energy: 1.2101772340447177
Energy: 1.392601369029964
Energy: 1.3126061918119012
Energy: 1.3151215191751844
Energy: 1.3728389842112823
Energy: 1.2235743120652365
Energy: 1.2072511863983162
Energy: 1.209442154324075
Energy: 1.2236716104500116
Energy: 1.2153285727949295
Energy: 1.2264324412819319
Energy: 1.22697249423342
Energy: 1.2160799130867166
Energy: 1.2322401227132367
Energy: 1.2233247002679246
Energy: 1.3871697976553683
Energy: 1.2236462568165394
Energy: 1.2396168437437576
Energy: 1.2501812638620615
Energy: 1.2984429417381265
Energy: 1.23983724352664
Energy: 1.2866828631649965
Energy: 1.2985044298667632
Energy: 1.2495548047874163
Energy: 1.2866677293261175
Energy: 1.2990252581956991
Energy: 1.2559877379620221
Energy: 1.2239767151739973
Energy: 1.2980663651627047
Energy: 1.2404250913664976
Energy: 1.2386618773802882
Energy: 1.2417668414995453
Energy: 1.2404026461133333
Energy: 1.2424430293135655
Energy: 1.231941154786106
Energy: 1.4051713775428787
Energy: 1.224166061372563
Energy: 1.2234190329215529
Energy: 1.3253036231612267
Energy: 1.2247535169534554
Energy: 1.3227228355950713
Energy: 1.3155128703802554
Energy: 1.2475879490354054
Energy: 1.2473177969841165
Energy: 1.3151635221879654
Energy: 1.2485845515266338
Energy: 1.2479466223902391
Energy: 1.4055318061479491
Energy: 1.318437653022548
Energy: 1.317563695844863
Energy: 1.4056781692578093
Energy: 1.319070249813161
Energy: 1.3169733044168694
Energy: 1.200526441962979
Energy: 1.26807070488755
Energy: 1.3245508648111886
Energy: 1.2006837367342542
Energy: 1.3898272631707291
Energy: 1.3013435815121697
Energy: 1.4180801928390978
Energy: 1.2488174001777286
Energy: 1.247557848531552
Energy: 1.1973157417023115
Energy: 1.4223672362256485
Energy: 1.2477060768141544
Energy: 1.3387159738577654
Energy: 1.2315421864553155
Energy: 1.2468246004759282
Energy: 1.1998326403125088
Energy: 1.2979253095323635
Energy: 1.2467011475958365
Energy: 1.2003151785867796
Energy: 1.233596071512735
Energy: 1.3715072045798027
Energy: 1.200590313988649
Energy: 1.3359823214002555
Energy: 1.3018615291036872
Energy: 1.2023099883194444
Energy: 1.2295022145989298
Energy: 1.2268669671179357
Energy: 1.2013970505895366
Energy: 1.3052409258013649
Energy: 1.2268601930184884
Energy: 1.2035600207734884
Energy: 1.2291641071170374
Energy: 1.203390070999495
Energy: 1.2034302879266328
Energy: 1.3559548599203066
Energy: 1.2024190742488658
Energy: 1.2009737566257919
Energy: 1.2061759400482606
Energy: 1.2078500624359925
Energy: 1.2011363230671734
Energy: 1.3690268023379242
Energy: 1.2037442745171831
Energy: 1.200700656776183
Energy: 1.3293250420027947
Energy: 1.2106813940909522
Energy: 1.2007548041262757
Energy: 1.4086242366690533
Energy: 1.2106520992374157
Energy: 1.314759088992287
Energy: 1.2031176274786708
Energy: 1.202783139263134
Energy: 1.4116546189913475
Energy: 1.3056246889332852
Energy: 1.2419103888304908
Energy: 1.3137457334104101
Energy: 1.2059031576283346
Energy: 1.2028620944361754
Energy: 1.2497966973539711
Energy: 1.2001605291787731
Energy: 1.2250897794283069
Energy: 1.2006956662840422
Energy: 1.3122370860357078
Energy: 1.3281228456267709
Energy: 1.2005940074138826
Energy: 1.4193172822459938
Energy: 1.32831803048191
Energy: 1.473264004648833
Energy: 1.2455014366544133
Energy: 1.3374913283731127
Energy: 1.4734803654262847
Energy: 1.2149951156268182
Energy: 1.417633029510901
Energy: 1.4066828808673475
Energy: 1.2117950442530339
Energy: 1.3287310261515186
Energy: 1.4083152693250311
Energy: 1.3207356913374422
Energy: 1.3210238790853368
Energy: 1.3930738607848716
Energy: 1.4678120276416822
Energy: 1.2030341545996084
Energy: 1.4348775536307676
Energy: 1.2036235120085508
Energy: 1.203718899471798
Energy: 1.4082416159015538
Energy: 1.199702358821932
Energy: 1.2073245298965665
Energy: 1.4086273639670044
Energy: 1.1997525261783237
Energy: 1.203087898912759
Energy: 1.337270110985365
Energy: 1.2003517279502767
Energy: 1.2266772437004647
Energy: 1.3729881078187078
Energy: 1.2007604588245135
Energy: 1.2332652841501759
Energy: 1.3369882855556092
Energy: 1.2031602718243946
Energy: 1.2033422409757493
Energy: 1.3369290706816792
Energy: 1.2010711231799125
Energy: 1.2031675357908944
Energy: 1.2967143880632646
Energy: 1.3475980638481484
Energy: 1.2325999756215642
Energy: 1.2966905234316217
Energy: 1.3140642390473503
Energy: 1.2328227006085943
Energy: 1.3071344353568894
Energy: 1.2230321758864002
Energy: 1.22378113315063
Energy: 1.3059488041990515
Energy: 1.3187847440414702
Energy: 1.2246734507492294
Energy: 1.2241898208231772
Energy: 1.2102709540133074
Energy: 1.370158632707109
Energy: 1.3121072596274588
Energy: 1.314838527738064
Energy: 1.2471935198976376
Energy: 2.1572834113557184
Energy: 1.4378813019003909
Energy: 1.4421966407449682
Energy: 1.2463348975309088
Energy: 1.4352055514096795
Energy: 1.388385448682431

minimum gb energy = 1.1973157417023115 eV
minimum distance =  2.26558651658953 Angstroms
sigma value = 57


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

Energy: 1.7634086431934357
Energy: 1.4275105899983678
Energy: 1.3857142674306189
Energy: 1.6806255305090172
Energy: 1.2713435220127929
Energy: 1.4941099684756565
Energy: 1.2591237937894262
Energy: 1.296645786337032
Energy: 1.2946220898510377
Energy: 1.218816532813317
Energy: 1.4001867340679996
Energy: 1.2945070584276233
Energy: 1.7261286050652223
Energy: 1.2186124609769309
Energy: 1.21820649243678
Energy: 1.5673895414962844
Energy: 1.2178306567174528
Energy: 1.2178017131198224
Energy: 1.3755325582517233
Energy: 1.217808311001704
Energy: 1.2177754671763799
Energy: 1.3781491777346646
Energy: 1.2180144338798202
Energy: 1.2093393504346657
Energy: 1.3749944801290268
Energy: 1.4413349382650582
Energy: 1.3379565890462466
Energy: 1.3763334426505693
Energy: 1.3357824574463468
Energy: 1.3701289209567877
Energy: 1.2175813537210924
Energy: 1.3266131724652594
Energy: 1.3637371818044675
Energy: 1.3767882712486166
Energy: 1.375588334521155
Energy: 1.371138226381959
Energy: 1.3954730344871735
Energy: 1.3736841929693278
Energy: 1.3731629721946985
Energy: 1.434431424629748
Energy: 1.3759475331801672
Energy: 1.37445271075054
Energy: 1.3072183406188351
Energy: 1.4748716931444223
Energy: 1.4448455367027955
Energy: 1.3070545666960833
Energy: 1.4269687365368573
Energy: 1.3854624874836863
Energy: 1.407698370995906
Energy: 1.3873593000954059
Energy: 1.3854781606452367
Energy: 1.4084191752158488
Energy: 1.3860144083150308
Energy: 1.4274719125985194
Energy: 1.6609987876992605
Energy: 1.3089257619974268
Energy: 1.3081139757236044
Energy: 1.662060312806746
Energy: 1.3087657279397211
Energy: 1.3081471685034949
Energy: 1.5085542570717445
Energy: 1.307408456428126
Energy: 1.3495201392769791
Energy: 1.356475091575717
Energy: 1.3565369098834055
Energy: 1.3458727135446948
Energy: 1.1487057514457633
Energy: 1.3799694661623856
Energy: 1.3800298367502022
Energy: 1.1511455965472064
Energy: 1.567577257203754
Energy: 1.330584585337552
Energy: 1.1580922000845602
Energy: 1.3810461248214725
Energy: 1.3313158475439175
Energy: 1.3318844107785668
Energy: 1.3815150630846211
Energy: 1.3311370497328083
Energy: 1.5049712031934912
Energy: 1.4556753485037193
Energy: 1.4489554427425069
Energy: 1.3578429355206028
Energy: 1.4311194081599297
Energy: 1.349997709752211
Energy: 1.3739041462108628
Energy: 1.2187493050947305
Energy: 1.2766164923000396
Energy: 1.3736227021492329
Energy: 1.218270331234213
Energy: 1.2768643079967088
Energy: 1.3732913762584356
Energy: 1.3906053797998537
Energy: 1.3954397617930836
Energy: 1.3744079464533616
Energy: 1.564716380183619
Energy: 1.400537428848746
Energy: 1.3946815645124864
Energy: 1.367353544023472
Energy: 1.368069713609888
Energy: 1.3929531498838588
Energy: 1.4043980786493295
Energy: 1.3669768824889221
Energy: 1.3946094413254462
Energy: 1.3751024608728437
Energy: 1.3808247117832793
Energy: 1.4362264662152664
Energy: 1.3746066664782457
Energy: 1.3816942435203505
Energy: 1.4331197397442192
Energy: 1.3749778294715456
Energy: 1.4061687737571684
Energy: 1.419842859505252
Energy: 1.3747704971915387
Energy: 1.4057518954364663
Energy: 1.386603386753296
Energy: 1.3928493644813178
Energy: 1.382243934951431
Energy: 1.3837949415312398
Energy: 1.5625694410988855
Energy: 1.4080445840898788
Energy: 1.3823446489412192
Energy: 1.4185065388853582
Energy: 1.4875571185352494
Energy: 1.3889746712371163
Energy: 1.4387191807367814
Energy: 1.2085893213592158
Energy: 1.4830873016432489
Energy: 1.3083956894938402
Energy: 1.3635680204316392
Energy: 1.4086086268299882
Energy: 1.3093983274351917
Energy: 1.3636736194528576
Energy: 1.5689717959146734
Energy: 1.2963464760912258
Energy: 1.296488514641423
Energy: 1.2160210623191596
Energy: 1.3985097054142483
Energy: 1.212104548783493
Energy: 1.2701498156856472
Energy: 1.3026099319418323
Energy: 1.3312299690206113
Energy: 1.3327134429008185
Energy: 1.30284827660243
Energy: 1.4390336498265504

minimum gb energy = 1.1487057514457633 eV
minimum distance =  2.33395137217785 Angstroms
sigma value = 17


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

Energy: 1.8750450035061217
Energy: 1.4057295499089952
Energy: 1.401386897100413
Energy: 1.1776427542579415
Energy: 1.2916363667422697
Energy: 1.1773714793785115
Energy: 1.1218390291822904
Energy: 1.2372966912308831
Energy: 1.2371859758253876
Energy: 1.2532916246235362
Energy: 1.2389463635841926
Energy: 1.2205761445522798
Energy: 1.5313439586436792
Energy: 1.17252726506648
Energy: 1.1225415834231236
Energy: 1.533689081249951
Energy: 1.1725419456550337
Energy: 1.1231229073862186
Energy: 1.2366092984521988
Energy: 1.1725787570078157
Energy: 1.1227150895584839
Energy: 1.2365356733579305
Energy: 1.0658687140963516
Energy: 1.2366267706741303
Energy: 1.1123219171423164
Energy: 1.1956836385713203
Energy: 1.2162837214556117
Energy: 1.1128249504634036
Energy: 1.194963451645602
Energy: 1.216068070964826
Energy: 1.6322535214606309
Energy: 1.0956325261961861
Energy: 1.1846229537566833
Energy: 1.2277024624410402
Energy: 1.0953611427703795
Energy: 1.2300876422867966
Energy: 1.1118812053473426
Energy: 1.0947103832665455
Energy: 1.094793314641898
Energy: 1.1126281549481811
Energy: 1.0957459916377612
Energy: 1.172286573022026
Energy: 1.3444502254610131
Energy: 1.2365873599197745
Energy: 1.2945091591808346
Energy: 1.2363019936511859
Energy: 1.235981393077072
Energy: 1.2534815010027018
Energy: 1.099290001698159
Energy: 1.2380932976906274
Energy: 1.2372192007109293
Energy: 1.0969480120958068
Energy: 1.1874517129551334
Energy: 1.0954339669227633
Energy: 1.0948211492857163
Energy: 1.184750061449419
Energy: 1.1849422639022562
Energy: 1.0949146558181395
Energy: 1.2094327666917464
Energy: 1.1848969995567196
Energy: 1.2992899020335578
Energy: 1.2164245837327659
Energy: 1.2161190821567098
Energy: 1.3705352006163103
Energy: 1.2383935380835842
Energy: 1.1941079662952325
Energy: 1.2566471976995357
Energy: 1.2366778525864046
Energy: 1.2363358491063456
Energy: 1.2569727808772335
Energy: 1.2367660772328826
Energy: 1.2364039985140407
Energy: 1.235816036822298
Energy: 1.3667465639708838
Energy: 1.237631537755103
Energy: 1.2169845271150919
Energy: 1.371544917855021
Energy: 1.2631904053821108
Energy: 1.2535497936593707
Energy: 1.2379078711293066
Energy: 1.2378798949836936
Energy: 1.2532212069396929
Energy: 1.2374563486674854
Energy: 1.2374880459339357
Energy: 1.6353363881207081
Energy: 1.2373809179655013
Energy: 1.2363818134847864
Energy: 1.6346716702616022
Energy: 1.2364454221898427
Energy: 1.3657999258859226
Energy: 1.5386442252300707
Energy: 1.281063590829152
Energy: 1.2204693436350567
Energy: 1.533163422654651
Energy: 1.2549240837384459
Energy: 1.2370586154409895
Energy: 1.233256766836013
Energy: 1.2371030716829614
Energy: 1.3496774783166667
Energy: 1.2327424213647455
Energy: 1.369188291835175
Energy: 1.349972979107706

minimum gb energy = 1.0658687140963516 eV
minimum distance =  2.30961847497583 Angstroms
sigma value = 17


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

Energy: 1.9486304018160818
Energy: 1.3455222859361393
Energy: 1.1374534803183223
Energy: 1.1372088224737609
Energy: 1.2481244788302612
Energy: 1.1371845575964306
Energy: 1.2639807043963298
Energy: 1.201973373780815
Energy: 1.216032498054765
Energy: 1.2013981536012515
Energy: 1.2044075773680774
Energy: 1.1336575816472507
Energy: 1.43846952084273
Energy: 1.1356155881297376
Energy: 1.1241689642468167
Energy: 1.4399082355729298
Energy: 1.136463151679696
Energy: 1.0971184651020698
Energy: 1.2014869773509405
Energy: 1.1251733748215629
Energy: 1.097516112398235
Energy: 1.2020392751455706
Energy: 1.0109895222824694
Energy: 1.0968003383450458
Energy: 1.068589743268222
Energy: 1.1412534885244385
Energy: 1.134635088161395
Energy: 1.069302946423228
Energy: 1.1398314542908103
Energy: 1.1353039357894235
Energy: 1.7256847459438793
Energy: 1.052144678544867
Energy: 1.0045547906954344
Energy: 1.135537394665839
Energy: 1.0534424508841915
Energy: 1.0732941358970571
Energy: 1.402113172499517
Energy: 1.0524480173957396
Energy: 1.0522878288876103
Energy: 1.4024621522924303
Energy: 1.0558827048449657
Energy: 1.1029877095257898
Energy: 1.1693706669435266
Energy: 1.1089528739157404
Energy: 1.1207062625634756
Energy: 1.0867701102058556
Energy: 1.10944880204609
Energy: 1.1704195584667796
Energy: 0.9922948066108387
Energy: 1.120305554855591
Energy: 1.0643825761120393
Energy: 0.9938524571901928
Energy: 0.9914891795284374
Energy: 0.9921984352133562
Energy: 0.9921852223365882
Energy: 1.1143792853561323
Energy: 1.1142552938920633
Energy: 0.9918540764047433
Energy: 1.1146298318317127
Energy: 1.1149307616223065
Energy: 0.9902975001778825
Energy: 0.9912694766428184
Energy: 1.1142483577741311
Energy: 1.1144305754372403
Energy: 0.9918285391115027
Energy: 1.11437134648541
Energy: 0.9961397259174802
Energy: 0.9921656191631525
Energy: 0.9923524896232402
Energy: 0.9977387097525885
Energy: 0.9918799356944621
Energy: 1.0643280354952387
Energy: 1.05206553554706
Energy: 1.1097387801251404
Energy: 1.0688663832257925
Energy: 1.1241051135857916
Energy: 1.1194958821630079
Energy: 1.1244063186681503
Energy: 1.0531091926663043
Energy: 1.1410050002053964
Energy: 1.140889853366233
Energy: 1.0533757158483228
Energy: 1.2208758749214959
Energy: 1.0523716268071164
Energy: 1.053319025325628
Energy: 1.0639280008132588
Energy: 1.0640100819048508
Energy: 1.0530799021021433
Energy: 1.123232826351995
Energy: 1.1205768634914057
Energy: 1.3588224407696494
Energy: 1.2020964734704787
Energy: 1.133543424071898
Energy: 1.2816232944284298
Energy: 1.201421295154275
Energy: 1.121349740310569
Energy: 0.9927995255270301
Energy: 1.2017093147581146
Energy: 1.2017409060131523
Energy: 0.993393975137962
Energy: 1.2014129582930209
Energy: 1.0511816647434054
Energy: 1.0720478687117367
Energy: 1.3005782489295739
Energy: 1.2020167943194064
Energy: 1.0716290815574205
Energy: 1.301954752610416
Energy: 1.1211143941293285
Energy: 1.343101241118632
Energy: 1.2013483343477735
Energy: 1.1519021244189815
Energy: 1.34408113985012
Energy: 1.0708506952367332
Energy: 1.1216080591554605
Energy: 1.6148042397540079
Energy: 1.051569378223524
Energy: 1.149975660444125
Energy: 1.6153504539659296
Energy: 1.127668942978353
Energy: 1.223649693746332
Energy: 1.4471663067446854
Energy: 1.2015935265927238
Energy: 1.2147682945700051
Energy: 1.3040336992064945
Energy: 1.2010240018885594
Energy: 1.201447316983991
Energy: 1.0048262180886032
Energy: 1.3030749688109078
Energy: 1.3024131476401462
Energy: 1.1260681629214822
Energy: 1.3069792309857489
Energy: 1.0966040293447157
Energy: 1.01018850243674
Energy: 1.202036969805313
Energy: 1.2023751444588404
Energy: 1.0114802498841053
Energy: 1.203422528692404
Energy: 1.3017767863552427
Energy: 1.4395117441595786
Energy: 1.1607730965246328
Energy: 1.2151669697714709
Energy: 1.4394684266098097
Energy: 1.0050662895076512
Energy: 1.2006017184361364
Energy: 1.2018590379190743
Energy: 1.134856158364243
Energy: 1.1109271315809093
Energy: 1.2020339106073419
Energy: 1.1359591845477441
Energy: 1.0966173245139386
Energy: 1.2060396269592784
Energy: 1.1362016207262735
Energy: 1.138271991347333
Energy: 1.2064723296655457
Energy: 1.1407012329648367
Energy: 1.1371785678770199
Energy: 1.0968549191004044
Energy: 1.051964029389074
Energy: 1.0521047066058133
Energy: 1.1329946266071027
Energy: 1.196692978906303
Energy: 1.0733949898688202
Energy: 0.9758824435157702
Energy: 1.052162832761215
Energy: 1.0525895708283226
Energy: 0.9757680466058654
Energy: 1.0537310118789516
Energy: 1.052588079053497
Energy: 1.409920441881659
Energy: 1.131131098549094
Energy: 1.1309137535780345
Energy: 1.0680107647773294
Energy: 1.0520902425046215
Energy: 1.1320659470375931
Energy: 0.9922702855701846
Energy: 1.1088088622974008
Energy: 1.1204194138336723
Energy: 0.9924331646589497
Energy: 1.1092997998660736
Energy: 1.1291651544204118
Energy: 0.998698499938998
Energy: 1.119285838694822
Energy: 1.1184861531317625
Energy: 0.9925407304767577
Energy: 1.1157499352457274
Energy: 1.0631874334333815
Energy: 1.4967680717342466
Energy: 1.1149440139676818
Energy: 1.1206474362507413
Energy: 1.161864802461788
Energy: 1.1241811728525977
Energy: 1.120515212744124
Energy: 1.0073005996087907
Energy: 0.9922096156812583
Energy: 0.9919189321925116
Energy: 1.0077348628431235
Energy: 0.9930762819202604
Energy: 0.992123905389556
Energy: 1.641306772596055
Energy: 1.064948592660783
Energy: 1.1222392102275025
Energy: 1.1231917021699322
Energy: 0.9913408993629883
Energy: 1.1422449084534783
Energy: 1.0524350077789522
Energy: 1.1497809876516991
Energy: 1.148680891977652
Energy: 1.052278694435301
Energy: 1.1529302596464521
Energy: 1.1430796940148034
Energy: 1.052751306754504
Energy: 1.1246085821495417
Energy: 1.1201093727645188
Energy: 1.0527040758697208
Energy: 1.123776407746909
Energy: 1.052350406350474
Energy: 1.3773221392252342
Energy: 1.1325971209313668
Energy: 1.1332234674420671
Energy: 1.1974357449424384
Energy: 1.0717659776648172
Energy: 1.119956635219209
Energy: 0.9949329366966706
Energy: 1.2015761601616435
Energy: 1.2014222936132632
Energy: 1.0513426162930244
Energy: 1.2025986742417452
Energy: 1.2013982568493848
Energy: 1.2051635179846025
Energy: 1.299746244451494
Energy: 1.050157293164651
Energy: 1.137026041756163
Energy: 1.4368517964669218
Energy: 1.0506197496520862
Energy: 1.3401937820581957
Energy: 1.202014591010888
Energy: 1.2017800363060838
Energy: 1.2028383430096345
Energy: 1.202654295530258
Energy: 1.160822357549664
Energy: 1.3452471302749442
Energy: 1.1211930514495219
Energy: 1.2162627901220888
Energy: 1.3419451642303526
Energy: 1.120734068539109
Energy: 1.1999649240436017
Energy: 1.4390126807169656
Energy: 1.148660336200956
Energy: 1.2142416519231296
Energy: 1.4406743820974024
Energy: 1.083954887420853
Energy: 1.2012071438524783
Energy: 1.2303350067314074
Energy: 1.202034963979642
Energy: 1.2158321032103607
Energy: 1.2312294401938861
Energy: 1.3028904113969313
Energy: 1.3013729431845042

minimum gb energy = 0.9757680466058654 eV
minimum distance =  2.2927595936368 Angstroms
sigma value = 57


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

Energy: 1.765428861757141
Energy: 1.2745223887174766
Energy: 1.1005884303874311
Energy: 1.1035278732775342
Energy: 1.6725285428737033
Energy: 1.0979668347304028
Energy: 1.2931896608366156
Energy: 1.1636763993237327
Energy: 1.170379151071839
Energy: 1.1517104100867506
Energy: 1.158319675941755
Energy: 1.071491832087938
Energy: 1.349097330560132
Energy: 1.0673723841874534
Energy: 1.0717697677395979
Energy: 1.3511711961548223
Energy: 1.0643257512799653
Energy: 1.0747510073874027
Energy: 1.1584825687177385
Energy: 1.0651768442909721
Energy: 1.0692402911932624
Energy: 1.1581771301436
Energy: 1.278265473630299
Energy: 1.0597908521889399
Energy: 1.185532282104469
Energy: 1.0667888905783822
Energy: 1.0721699796896085
Energy: 1.1716514469178154
Energy: 1.0890448502463854
Energy: 1.0623773871036153
Energy: 1.6056389338448411
Energy: 1.0153172096663157
Energy: 0.9659180640084554
Energy: 1.0290280747173564
Energy: 1.0153141374733878
Energy: 1.0657520849854176
Energy: 1.3119228401964098
Energy: 1.02048578098861
Energy: 1.0147929111358767
Energy: 1.3135930890973178
Energy: 1.0213283117532563
Energy: 1.0616230635840886
Energy: 1.2454577364722936
Energy: 1.0248427222066003
Energy: 1.0419180700245958
Energy: 1.245955631693982
Energy: 1.024790572116634
Energy: 1.0602611592234525
Energy: 0.9448281992543288
Energy: 1.0454039397927475
Energy: 0.942079563391732
Energy: 0.9467530051560594
Energy: 1.0836887135588587
Energy: 0.9423061529109925
Energy: 0.9426451152357036
Energy: 1.073166921529078
Energy: 1.0448685737824353
Energy: 0.9425178159129645
Energy: 1.1046438054992662
Energy: 1.0413614407626008
Energy: 0.9153870434003795
Energy: 0.9095746636903596
Energy: 1.0353554652419068
Energy: 1.0124090937324155
Energy: 0.908945321489056
Energy: 1.0378486767529587
Energy: 0.9481526592402719
Energy: 0.9087787735491979
Energy: 0.9088146749548667
Energy: 0.9492198974307173
Energy: 0.914725820900679
Energy: 1.019796769729034
Energy: 0.9154538288779815
Energy: 1.0908845488817736
Energy: 1.0520435559234655
Energy: 0.9157850341026279
Energy: 1.0544818069738136
Energy: 1.0516807043149252
Energy: 0.9097270962342932
Energy: 1.0208486433064785
Energy: 0.9085983198098591
Energy: 0.9123954980205835
Energy: 1.2491705539219429
Energy: 0.9085580317572407
Energy: 0.910115489364925
Energy: 1.0499489785192344
Energy: 1.0198383974724923
Energy: 0.9101478902646035
Energy: 1.0201763347116637
Energy: 1.0197736315998307
Energy: 1.098343302676425
Energy: 0.9424060491995547
Energy: 1.04150897413351
Energy: 1.0438146581753909
Energy: 0.9427090331470591
Energy: 1.0398446780823634
Energy: 0.9632177811931832
Energy: 0.9424620458885604
Energy: 0.942376392721204
Energy: 0.9640517166318432
Energy: 0.9507879893963802
Energy: 1.0019214222829604
Energy: 0.9116446362917625
Energy: 1.0079231170106342
Energy: 1.0504426788760879
Energy: 0.913147140687124
Energy: 1.0414080316841539
Energy: 1.0552048495137911
Energy: 1.0148832442063942
Energy: 1.0756624880101004
Energy: 1.0145976374702257
Energy: 1.0161786456181274
Energy: 1.3191155937150683
Energy: 1.0147052041303253
Energy: 1.2811916939726742
Energy: 1.0487903611352392
Energy: 1.1058590311555725
Energy: 1.2817784876530933
Energy: 1.0483389285308544
Energy: 1.0755931167529622
Energy: 1.3241062137219122
Energy: 1.2013726388667239
Energy: 1.0689899064716217
Energy: 1.0888753170532366
Energy: 1.2070699437426298
Energy: 1.0702546564697195
Energy: 1.0040153968607013
Energy: 1.151836912389404
Energy: 1.0147268607987714
Energy: 1.049431047952246
Energy: 1.1514007322479223
Energy: 1.0667873060397395
Energy: 1.1334068232776568
Energy: 1.152131304290665
Energy: 1.164312752172802
Energy: 1.1336594728576608
Energy: 1.237110698797299
Energy: 1.1622835932537312
Energy: 1.2718943079963345
Energy: 1.0659382234026846
Energy: 1.0713750224452399
Energy: 1.2735942622763592
Energy: 1.156589191571589
Energy: 1.0715175668285406
Energy: 1.3543284247589527
Energy: 1.0720414294211251
Energy: 1.014505168881186
Energy: 1.3549161495450892
Energy: 1.0787820801705579
Energy: 1.1516470709123596
Energy: 1.3488713939257473
Energy: 1.152143436280595
Energy: 1.1602908899883564
Energy: 1.159836540714783
Energy: 1.1592307196384617
Energy: 1.1518320531166546
Energy: 1.0618909902034928
Energy: 1.2333992905637163
Energy: 1.06095314637741
Energy: 1.0685359400091374
Energy: 1.3557824669113523
Energy: 1.0605612658249752

minimum gb energy = 0.9085580317572407 eV
minimum distance =  2.29172070777419 Angstroms
sigma value = 43


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

Energy: 1.6472431276407489
Energy: 1.132680792329968
Energy: 0.9939377339366409
Energy: 0.8738686616847144
Energy: 1.0641180432028032
Energy: 1.006362921063332
Energy: 1.1213941153202438
Energy: 0.9382911875848055
Energy: 0.935006202294238
Energy: 1.0164163856397017
Energy: 1.020192588521156
Energy: 0.9138246473155148
Energy: 1.1703400775090085
Energy: 0.8969023518913999
Energy: 0.9321456475802053
Energy: 1.1725983573481884
Energy: 0.8957856575769332
Energy: 0.9260605580438321
Energy: 1.019773873035656
Energy: 0.9222893303692471
Energy: 0.8989438863210917
Energy: 1.0198060958964228
Energy: 0.9782429721866179
Energy: 0.9471026921044355
Energy: 1.0279366560550953
Energy: 0.9089230567670212
Energy: 0.9354804636106335
Energy: 1.0276804437593356
Energy: 0.9127742454708458
Energy: 0.9154576896743299
Energy: 0.8206269302172388
Energy: 0.9082696319976167
Energy: 0.8962084128862462
Energy: 0.8737524452270473
Energy: 0.9083202253099928
Energy: 0.8553402852492431
Energy: 1.136131972399805
Energy: 0.908592210733781
Energy: 0.9086648101832777
Energy: 1.0133086142360217
Energy: 0.908906168150005
Energy: 1.0822469784347066
Energy: 1.079976835355521
Energy: 0.8614195076662685
Energy: 0.8822841929152381
Energy: 1.0827506624489514
Energy: 0.8615680256363435
Energy: 0.8817101601044309
Energy: 0.8463276506581274
Energy: 0.8812302517023609
Energy: 0.8437486347299609
Energy: 0.8485076454229353
Energy: 1.076882613950458
Energy: 0.8440681796346061
Energy: 0.8440555791800486
Energy: 0.9036878201741081
Energy: 0.899286583750447
Energy: 0.8440972338560984
Energy: 0.9002669372494696
Energy: 0.8993292077610149
Energy: 0.7858090377090826
Energy: 0.8023178321832765
Energy: 0.8705396512655041
Energy: 0.8580679471442854
Energy: 0.802547278217862
Energy: 0.8599015320107614
Energy: 1.0692454933422175
Energy: 0.8024484120865738
Energy: 0.8023668112261351
Energy: 1.0715381458949396
Energy: 0.8023366785422745
Energy: 0.8821517035700774
Energy: 1.047522204849311
Energy: 0.8496508372287274
Energy: 0.8778488906333469
Energy: 1.050015020931454
Energy: 0.8497389494294155
Energy: 0.8557183549448161
Energy: 0.7776690471505351
Energy: 1.0571279136108838
Energy: 0.7776405976463037
Energy: 0.779842176462996
Energy: 1.057991342179963
Energy: 0.7775685289404143
Energy: 0.7775554640028282
Energy: 0.8518035284800289
Energy: 0.8623494412971371
Energy: 0.7774695426030931
Energy: 0.8502724246506427
Energy: 0.8580430698695356
Energy: 0.908555385554913
Energy: 0.766175032662123
Energy: 0.7655898589663638
Energy: 0.8493818279896436
Energy: 0.7662464599586304
Energy: 0.851584481141166
Energy: 0.9171412345398653
Energy: 0.7660162002507397
Energy: 0.7664311277130301
Energy: 1.0520461175884683
Energy: 0.7661068737264938
Energy: 0.8574722905640791
Energy: 1.039781061907972
Energy: 0.8770319653183379
Energy: 0.8765749249457037
Energy: 1.034695115413372
Energy: 0.8958262914570483
Energy: 0.8761220665825687
Energy: 0.76600827416792
Energy: 1.0510484028814464
Energy: 0.7659796525252369
Energy: 0.7680778751199211
Energy: 1.055870091003092
Energy: 0.7660371885698635
Energy: 1.0395856563332135
Energy: 0.9087404949703491
Energy: 0.9079756081746317
Energy: 1.0421172160763998
Energy: 0.9090430840736293
Energy: 0.9074352208456856
Energy: 1.0620504578840786
Energy: 0.7776417351714485
Energy: 0.7775417815715029
Energy: 1.057705130606724
Energy: 0.777517509559893
Energy: 0.8664563045070504
Energy: 0.7683645702998674
Energy: 0.7777747986653808
Energy: 0.777437283558738
Energy: 0.8567368803186928
Energy: 0.7780675692527386
Energy: 0.855146501538992
Energy: 0.8021123054551172
Energy: 0.8556910373946237
Energy: 0.8559151962506294
Energy: 0.8021903517492436
Energy: 0.8562796805724522
Energy: 0.85612100409843
Energy: 0.8023880950884794
Energy: 1.0692770883598397
Energy: 0.8023711798535228
Energy: 0.8047956220633277
Energy: 1.0696903334728836
Energy: 0.8025688577960308
Energy: 1.0596819597921092
Energy: 0.8557037913301557
Energy: 0.8712306805257372
Energy: 1.0622144296121365
Energy: 0.8557541883828268
Energy: 0.8711857492073736
Energy: 1.092331829698026
Energy: 0.8439547828459506
Energy: 0.8439047450141128
Energy: 1.0948583840902775
Energy: 0.8440662614388736
Energy: 0.9010717144285482
Energy: 0.8030979585650521
Energy: 0.8436403340338673
Energy: 0.8800033974637946
Energy: 0.8649653613514877
Energy: 0.843463913774313
Energy: 0.8717318817154704
Energy: 0.9621559552227005
Energy: 0.8791961683781024
Energy: 0.9163279179346168
Energy: 0.9884350628932789
Energy: 0.913609972603152
Energy: 0.9160319302066868
Energy: 0.9112792730192498
Energy: 0.9019077136647433
Energy: 0.9084177417431676
Energy: 0.9132293070896551
Energy: 1.092399811437432
Energy: 0.9087371826814168
Energy: 1.1153087617945374
Energy: 0.884063368926668
Energy: 0.9017686755883942
Energy: 1.1180478965688558
Energy: 0.8832690486254807
Energy: 0.901169189738633
Energy: 1.1380991615975744
Energy: 0.938605661836746
Energy: 0.9356824509234062
Energy: 0.9352313726033133
Energy: 1.0551057414620608
Energy: 1.1414215678115422
Energy: 0.84775981507248
Energy: 1.0163135354183683
Energy: 0.9086075948524133
Energy: 0.8895270243899818
Energy: 1.0159777404626706
Energy: 0.8820043686417671
Energy: 1.0503321405567974
Energy: 1.0167517305410279
Energy: 1.0160081012566755
Energy: 1.0504201936992794
Energy: 1.0764512276764329
Energy: 1.000870903283684
Energy: 1.1417556619460456
Energy: 0.9334880494986881
Energy: 0.9014889081945527
Energy: 1.108558711521189
Energy: 1.0271336672030797
Energy: 1.0163290757997654
Energy: 1.165784335893851
Energy: 0.9195750850188923
Energy: 0.9439783531290451
Energy: 1.1679653759656021
Energy: 0.9149523951496779
Energy: 0.9439441298920563
Energy: 1.1630644212960548
Energy: 1.0165985852244463
Energy: 1.016329584413689
Energy: 1.0162359816611153
Energy: 1.0752939098439513
Energy: 1.000725490274763

minimum gb energy = 0.7655898589663638 eV
minimum distance =  2.28153336189284 Angstroms
sigma value = 81


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

Energy: 0.34522256812768853
Energy: 0.13845957729608777
Energy: 0.08219259591806655
Energy: 0.08436966174872317
Energy: 0.6618128010606064
Energy: 0.34588166384751884
Energy: 0.4032745852395573
Energy: 0.6058223222370109
Energy: 0.6057730052120499
Energy: 0.8517960728927163
Energy: 0.6060935690988315
Energy: 0.7374627050023546
Energy: 0.6591422611685528
Energy: 0.08217182484178523
Energy: 0.08225193410973732
Energy: 0.6863185045186478
Energy: 0.08200633818356658
Energy: 0.08180949712229543
Energy: 0.6233218137910863
Energy: 0.08219772247380762
Energy: 0.08236494469533345
Energy: 0.6156269389785841
Energy: 0.0822276490527571
Energy: 0.13967021496036325
Energy: 0.13871648866742564
Energy: 0.6684023217667161
Energy: 0.6677667056191925
Energy: 0.14047042899751608
Energy: 0.6677137808225689
Energy: 0.6594209140686218
Energy: 0.08306430752033768
Energy: 0.6054173991022826
Energy: 0.08229781283835161
Energy: 0.08176520251174542
Energy: 0.6052026735819426
Energy: 0.08212674155893196
Energy: 0.6150446540569879
Energy: 0.6132731995398826
Energy: 0.6132594682766631
Energy: 0.668985836388076
Energy: 0.6131269417783033
Energy: 0.718489238705367
Energy: 0.6778845129481017
Energy: 0.08207502509373756
Energy: 0.08219721710634312
Energy: 0.6709437595257073
Energy: 0.08203691184577203
Energy: 0.08218016428942371
Energy: 0.6066718240906288
Energy: 0.0822309138063973
Energy: 0.1384959415104114
Energy: 0.6357167509936186
Energy: 0.08226963428222828
Energy: 0.13800348192868528
Energy: 0.34588442880611425
Energy: 0.6602244796699066
Energy: 0.6614447696573711
Energy: 0.08205994170382776
Energy: 0.6612189870607881
Energy: 0.6602869855569335

minimum gb energy = 0.08176520251174542 eV
minimum distance =  2.44226398300445 Angstroms
sigma value = 3


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

Energy: 1.0342924515080534
Energy: 1.043880983699002
Energy: 1.060566477560533
Energy: 1.0348419430340576
Energy: 1.0109299907055673
Energy: 1.0359548959301634
Energy: 1.0242783295257762
Energy: 1.0217477288073276
Energy: 1.0204417838777893
Energy: 1.0562024417270304
Energy: 1.0259758277422624
Energy: 1.0199317073560317
Energy: 1.0166012835245803
Energy: 0.9885678916930167
Energy: 0.9885206920587876
Energy: 1.016408013974556
Energy: 0.9888007650619146
Energy: 1.0136344885395434
Energy: 0.9530938628818093
Energy: 0.9885304940282067
Energy: 0.9882390388333934
Energy: 0.9532075591397506
Energy: 0.8611515816024736
Energy: 1.013684549072951
Energy: 0.8788021749917779
Energy: 1.0142646320126054
Energy: 1.0205460656479552
Energy: 0.8787757807777092
Energy: 1.0258552852454725
Energy: 1.0199990855188001
Energy: 1.000314566652426
Energy: 1.0197519448811496
Energy: 1.0181555186256626
Energy: 0.9722862985895936
Energy: 1.020023749600092
Energy: 0.9717663716108735
Energy: 0.9893536887562925
Energy: 0.8856987226175251
Energy: 0.9649711345572807
Energy: 0.9895257528955754
Energy: 0.8897076472053239
Energy: 0.9619959663376978
Energy: 0.9613741427892684
Energy: 0.9781178178259817
Energy: 0.977814284316227
Energy: 0.9621506331776507
Energy: 0.9452466317967235
Energy: 0.9200176208649012
Energy: 0.9827282042258714
Energy: 0.9782629411751795
Energy: 0.9994526368770784
Energy: 1.0038533231401756
Energy: 0.8269386467175577
Energy: 0.9994527407656936
Energy: 0.8309936315991732
Energy: 0.8873248436859205
Energy: 0.8870228941509871
Energy: 0.8310825497250445
Energy: 0.8907494612940077
Energy: 0.8862244244650919
Energy: 0.9777256296410234
Energy: 0.9853134280813602
Energy: 0.9853833863964562
Energy: 0.9508221576881681
Energy: 0.9561807529706571
Energy: 0.9499224035467411
Energy: 0.8330549994414378
Energy: 0.9883540995123686
Energy: 0.9858662329257853
Energy: 0.8307979929058341
Energy: 0.9707102890358655
Energy: 0.8301686850390133
Energy: 0.825707109300945
Energy: 0.9321696555783163
Energy: 0.9529760446332276
Energy: 0.826124577821816
Energy: 0.9319985037258286
Energy: 0.826303332813462
Energy: 0.94406306023901
Energy: 0.7981198379523383
Energy: 0.9555587852650318
Energy: 0.9598931728030157
Energy: 0.7966797230697638
Energy: 0.958872202557022
Energy: 0.9677033195006884
Energy: 0.78883567955728
Energy: 0.7892404966089817
Energy: 0.9683509662848828
Energy: 0.788736768115882
Energy: 0.7890975382059481
Energy: 0.9660738913582656
Energy: 0.9354317352158567
Energy: 0.9395025998889033
Energy: 0.9339058884359533
Energy: 0.9439084566992686
Energy: 0.9347842501054813
Energy: 0.783298321317361
Energy: 0.9352358374406003
Energy: 0.9352705273396923
Energy: 0.7797227495337526
Energy: 0.9351382812077972
Energy: 0.7778291482615932
Energy: 0.7828130867842886
Energy: 0.9304978106828359
Energy: 0.9292308381343004
Energy: 0.7827914809928946
Energy: 0.9311468037880848
Energy: 0.7705301212611967
Energy: 0.9652663940981605
Energy: 0.9357862878155072
Energy: 0.9456548444811803
Energy: 0.9314210858746642
Energy: 0.955929505299592
Energy: 0.9454426023067962
Energy: 0.9570518088832493
Energy: 0.7740964466349253
Energy: 0.7736935253282481
Energy: 0.9494843952186984
Energy: 0.7815367194528593
Energy: 0.7743393739306819
Energy: 0.940094029527388
Energy: 0.9347215334685908
Energy: 0.9367225943776646
Energy: 0.941916363547783
Energy: 0.9664330272838141
Energy: 0.9359042182017147
Energy: 0.8056353263964253
Energy: 0.9341105189285863
Energy: 0.8620877996297094
Energy: 0.8062632561458536
Energy: 0.9624559577501702
Energy: 0.7888825733716608
Energy: 0.7969286961376602
Energy: 0.959569327809406
Energy: 0.9605118121509193
Energy: 0.796908571950985
Energy: 0.9565085685308587
Energy: 0.9574733221898307
Energy: 0.9772659477444605
Energy: 0.8269267238056486
Energy: 0.8263239011876771
Energy: 0.9399718400498067
Energy: 0.8266713349173496
Energy: 0.9379847380391227
Energy: 0.8778617395100706
Energy: 0.8305784010727615
Energy: 0.8304294485031144
Energy: 0.8782719542171714
Energy: 0.8335461235286045
Energy: 0.8305029775923786
Energy: 0.9554022880167589
Energy: 0.9635959472523988
Energy: 0.9632402972492147
Energy: 0.9554143189541736
Energy: 0.9353284638932167
Energy: 0.9848101408503398
Energy: 0.8897444565103233
Energy: 0.963169976878795
Energy: 0.9632814253021198
Energy: 0.889380096679069
Energy: 0.8877587693854752
Energy: 0.8889063478144518
Energy: 0.8502451137410262
Energy: 1.0019507848597906
Energy: 0.9994247708107901
Energy: 0.85024730922728
Energy: 1.0076969199540036
Energy: 0.9987797392350611
Energy: 0.9606945138128213
Energy: 0.9539018669973792
Energy: 0.9599945628700761
Energy: 0.9596123166536766
Energy: 0.9509755397021886
Energy: 0.9593090153563306
Energy: 0.8875224750328773
Energy: 0.9585674155194879
Energy: 0.9579993421865014
Energy: 0.8849332304294752
Energy: 0.9640415663008445
Energy: 1.0355754142839495
Energy: 0.9608422037224973
Energy: 0.9904642050107686
Energy: 0.990170693910599
Energy: 0.9610981232350438
Energy: 0.9513187279236061
Energy: 0.9900558187665026
Energy: 1.0538361863457169
Energy: 0.9904539617295783
Energy: 0.9960638225329281
Energy: 1.022720635557865
Energy: 0.8450475752298163
Energy: 1.0192466769718853
Energy: 0.9047139883252592
Energy: 0.9504749977083721
Energy: 0.9501852385785479
Energy: 0.9049946885242478
Energy: 0.9519711021686118
Energy: 0.9759864068518398

minimum gb energy = 0.7705301212611967 eV
minimum distance =  2.29530513966565 Angstroms
sigma value = 67


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

Energy: 1.2790110306451075
Energy: 1.2630755535995537
Energy: 1.2775465731880027
Energy: 1.2027284249314456
Energy: 1.254389633653105
Energy: 1.2877093953736778
Energy: 1.1655039199782424
Energy: 1.1997530434102264
Energy: 1.1985143783237215
Energy: 1.245152217926044
Energy: 1.2032753874596347
Energy: 1.2261886215030477
Energy: 1.280855385666759
Energy: 1.1700939222869362
Energy: 1.1936996214521642
Energy: 1.198569390354946
Energy: 1.1711516643897588
Energy: 1.1941879766871315
Energy: 1.1560013389398869
Energy: 1.1928446451093835
Energy: 1.1926571868555198
Energy: 1.1569499684283113
Energy: 1.1002752783486844
Energy: 1.1932076348838825
Energy: 1.1097258489624844
Energy: 1.1991704449814335
Energy: 1.2265911815596198
Energy: 1.1096647399478157
Energy: 1.2029738713225784
Energy: 1.2248762250667968
Energy: 1.237058582626731
Energy: 1.198575725697958
Energy: 1.1740920917394464
Energy: 1.1723721660778732
Energy: 1.1986419141521425
Energy: 1.1726205325684194
Energy: 1.1111319316241688
Energy: 1.144410969691154
Energy: 1.1116694997147119
Energy: 1.1111940165481633
Energy: 1.116505492306003
Energy: 1.136998583403337
Energy: 1.1596733419843641
Energy: 1.1643399041404494
Energy: 1.1694322812712465
Energy: 1.1604792977838458
Energy: 1.1640217475745849
Energy: 1.1093641881147291
Energy: 1.1538319368453003
Energy: 1.1973102510162132
Energy: 1.1960377131790045
Energy: 1.1992179605167492
Energy: 1.0148486280182416
Energy: 1.2040047671678145
Energy: 0.9705052882109422
Energy: 1.0235291218773797
Energy: 1.0224564906112683
Energy: 0.9708148076355396
Energy: 1.023450310635733
Energy: 1.015687334303495
Energy: 1.0828490377075703
Energy: 1.1583441070124514
Energy: 1.1800972132339533
Energy: 1.1666664264185076
Energy: 1.1463397566028006
Energy: 1.1706288442185946
Energy: 0.9716161496748565
Energy: 1.1578996241928867
Energy: 1.15515644258975
Energy: 0.9711287317465667
Energy: 1.1575472860875384
Energy: 0.9709814858303755
Energy: 0.9780284519730793
Energy: 1.1525584304402037
Energy: 1.150422934386067
Energy: 0.9769074881950309
Energy: 1.1501364017795825
Energy: 0.9755979953990483
Energy: 1.152851521486139
Energy: 1.0886369520749695
Energy: 1.150382524428135
Energy: 1.1489419261649478
Energy: 1.1708407928003683
Energy: 1.1497275347013212
Energy: 1.1556168544610939
Energy: 0.9830188075621924
Energy: 0.9773771953383479
Energy: 1.15692829275297
Energy: 0.9795232221320148
Energy: 0.9731600949447683
Energy: 1.1371834005556258
Energy: 1.1553849645411887
Energy: 1.1618407797485835
Energy: 1.1623891102433606
Energy: 1.0807641454015695
Energy: 1.1581744108931935
Energy: 1.0374488913888966
Energy: 1.1581423487013192
Energy: 1.153841331422242
Energy: 1.0387246868355722
Energy: 1.150765085482936
Energy: 1.021365147531235
Energy: 1.0159628997652137
Energy: 1.196031309102989
Energy: 1.198343697726801
Energy: 1.0160031944673225
Energy: 1.1690287461797426
Energy: 1.1227321693411207
Energy: 1.1950117326530156
Energy: 1.157335424519098
Energy: 1.1649424634208234
Energy: 1.1773592143432707
Energy: 1.1558917676352862
Energy: 1.173820002714725
Energy: 1.0146659924439392
Energy: 1.118928237782904
Energy: 1.138324494529684
Energy: 1.1150065357825536
Energy: 1.114074399523602
Energy: 1.1373820480789527
Energy: 1.1182578319857692
Energy: 1.2229166902009243
Energy: 1.2219975354771344
Energy: 1.118320576459172
Energy: 0.9816721545726441
Energy: 1.1672847103165653
Energy: 1.2809401924598403
Energy: 1.1669752365276642
Energy: 1.1686049246383239
Energy: 1.1979017969909098
Energy: 1.1699854306454072
Energy: 1.1713399429438087
Energy: 1.165741061399078
Energy: 1.116573824938704
Energy: 1.1988732331445981
Energy: 1.1657314467127395
Energy: 1.1152219018932108
Energy: 1.2257486901303154

minimum gb energy = 0.9705052882109422 eV
minimum distance =  2.28923710791581 Angstroms
sigma value = 33


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

Energy: 1.8690307523824197
Energy: 1.4012850220328639
Energy: 1.3997200504034508
Energy: 1.394360130289359
Energy: 1.4938073303238761
Energy: 1.3973390708824969
Energy: 1.2641354307701222
Energy: 1.3093669248906663
Energy: 1.3092273880775256
Energy: 1.375137150759129
Energy: 1.3141441022845382
Energy: 1.3439511070679684
Energy: 1.3928185513738292
Energy: 1.3394552297809956
Energy: 1.3392609331148084
Energy: 1.393291307349469
Energy: 1.3405381995943362
Energy: 1.3393719921381553
Energy: 1.2117103849076067
Energy: 1.3404100036842972
Energy: 1.3405358090762727
Energy: 1.2116757983707123
Energy: 1.1936918127771654
Energy: 1.3389698495644735
Energy: 1.196778036408133
Energy: 1.3093361816562248
Energy: 1.3469625267406375
Energy: 1.1967734005398303
Energy: 1.3126804574166155
Energy: 1.3439547311739897
Energy: 1.2103568497578086
Energy: 1.3719787218308044
Energy: 1.3441566844556558
Energy: 1.3252046005941565
Energy: 1.3726780775590082
Energy: 1.3238062886015434
Energy: 1.197278138415817
Energy: 1.3488245582006113
Energy: 1.3475344980214805
Energy: 1.1970973581246023
Energy: 1.3466145886407621
Energy: 1.2318901568502882
Energy: 1.2112296060746524
Energy: 1.3102487627608135
Energy: 1.3100240359990454
Energy: 1.2113756354814638
Energy: 1.3111800275293355
Energy: 1.2442727111814553
Energy: 1.277370538049652
Energy: 1.3113010055773822
Energy: 1.3129183041238874
Energy: 1.3045010852082706
Energy: 1.0994452504266
Energy: 1.3078283134448532
Energy: 1.2854565270978788
Energy: 1.0995546845391908
Energy: 1.099430630299237
Energy: 1.2868663795527722
Energy: 1.1010368358818723
Energy: 1.0990278883120905
Energy: 1.1977000516263936
Energy: 1.2144180025489084
Energy: 1.2818210349706656
Energy: 1.2809554531849423
Energy: 1.1911672539122398
Energy: 1.2835739163932187
Energy: 1.0986647104479161
Energy: 1.2846387649848
Energy: 1.284574280248675
Energy: 1.0976568656587877
Energy: 1.2707240317305537
Energy: 1.0983340524865302
Energy: 1.0973747436517438
Energy: 1.304232200694596
Energy: 1.3056497570444332
Energy: 1.09734721402887
Energy: 1.280681229842571
Energy: 1.0978080598176283
Energy: 1.076346181406332
Energy: 1.3201901491291181
Energy: 1.3029805118126698
Energy: 1.2879223190458775
Energy: 1.3374393753836675
Energy: 1.291451255611734
Energy: 1.1808394427784643
Energy: 1.1969541416921632
Energy: 1.2357076563622027
Energy: 1.1808948396482273
Energy: 1.1998215560036516
Energy: 1.2326430389313505
Energy: 1.2047208087509764
Energy: 1.3318467707913024
Energy: 1.331622983468231
Energy: 1.2320598004915064
Energy: 1.124493994094498
Energy: 1.2347789226343686
Energy: 1.3928911043735588
Energy: 1.3308438471381345
Energy: 1.3308766205489817
Energy: 1.3261804658092315
Energy: 1.3526535031520677
Energy: 1.330393907396977
Energy: 1.3753001746876654
Energy: 1.3094925067931906
Energy: 1.3090812876360123
Energy: 1.3752251008424634
Energy: 1.3111543386766482
Energy: 1.326199278572207
Energy: 1.3436238867933161
Energy: 1.327763697058702
Energy: 1.3484743470338665
Energy: 1.35481724334816
Energy: 1.3274676234352363
Energy: 1.31576202133063
Energy: 1.2641276142474316
Energy: 1.3092142878792967
Energy: 1.3091755950252078
Energy: 1.264240846694439
Energy: 1.3136378215918316
Energy: 1.3094594277933045
Energy: 1.3929049133808815
Energy: 1.3407576765987652
Energy: 1.3403558530797208
Energy: 1.3942035748379906
Energy: 1.3210420387544632
Energy: 1.3408354041997068
Energy: 1.329057579963165
Energy: 1.3394089747966722
Energy: 1.3395620509838153
Energy: 1.3276824964696596
Energy: 1.340524895620163
Energy: 1.3397949662988435
Energy: 1.1970677925622832
Energy: 1.3095471473660967
Energy: 1.347272277292518
Energy: 1.1971634112588312
Energy: 1.3140483459746206
Energy: 1.3441672914551206
Energy: 1.099176948921989
Energy: 1.3726630904286008
Energy: 1.3449703265367172
Energy: 1.3250322981414109
Energy: 1.3714320675496845
Energy: 1.2973148806687125
Energy: 1.197170783699303
Energy: 1.3490266405606732
Energy: 1.3473254327720585
Energy: 1.1972097806537372
Energy: 1.3464400103418728
Energy: 1.3479087727333332
Energy: 1.2118120200866414
Energy: 1.3104619570697105
Energy: 1.3107449158119937
Energy: 1.213571666475911
Energy: 1.3107808649491275
Energy: 1.2332145286386258
Energy: 1.2828901060344118
Energy: 1.3102250528945096
Energy: 1.310290670782701
Energy: 1.2854302318353197
Energy: 1.0992913112911928
Energy: 1.3209016791123211
Energy: 1.2826655743889561
Energy: 1.0995278650390234
Energy: 1.0994315789176698
Energy: 1.2846461736024573
Energy: 1.1019549798584363
Energy: 1.0986418114096217
Energy: 1.1961541688146597
Energy: 1.19087661310367
Energy: 1.2831234843273862
Energy: 1.2834352169913246
Energy: 1.1913669144511978
Energy: 1.2840850235217816
Energy: 1.097239006943238
Energy: 1.2821689355066088
Energy: 1.282271382888241
Energy: 1.0972288098646712
Energy: 1.2722353230586179
Energy: 1.0983853417825156
Energy: 1.0995139656180095
Energy: 1.3033233653501788
Energy: 1.2150961375421487
Energy: 1.0980106018680027
Energy: 1.2810146477838165
Energy: 1.098272448132374
Energy: 1.0697226335951973
Energy: 1.3102224800700493
Energy: 1.3219495543898383
Energy: 1.2838140106559437
Energy: 1.338201131182786
Energy: 1.2901968087153435
Energy: 1.07068401534416
Energy: 1.1981848426575639
Energy: 1.23237570034337
Energy: 1.0706892487548167
Energy: 1.2136987997115471
Energy: 1.2328531852600249
Energy: 1.211063928238006
Energy: 1.2473453532056598
Energy: 1.2318423637382159
Energy: 1.232493331551765
Energy: 1.1243544571103594
Energy: 1.2355878376973701
Energy: 1.3854327484873188
Energy: 1.3531915567928607
Energy: 1.3522124403464486
Energy: 1.3879270267897246
Energy: 1.2865141391986743
Energy: 1.3172952347736875
Energy: 1.3753896276351418
Energy: 1.3092182834377435
Energy: 1.3120984813197791
Energy: 1.3755431101468625
Energy: 1.3101258053020777
Energy: 1.3439229580387557
Energy: 1.3431004537425024
Energy: 1.3267584784295332
Energy: 1.3457670252312484
Energy: 1.354197122418343
Energy: 1.3276988393577829
Energy: 1.3157911890423692

minimum gb energy = 1.0697226335951973 eV
minimum distance =  2.29202730436752 Angstroms
sigma value = 41


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

Energy: 1.736544557378191
Energy: 1.5667853738204678
Energy: 1.560481851766225
Energy: 1.738942266941464
Energy: 1.9959956221632638
Energy: 1.5601459947040124
Energy: 1.3382213047115628
Energy: 1.4217583809411607
Energy: 1.4207116194053122
Energy: 1.484770767917847
Energy: 1.5347689416907575
Energy: 1.42077542177505
Energy: 1.5309289358257638
Energy: 1.470990787182153
Energy: 1.470903817933134
Energy: 1.4232676562719047
Energy: 1.4710582729237753
Energy: 1.4169926918549163
Energy: 1.4282064079343941
Energy: 1.470425672467902
Energy: 1.4705483819193539
Energy: 1.428746331113483
Energy: 1.2765749730655902
Energy: 1.421341681319525
Energy: 1.2788390173706832
Energy: 1.4226644141584945
Energy: 1.4213303416912344
Energy: 1.2788140164841608
Energy: 1.4240307911778427
Energy: 1.4770513964148582
Energy: 1.4649500427606381
Energy: 1.478360986403125
Energy: 1.4763142259827402
Energy: 1.4657461698861975
Energy: 1.487018383526214
Energy: 1.4769547167576087
Energy: 1.2777806440867325
Energy: 1.4783522146854782
Energy: 1.474764617984819
Energy: 1.2778147780402567
Energy: 1.4771118408342807
Energy: 1.2798945638411199
Energy: 1.28152599398767
Energy: 1.4530776847541924
Energy: 1.338642058794618
Energy: 1.2825535517002016
Energy: 1.4505604317602108
Energy: 1.2790847841525204
Energy: 1.4446627359429596
Energy: 1.458710479509845
Energy: 1.4523192708201917
Energy: 1.4520385170003403
Energy: 1.3372738307688592
Energy: 1.4509945374177706
Energy: 1.3612387618225203
Energy: 1.2798615365861252
Energy: 1.279154070365911
Energy: 1.3546191212459147
Energy: 1.2810485290469802
Energy: 1.3376956596405167
Energy: 1.468711918774823
Energy: 1.2792916367406044
Energy: 1.4762841046211834
Energy: 1.474642494900245
Energy: 1.2145167088180748
Energy: 1.477501021351714
Energy: 1.458890330583191
Energy: 1.4471642221633423
Energy: 1.4470147975655527
Energy: 1.4594968185039068
Energy: 1.4468889923969157
Energy: 1.398639947047204
Energy: 1.4861325913466112
Energy: 1.4197453389237604
Energy: 1.4209589062819783
Energy: 1.4813162864918767
Energy: 1.420810474826494
Energy: 1.4226904579437347
Energy: 1.4772447140449256
Energy: 1.4218289424890602
Energy: 1.484507496380836
Energy: 1.4772803184980243
Energy: 1.422239171112065
Energy: 1.4818882464367138

minimum gb energy = 1.2145167088180748 eV
minimum distance =  2.31996927232978 Angstroms
sigma value = 11


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

Energy: 2.1432240491767454
Energy: 1.6469026054654143
Energy: 1.7329879385510443
Energy: 1.6355849983398452
Energy: 1.6489240815053552
Energy: 1.7859280094297918
Energy: 1.6321519680751022
Energy: 1.4074094485520163
Energy: 1.4074589858617004
Energy: 1.711801101168909
Energy: 1.4414183715949707
Energy: 1.4083464878778114
Energy: 1.7029588541773661
Energy: 1.5522728809688857
Energy: 1.5011115817677474
Energy: 1.7028897791821962
Energy: 1.5175556396380245
Energy: 1.504734564734094
Energy: 1.5481210424433978
Energy: 1.5572695096201723
Energy: 1.5656597013104334
Energy: 1.5490278199907728
Energy: 1.3789456300284753
Energy: 1.5664190739260404
Energy: 1.503154589651209
Energy: 1.4067587640487702
Energy: 1.4065472782273876
Energy: 1.5034564626023612
Energy: 1.4067438316097725
Energy: 1.4071275136198829
Energy: 1.6775235974647957
Energy: 1.439193139111654
Energy: 1.5262751713076812
Energy: 1.5069539398910194
Energy: 1.439297892556771
Energy: 1.5709543378641098
Energy: 1.4392539026894964
Energy: 1.5498654889057135
Energy: 1.5235968466779881
Energy: 1.439318278934291
Energy: 1.5294167811080122
Energy: 1.522746135737589
Energy: 1.4413961399409547
Energy: 1.5279895599901996
Energy: 1.4086028061782265
Energy: 1.4416066816404174
Energy: 1.5041995927322214
Energy: 1.4063106899781566
Energy: 1.4161729047191218
Energy: 1.5052424002000955
Energy: 1.5043839290923713
Energy: 1.3969666961627099
Energy: 1.6309502079048133
Energy: 1.546414512529283
Energy: 1.4157847777780532
Energy: 1.505187960600007
Energy: 1.504749736861327
Energy: 1.4161684856473347
Energy: 1.504416106680616
Energy: 1.5363702514912434
Energy: 1.4415691234774803
Energy: 1.5259040678859475
Energy: 1.4586048368262434
Energy: 1.4413996012381822
Energy: 1.442173217191013
Energy: 1.4081726066482414
Energy: 1.420553757625309
Energy: 1.5219838280123121
Energy: 1.5023763118187536
Energy: 1.4217012803951707
Energy: 1.5171976607791808
Energy: 1.5027971526699695
Energy: 1.406231767182603
Energy: 1.5036107577789692
Energy: 1.50430758126835
Energy: 1.4063255619157593
Energy: 1.6653608493248881
Energy: 1.458787515161592
Energy: 1.4682470943964459
Energy: 1.5045821786069444
Energy: 1.5046642933924974
Energy: 1.5115543923565395
Energy: 1.7635484179371204
Energy: 1.5044460568597384
Energy: 1.382719045974327
Energy: 1.5249922924662613
Energy: 1.5251983285052986
Energy: 1.3827577672548603
Energy: 1.505569717759451
Energy: 1.5475108145289178
Energy: 1.383676143910471
Energy: 1.5301996147536836
Energy: 1.38155019510288
Energy: 1.3850307373410555
Energy: 1.5477243855903196
Energy: 1.3812480724237168
Energy: 1.3811796443746434
Energy: 1.5597158850020962
Energy: 1.5624670996927272
Energy: 1.381193739974157
Energy: 1.5455948390862493
Energy: 1.5719261407551812
Energy: 1.7428016156889206
Energy: 1.566352084468575
Energy: 1.5377513208056386
Energy: 1.6035703462573
Energy: 1.5675221464426903
Energy: 1.4829032409751655
Energy: 1.4437708934403521
Energy: 1.4449938140292935
Energy: 1.4445951491185658
Energy: 1.4438643771532376
Energy: 1.5672640770292297
Energy: 1.4925335473763965
Energy: 1.5247877352821348
Energy: 1.587941573339409
Energy: 1.5334789506693263
Energy: 1.526437651530089
Energy: 1.5578027458831736
Energy: 1.4699102624291986
Energy: 1.5695810949549112
Energy: 1.5956456525350673
Energy: 1.4652757183077794
Energy: 1.5715664128037226
Energy: 1.3812194065601726
Energy: 1.505992036250017
Energy: 1.4396611258868857
Energy: 1.4453319989864257
Energy: 1.4450576174336283
Energy: 1.405018709881994
Energy: 1.4890060646173888
Energy: 1.445855208227617
Energy: 1.4966981222234206
Energy: 1.534837946034772
Energy: 1.500063770057057
Energy: 1.5494916418370186
Energy: 1.5270279400284739
Energy: 1.5003522542153889
Energy: 1.5667803929194315
Energy: 1.4447464074014287
Energy: 1.5203027763043453
Energy: 1.5666632742039643
Energy: 1.4442449537832014
Energy: 1.462705737151622
Energy: 1.567347187293139
Energy: 1.5492633700157716
Energy: 1.5280242138933458
Energy: 1.5689570991233697
Energy: 1.6543540311507814
Energy: 1.5284952728693106
Energy: 1.5733541309278203
Energy: 1.380592156719369
Energy: 1.5617508654920227
Energy: 1.5425936634845432
Energy: 1.38153916766189
Energy: 1.5800975926352614
Energy: 1.550315952555522
Energy: 1.381958848478902
Energy: 1.3812240301675116
Energy: 1.5496136547219042
Energy: 1.3823842041518186
Energy: 1.3812486823805277
Energy: 1.5475361656071769
Energy: 1.3816742939803215
Energy: 1.5488676149755947
Energy: 1.5246564941834222
Energy: 1.383338270224107
Energy: 1.5478199443515654
Energy: 1.7703728775398733
Energy: 1.5130670527734953
Energy: 1.492755968611918
Energy: 1.7114701196284827
Energy: 1.5138295075961523
Energy: 1.4931378382706244
Energy: 1.7113283143735936
Energy: 1.4061452225769469
Energy: 1.4592079983174295
Energy: 1.712954653098053
Energy: 1.4060312683489717
Energy: 1.5448928259036576
Energy: 2.1471052599312523
Energy: 1.431235155105633
Energy: 1.4700819481342013
Energy: 1.563295424620397
Energy: 1.4225896379302412
Energy: 1.4705557128399236

minimum gb energy = 1.3789456300284753 eV
minimum distance =  2.30904775671597 Angstroms
sigma value = 57


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

Energy: 1.9357813700465363
Energy: 1.6639452926063913
Energy: 1.695217382286258
Energy: 1.9392800538759953
Energy: 2.1308626246058577
Energy: 1.6989826021105805
Energy: 1.3456259745045498
Energy: 1.415351897577373
Energy: 1.3856259059179188
Energy: 1.547694964740935
Energy: 1.551649448028884
Energy: 1.4036460646687163
Energy: 1.512854953126693
Energy: 1.3995129249484721
Energy: 1.3772896170087667
Energy: 1.5126616529828671
Energy: 1.408535501113036
Energy: 1.3847073694590832
Energy: 1.511816477268849
Energy: 1.4038977621802529
Energy: 1.3800824972593517
Energy: 1.5137460533250975
Energy: 1.4065478233554398
Energy: 1.3811599036925235
Energy: 1.4127956015362213
Energy: 1.3810648899933469
Energy: 1.3817247892733873
Energy: 1.4129917316506837
Energy: 1.379660118439821
Energy: 1.379397671359947
Energy: 1.4612703694959406
Energy: 1.4016850506360614
Energy: 1.4012850066016846
Energy: 1.4156018623095918
Energy: 1.5121822316647118
Energy: 1.4143931978503375
Energy: 1.513080287451803
Energy: 1.4463857201717882
Energy: 1.4469755218686817
Energy: 1.5150133918897624
Energy: 1.4501876150527593
Energy: 1.4009605910504042
Energy: 1.547567555544624
Energy: 1.4047407273694292
Energy: 1.3833948670069243
Energy: 1.5495394090267478
Energy: 1.4138000478062316
Energy: 1.381828317581072
Energy: 1.3461010757378018
Energy: 1.379214702923766
Energy: 1.3479272327677252
Energy: 1.3520991847878505
Energy: 1.513664894205768
Energy: 1.347116658625645
Energy: 1.3461465389837435
Energy: 1.3791528954645782
Energy: 1.3477715515000923
Energy: 1.4277119547338866
Energy: 1.5191023836548603
Energy: 1.3468692396011772
Energy: 1.5476162770477688
Energy: 1.4037734366612664
Energy: 1.404544712795269
Energy: 1.5495534636443073
Energy: 1.4136454466543238
Energy: 1.3824255507419707
Energy: 1.506662430364614
Energy: 1.5767496501689344
Energy: 1.5779801350076494
Energy: 1.507779068490914
Energy: 1.6930321211261863
Energy: 1.3795087162827078
Energy: 1.4128066875624266
Energy: 1.4149153971814157
Energy: 1.4150215760217097
Energy: 1.4147321863946758
Energy: 1.4163518746846002
Energy: 1.532582027094741
Energy: 1.6990988273669625
Energy: 1.3810555976347951
Energy: 1.3793955068108552
Energy: 1.415492815919155
Energy: 1.516362606967353
Energy: 1.3796594275937382
Energy: 1.512052223729078
Energy: 1.447235953957577
Energy: 1.3830557488582327
Energy: 1.512196330383506
Energy: 1.4481671484303948
Energy: 1.381174819823281
Energy: 1.5218399412952994
Energy: 1.447169016962776
Energy: 1.4273721806591715
Energy: 1.5220914496556952
Energy: 1.4474837509978415
Energy: 1.3849817923819958
Energy: 1.3455958869653555
Energy: 1.4137917598723564
Energy: 1.4146713253100898
Energy: 1.345711227028763
Energy: 1.4158542639603329
Energy: 1.414366429033541

minimum gb energy = 1.3455958869653555 eV
minimum distance =  2.31503435193722 Angstroms
sigma value = 9


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

Energy: 2.261088261086271
Energy: 1.614812017755
Energy: 1.6224970919979536
Energy: 1.4945851764437759
Energy: 1.546173690513784
Energy: 1.5310520587128371
Energy: 1.6112330189045763
Energy: 1.5203955445455868
Energy: 1.4882299095725466
Energy: 1.57685594344281
Energy: 1.5370346467624616
Energy: 1.4997138149957125
Energy: 1.5428211570354349
Energy: 1.6317485685393227
Energy: 1.5015132654335939
Energy: 1.5442440376040787
Energy: 1.5253766619615756
Energy: 1.6055512328112072
Energy: 1.4847203017557185
Energy: 1.5078339234275968
Energy: 1.4863137631182302
Energy: 1.4844636737779655
Energy: 1.499373517552352
Energy: 1.5059967661974343
Energy: 1.5394190405287949
Energy: 1.4585558524419395
Energy: 1.4984437997476947
Energy: 1.5394169206732218
Energy: 1.5198133062884946
Energy: 1.5103907260741454
Energy: 1.4786944259923214
Energy: 1.4718396812813213
Energy: 1.467272862128406
Energy: 1.480595838040525
Energy: 1.516989579726755
Energy: 1.4666766878545843
Energy: 1.4934613884909431
Energy: 1.5769413844387747
Energy: 1.530843998078617
Energy: 1.4942954998140698
Energy: 1.5046887640650943
Energy: 1.5263430276002852
Energy: 1.5717663832278665
Energy: 1.463059508585773
Energy: 1.4723428821033704
Energy: 1.5732245852220774
Energy: 1.465058787031373
Energy: 1.4741844123496934
Energy: 1.6803042515693936
Energy: 1.5440247355833578
Energy: 1.5146538201309279
Energy: 1.528276435124975
Energy: 1.5600984943048724
Energy: 1.5109710570324741
Energy: 1.5940527381477085
Energy: 1.5130522286600467
Energy: 1.514699072233407
Energy: 1.5522741887819003
Energy: 1.4948173577019825
Energy: 1.4984628325314064
Energy: 1.5721592910997488
Energy: 1.467699932621693
Energy: 1.467764777403721
Energy: 1.5739821105861553
Energy: 1.4667613200639709
Energy: 1.4779904291967099
Energy: 1.5350982850513115
Energy: 1.4883680712304055
Energy: 1.502516265889333
Energy: 1.5366175074076776
Energy: 1.5159851973185947
Energy: 1.5099656179103145
Energy: 1.7530297790072302
Energy: 1.564845611079775
Energy: 1.6041762637716896
Energy: 1.4816561327585027
Energy: 1.5686344187159407
Energy: 1.6839504051192753
Energy: 1.6035458259079356
Energy: 1.5066189155697243
Energy: 1.5068709212480664
Energy: 1.6039494607915812
Energy: 1.5546372245654103
Energy: 1.4856423956924092
Energy: 1.5343892838726332
Energy: 1.4637904572301608
Energy: 1.4638525217721525
Energy: 1.5349401439673613
Energy: 1.5259110889962655
Energy: 1.518538466743884
Energy: 1.5150086723291325
Energy: 1.4921116458946984
Energy: 1.5108070878305775
Energy: 1.5145096853830777
Energy: 1.5626540136720448
Energy: 1.5139586406773542
Energy: 1.5049584517483217
Energy: 1.5018896984469314
Energy: 1.4860311296054574
Energy: 1.505571187332201
Energy: 1.534346415883264
Energy: 1.4860753626212526
Energy: 1.649551170437278
Energy: 1.5972440462658994
Energy: 1.612841399019778
Energy: 1.6514442504221476
Energy: 1.5891214813812635
Energy: 1.6145375505083845
Energy: 1.509077760059944
Energy: 1.4880100334729152
Energy: 1.501185350493871
Energy: 1.5091324693476378
Energy: 1.5696879710082003
Energy: 1.4981597065862675
Energy: 1.505214896720014
Energy: 1.487906077968673
Energy: 1.4870132120780473
Energy: 1.5053284554804032
Energy: 1.5245506531416209
Energy: 1.5031534399090252
Energy: 1.527876316773226
Energy: 1.522366062577379
Energy: 1.518772435612699
Energy: 1.4690787839849866
Energy: 1.5194397749835888
Energy: 1.5060110549759878

minimum gb energy = 1.4585558524419395 eV
minimum distance =  2.28145791940243 Angstroms
sigma value = 27


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

Energy: 1.9237070750374679
Energy: 1.5691756534373271
Energy: 1.7406532970430475
Energy: 1.736657633010371
Energy: 2.007056136156178
Energy: 1.5674384204483125
Energy: 1.565536628228948
Energy: 1.5829840293470154
Energy: 1.6008642598857967
Energy: 1.6143353446730153
Energy: 1.5779620793599498
Energy: 1.5302238911180275
Energy: 1.6560594155051513
Energy: 1.665207616527782
Energy: 1.5223279373456122
Energy: 1.4744261234741705
Energy: 1.483632345916389
Energy: 1.6498938885714165
Energy: 1.7063983679128791
Energy: 1.648473455194269
Energy: 1.6220441144022462
Energy: 1.5843249524592133
Energy: 1.4641960184438318
Energy: 1.6368816832321793
Energy: 1.4934827236684707
Energy: 1.5788653633564242
Energy: 1.6196381502781378
Energy: 1.4872163773268248
Energy: 1.674816832908181
Energy: 1.5648811469896438
Energy: 1.6752491915821515
Energy: 1.5794381790481489
Energy: 1.5769712890888299
Energy: 1.6540296762492306
Energy: 1.6428914620326103
Energy: 1.5758892431543043
Energy: 1.6880278198886545
Energy: 1.568018166272614
Energy: 1.5669632384657608
Energy: 1.4990781552112347
Energy: 1.6651916416222183
Energy: 1.56655679935203
Energy: 1.6547020226960938
Energy: 1.581989100215855
Energy: 1.5745168227075492
Energy: 1.641851938531031
Energy: 1.5567733516030475
Energy: 1.6732274154445321
Energy: 1.7404011361866158
Energy: 1.6468792268474541
Energy: 1.5909613075144844
Energy: 1.5744971197716697
Energy: 1.6476165442316857
Energy: 1.5965173914653483
Energy: 1.7405388107324753
Energy: 1.5555279534393334
Energy: 1.5595622187793126
Energy: 1.5750864887496545
Energy: 1.5543636054870447
Energy: 1.5567396314404893
Energy: 1.685579066453122
Energy: 1.5924009588381198
Energy: 1.704070649882944
Energy: 1.6645455365203994
Energy: 1.4835841761502364
Energy: 1.6166329378365858
Energy: 1.5760117184967055
Energy: 1.5215473599953788
Energy: 1.5324986712168465
Energy: 1.5761650082409835
Energy: 1.4969757309211298
Energy: 1.5324839095505862
Energy: 1.608966203645674
Energy: 1.605992199654805
Energy: 1.613306907066051
Energy: 1.6107316488058143
Energy: 1.60278557110053
Energy: 1.6129056630358505
Energy: 1.6710121461136884
Energy: 1.6086112386075015
Energy: 1.6219908502755076
Energy: 1.600134906935978
Energy: 1.602604554576243
Energy: 1.5924284542343894
Energy: 1.5753033216483503
Energy: 1.5215454682132188
Energy: 1.5324751713733233
Energy: 1.5773581377998165
Energy: 1.522584330581445
Energy: 1.5404068991736777
Energy: 1.6282219121212205
Energy: 1.5616697408660136
Energy: 1.5741719298322472
Energy: 1.5836685345454342
Energy: 1.5501047957933811
Energy: 1.5732734440855838
Energy: 1.5051075812358814
Energy: 1.5935423094576269
Energy: 1.5928020565582168
Energy: 1.4956735068620797
Energy: 1.6197403547565261
Energy: 1.5902250456681717
Energy: 1.610742168444099
Energy: 1.6108450778895107
Energy: 1.582668547485929
Energy: 1.5849618199045494
Energy: 1.64471213389685
Energy: 1.5773909803750497
Energy: 1.6411581363287215
Energy: 1.5449757710188357
Energy: 1.5453325596472762
Energy: 1.62758845941959
Energy: 1.555353919074513
Energy: 1.5420353392025854
Energy: 1.7013317443204676
Energy: 1.5680647013090512
Energy: 1.5421822203964608
Energy: 1.5020605741887438
Energy: 1.555467469361639
Energy: 1.5419906669682124
Energy: 1.8239708244604027
Energy: 1.6284392783530062
Energy: 1.6574869925766378
Energy: 1.6637448304849038
Energy: 1.654039401409382
Energy: 1.6414286740896857
Energy: 1.4880283363828626
Energy: 1.6053652539212784
Energy: 1.5954169399624256
Energy: 1.4823822127943593
Energy: 1.6060978103763117
Energy: 1.5472991134402907
Energy: 1.8433873335648607
Energy: 1.6497252513994778
Energy: 1.6273881894955944
Energy: 1.693822454868041
Energy: 1.6295037999242408
Energy: 1.6504130922733495
Energy: 1.6562968657348338
Energy: 1.6319560286810986
Energy: 1.5072521344219454
Energy: 1.4746502411758804
Energy: 1.6063050216242964
Energy: 1.647503103514279
Energy: 1.6076600096030023
Energy: 1.628407984165391
Energy: 1.607307640002114
Energy: 1.5250361386371198
Energy: 1.6203674863261615
Energy: 1.5537918635543138

minimum gb energy = 1.4641960184438318 eV
minimum distance =  2.24754370601954 Angstroms
sigma value = 19


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

Energy: 2.180007363222769
Energy: 1.5816800556562867
Energy: 1.5898936300471742
Energy: 1.5066566043651237
Energy: 1.5625899553356792
Energy: 1.5451975640056042
Energy: 1.6411811201490742
Energy: 1.5281916436371037
Energy: 1.5226576229606434
Energy: 1.735883811165586
Energy: 1.5212397096745052
Energy: 1.5237493815083702
Energy: 1.5286963618426717
Energy: 1.4176500666046106
Energy: 1.4880784725035958
Energy: 1.5281654479484492
Energy: 1.4182489598975996
Energy: 1.4948915897934452
Energy: 1.5220255318414433
Energy: 1.5276397417007632
Energy: 1.5280902985474107
Energy: 1.5207799240218487
Energy: 1.5253066574244596
Energy: 1.5261328781141645
Energy: 1.4346280463045493
Energy: 1.521935100586833
Energy: 1.5192897975169335
Energy: 1.4363834015634565
Energy: 1.5294106967056056
Energy: 1.4942000534764255
Energy: 1.5676579088223297
Energy: 1.5277693959192538
Energy: 1.5285669005567186
Energy: 1.5612964756535674
Energy: 1.6173039089399077
Energy: 1.5270130368206298
Energy: 1.5112386346682185
Energy: 1.5305720159049403
Energy: 1.5334009500102015
Energy: 1.5265873182066685
Energy: 1.5216807199453888
Energy: 1.5028867972487354
Energy: 1.5207016863696667
Energy: 1.4957648947341335
Energy: 1.5222529354056515
Energy: 1.5269494279881066
Energy: 1.5377707656168416
Energy: 1.5196987178569343
Energy: 1.4182045843636713
Energy: 1.5015367404409974
Energy: 1.490940513684504
Energy: 1.417137278318526
Energy: 1.5288010841687327
Energy: 1.494854131084971
Energy: 1.4165097322361297
Energy: 1.5073270271033143
Energy: 1.5057400354045722
Energy: 1.4175520110685798
Energy: 1.492011408257588
Energy: 1.5063676536341264
Energy: 1.5211804711920676
Energy: 1.394437738540233
Energy: 1.3995555142443752
Energy: 1.5213200833028397
Energy: 1.3944291866595881
Energy: 1.397259382883244
Energy: 1.599157727255554
Energy: 1.5082859311108827
Energy: 1.5106181657951039
Energy: 1.6009347265796654
Energy: 1.512404581237089
Energy: 1.508738702877274
Energy: 1.489699817881775
Energy: 1.499765865915595
Energy: 1.5084567955289279
Energy: 1.4489035803637698
Energy: 1.5245609540458755
Energy: 1.5022911372052077
Energy: 1.5744778400739974
Energy: 1.5068110631079148
Energy: 1.5080566208085033
Energy: 1.4756257900309238
Energy: 1.5115055971527738
Energy: 1.4973659217180582
Energy: 1.5034399322154886
Energy: 1.395501390131546
Energy: 1.4890435891147804
Energy: 1.5029934634782995
Energy: 1.3928546579420895
Energy: 1.4894220954548454
Energy: 1.5431136921878594
Energy: 1.4881717531718703
Energy: 1.4887309265261468
Energy: 1.5390429329080841
Energy: 1.393651873415813
Energy: 1.487423779671712
Energy: 1.4610523724931046
Energy: 1.4861710549714342
Energy: 1.5287571444245738
Energy: 1.3919624245152509
Energy: 1.4856703079644002
Energy: 1.5110126894154543
Energy: 1.5391697635919552
Energy: 1.496024301802709
Energy: 1.4955184955104759
Energy: 1.480409933361508
Energy: 1.5449850634857092
Energy: 1.4868337091427322
Energy: 1.5308055742292828
Energy: 1.460810535070705
Energy: 1.5274519004448215
Energy: 1.5324405482587213
Energy: 1.4660816307675157
Energy: 1.5071070824223787
Energy: 1.5151944803203652
Energy: 1.5447162875506832
Energy: 1.5276093508639579
Energy: 1.5171312972140587
Energy: 1.3899674537414082
Energy: 1.5072170455788358
Energy: 1.3976813010577602
Energy: 1.4954182818716175
Energy: 1.4933774901476664
Energy: 1.3980089564379181
Energy: 1.503369826569831
Energy: 1.4913329552823988
Energy: 1.4406649773897364
Energy: 1.513083091564017
Energy: 1.5074171743204663
Energy: 1.439702365297028
Energy: 1.54420092933693
Energy: 1.4982917073259938
Energy: 1.4974646590812883
Energy: 1.5079783085692127
Energy: 1.528928467731204
Energy: 1.4974304298855836
Energy: 1.5022058342461275
Energy: 1.4884952668036402
Energy: 1.519674096739966
Energy: 1.4900476844872073
Energy: 1.4832144601910735
Energy: 1.520045260781455
Energy: 1.3841034764308289
Energy: 1.490891773753354
Energy: 1.4953016889431865
Energy: 1.505054251518119
Energy: 1.5106026129897219
Energy: 1.4589634554896345
Energy: 1.5033075527436013
Energy: 1.5116871888781191
Energy: 1.4497075296526454
Energy: 1.5208373081847493
Energy: 1.5285146143243478
Energy: 1.4142703559807535
Energy: 1.5198855971152558
Energy: 1.5179366072982148
Energy: 1.5117737752053646
Energy: 1.5047016838870808
Energy: 1.4985127449678541
Energy: 1.5117338331762609
Energy: 1.4189697732856694
Energy: 1.4970901941749508
Energy: 1.527532021668815
Energy: 1.5047461994334255
Energy: 1.5112084334483453
Energy: 1.5281334903442818
Energy: 1.4176480010856267
Energy: 1.5126313231325221
Energy: 1.5141031070184756
Energy: 1.5573689578608583
Energy: 1.5584500906498255
Energy: 1.3823303993698017
Energy: 1.5287259018767274
Energy: 1.4799125500621446

minimum gb energy = 1.3823303993698017 eV
minimum distance =  2.28221809955609 Angstroms
sigma value = 101


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

Energy: 1.9909206426036081
Energy: 1.5199389762411817
Energy: 1.4937572785640696
Energy: 1.8682715415051312
Energy: 1.516698288738791
Energy: 1.8706579389083482
Energy: 1.5333016168017612
Energy: 1.4892303136040594
Energy: 1.4733705612649688
Energy: 1.5932367025328418
Energy: 1.4928576172163126
Energy: 1.472987092377142
Energy: 1.5201633615185821
Energy: 1.3510166834431798
Energy: 1.347907466145831
Energy: 1.5205241083208627
Energy: 1.3504049077620455
Energy: 1.3472289679180867
Energy: 1.4916305798119702
Energy: 1.4749466420608242
Energy: 1.4706045285795464
Energy: 1.492707058465681
Energy: 1.470982759814942
Energy: 1.4696666034495174
Energy: 1.3677762254315178
Energy: 1.501700582664182
Energy: 1.4683657449308716
Energy: 1.3709481676765205
Energy: 1.5220714535366389
Energy: 1.3674471379635433
Energy: 1.4723432198948176
Energy: 1.470622175288746
Energy: 1.4722161930873916
Energy: 1.4740759091195523
Energy: 1.5166611642186694
Energy: 1.471278390358148
Energy: 1.4601074253138533
Energy: 1.4016941207091242
Energy: 1.4031607367855754
Energy: 1.4617760307578367
Energy: 1.3987246391994896
Energy: 1.4122103578445326
Energy: 1.5237327854013012
Energy: 1.4717292080659168
Energy: 1.4740653044464576
Energy: 1.4942293289092479
Energy: 1.466957235962076
Energy: 1.473050208636213
Energy: 1.349810752060197
Energy: 1.4534066915165287
Energy: 1.3489571902627704
Energy: 1.3499247732009643
Energy: 1.5188937196294359
Energy: 1.3491030636539503
Energy: 1.3463762127371817
Energy: 1.474070008275082
Energy: 1.4707103408918452
Energy: 1.3470782823706746
Energy: 1.5167981204048298
Energy: 1.4705428673249057
Energy: 1.4997162374668649
Energy: 1.3187812426662562
Energy: 1.3182334462860839
Energy: 1.4997712422034062
Energy: 1.3176043222988603
Energy: 1.3182986230117095
Energy: 1.499412547332058
Energy: 1.4700197820098417
Energy: 1.47192350558517
Energy: 1.4991194670120729
Energy: 1.4765221582836143
Energy: 1.4699114337432149
Energy: 1.4008190116053476
Energy: 1.4794538105004038
Energy: 1.4342349635463092
Energy: 1.3453786511316712
Energy: 1.520190724030987
Energy: 1.4072519965502883
Energy: 1.400116573396987
Energy: 1.4787969460753594
Energy: 1.4768569976498749
Energy: 1.452885504200618
Energy: 1.5054764467757649
Energy: 1.4718180932661216
Energy: 1.518385399305538
Energy: 1.3479381253642504
Energy: 1.3475479386213605
Energy: 1.520372202007807
Energy: 1.351826894084044
Energy: 1.3495215019472848
Energy: 1.5894612335933314
Energy: 1.4534562057424796
Energy: 1.4718352531122922
Energy: 1.5348043321408584
Energy: 1.3496664592489391
Energy: 1.4704001800595425
Energy: 1.9910441910937993
Energy: 1.427424903808911
Energy: 1.4718409322613337
Energy: 1.3164412853877867
Energy: 1.4270279063785432
Energy: 1.3176744778790834
Energy: 1.5345669818801195
Energy: 1.503415059695173
Energy: 1.4893030709387685
Energy: 1.53660200971696
Energy: 1.5038776844320354
Energy: 1.4678951597103373
Energy: 1.5185053078384447
Energy: 1.4020592489455335
Energy: 1.4751484165910358
Energy: 1.5186876354963663
Energy: 1.3475044741771145
Energy: 1.4737103021077447
Energy: 1.5026304278317744
Energy: 1.4713936450354408
Energy: 1.4734274736375472
Energy: 1.5039809696916924
Energy: 1.3493558594804316
Energy: 1.4720727306694041
Energy: 1.3722612145689868
Energy: 1.4984314784025536
Energy: 1.4062430283729332
Energy: 1.369813305973508
Energy: 1.5016275605090157
Energy: 1.3679265184023968
Energy: 1.4461125129472545
Energy: 1.474817293746137
Energy: 1.4723432469401672
Energy: 1.448240713316806
Energy: 1.5356881045079787
Energy: 1.472027336111395
Energy: 1.416032323503026
Energy: 1.4028115762653617
Energy: 1.4471772417010893
Energy: 1.4161000636427725
Energy: 1.398609495596106
Energy: 1.4019492357785142
Energy: 1.452981028616062
Energy: 1.4674014165937654
Energy: 1.4709129629702884
Energy: 1.4523777747940994
Energy: 1.4088457152395217
Energy: 1.4712966548775233
Energy: 1.3636278420588919
Energy: 1.475655432947929
Energy: 1.4727041354091766
Energy: 1.3641971051834199
Energy: 1.49981847629203
Energy: 1.4463822665174135
Energy: 1.3491565369952478
Energy: 1.4772723267789354
Energy: 1.4705482215499348
Energy: 1.3509929279093766
Energy: 1.5163561321067591
Energy: 1.4711645384777372
Energy: 1.514588141130981
Energy: 1.3193755233593665
Energy: 1.4733460793484696
Energy: 1.499342303689815
Energy: 1.3183259188778869
Energy: 1.4688273977293984
Energy: 1.5158889688587909
Energy: 1.4603963593756988
Energy: 1.4730512998966696
Energy: 1.517260834029581
Energy: 1.3188033658736216
Energy: 1.4776771197136502
Energy: 1.4006788347835395
Energy: 1.4924049150999545
Energy: 1.4761458627529285
Energy: 1.3437108972975569
Energy: 1.518817018671249
Energy: 1.4757339906339848
Energy: 1.4014451849640097
Energy: 1.4869292154445055
Energy: 1.4058097579776947
Energy: 1.3437524823471914
Energy: 1.4993874054087097
Energy: 1.4493635981461386
Energy: 1.516184051414493
Energy: 1.3497160130116892
Energy: 1.4535212429915239
Energy: 1.517421150198981
Energy: 1.3476655498566603
Energy: 1.4550793876932038
Energy: 1.518299544062225
Energy: 1.4017055806369811
Energy: 1.449823316738222
Energy: 1.5191026280553703
Energy: 1.3991525621629097
Energy: 1.4066042734893907
Energy: 1.4264130239364878
Energy: 1.3496209553320717
Energy: 1.4100648681451025
Energy: 1.315925924906997
Energy: 1.4278114945379998
Energy: 1.4101455116674404

minimum gb energy = 1.315925924906997 eV
minimum distance =  2.28557730030374 Angstroms
sigma value = 33


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

Energy: 0.020466031024279588
Energy: 0.021850206296441486
Energy: 0.021278181806866487
Energy: 0.02311491659011923
Energy: 1.1174057439653993
Energy: 0.021314370146831754
Energy: 0.021639880256430034
Energy: 0.17753375755590245
Energy: 0.17488460077381596
Energy: 0.17527485042552185
Energy: 0.1750708695754342
Energy: 0.17455626553750023
Energy: 1.7016339084528582
Energy: 1.118308659567912
Energy: 1.1158278283308622
Energy: 1.112577526519311
Energy: 1.1166319886086942
Energy: 1.115804617778255
Energy: 0.759424752754185
Energy: 0.17753375755543507
Energy: 0.17488460077334858
Energy: 0.17527485042552185
Energy: 0.17507086957590162
Energy: 0.1745562655383831

minimum gb energy = 0.020466031024279588 eV
minimum distance =  2.45865493132143 Angstroms
sigma value = 1