Model name: model_name=EAM_Dynamo_AcklandTichyVitek_1987v2_Cu__MO_762798677854_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.615000367164612
cohesive_energy=3.518260241115693
mass=63.546
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=[8.034130752959339e-20, 1.7586612258427796e-19, 2.42869149418158e-19, 2.9524911011352e-19, 3.3860080547629196e-19, 3.7563672054783594e-19, 4.07704285877346e-19, 4.346432838014219e-19, 4.5647614479294e-19, 4.73630650013178e-19, 4.87519919253324e-19, 4.99666020315678e-19, 5.1073866303325195e-19, 5.20710610403268e-19, 5.29546614539778e-19, 5.372546863259519e-19, 5.438668692944699e-19, 5.4942642221445e-19, 5.539846147381799e-19, 5.5759752304785e-19, 5.60316416795748e-19, 5.621973721640639e-19, 5.632900566284519e-19, 5.63642535487932e-19, 5.6323558262289595e-19, 5.618000323588319e-19, 5.58972190599822e-19, 5.54324276184588e-19, 5.473500012967859e-19, 5.37446947522032e-19, 5.239005440815619e-19, 5.06012241962952e-19, 4.8435401822454e-19, 4.60471973318136e-19, 4.36263084378396e-19, 4.125188266625159e-19, 3.8881141900921796e-19, 3.64533636474216e-19, 3.3887317550407193e-19, 3.1032559223946e-19, 2.76218456054868e-19, 2.3288438463506996e-19, 1.75928607473004e-19, 1.057923640136736e-19, 2.55374138046528e-20, -7.01453758661442e-20, -1.9709496298477799e-19, -3.7247562604895394e-19, -5.785059281215499e-19, -8.37412865646048e-19, -1.2138330505679099e-18, -1.86384412186488e-18, -3.69618945110532e-18, -1.265741971332876e-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: 0.013568409286128503
Energy: 0.5785771535080121
Energy: 0.013945654217137242
Energy: 0.01376785759676223
Energy: 0.5784976891309164
Energy: 0.013909981594666712
Energy: 0.578577153504667
Energy: 0.10184856606342506
Energy: 0.10179586148017351
Energy: 0.10178730468723851
Energy: 0.1018586573810697
Energy: 0.10181563289637813
Energy: 0.013945654217450852
Energy: 0.10179586148017351
Energy: 0.10178271660939356
Energy: 0.01389354020706541
Energy: 0.10181967513051861
Energy: 0.102756500342286
Energy: 0.013767857597075838
Energy: 0.10178730468445088
Energy: 0.013893540207379018
Energy: 0.013895715617421391
Energy: 0.10178384195416833
Energy: 0.013962689049558255
Energy: 0.5784976891241563
Energy: 0.10185865737922288
Energy: 0.10181967512961262
Energy: 0.10178384195542275
Energy: 0.10176511272546468
Energy: 0.10187645011277846
Energy: 0.013909981594980317
Energy: 0.10181563289669171
Energy: 0.10275650034256475
Energy: 0.01396268905109145
Energy: 0.10187645011218609
Energy: 0.013940992417685812

minimum gb energy = 0.013568409286128503 eV
minimum distance =  2.55272697604068 Angstroms
sigma value = 1


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

Energy: 1.3798103484144102
Energy: 0.9243969543112743
Energy: 0.9175691436223105
Energy: 0.8936674099831068
Energy: 0.9330550094848079
Energy: 0.9626015884668662
Energy: 1.2338694537955435
Energy: 0.889077278772539
Energy: 0.8637729875611297
Energy: 0.8734858253543949
Energy: 0.9174898792660757
Energy: 0.8728897769336994
Energy: 1.3340464623577644
Energy: 0.8716163857874772
Energy: 0.8661622908620221
Energy: 0.8760835578442686
Energy: 0.9084416999229339
Energy: 0.8739509103696766
Energy: 1.4132474068928123
Energy: 0.8970322457175961
Energy: 0.8846336840214997
Energy: 0.8757781180525431
Energy: 0.8900811773965721
Energy: 0.8831980267706043
Energy: 1.323440130852417
Energy: 0.8754046119260906
Energy: 0.873907110986555
Energy: 0.8699395288465045
Energy: 0.865933990121267
Energy: 0.8742382806060788
Energy: 1.2343313683993749
Energy: 0.8814291674024857
Energy: 0.8808379728695379
Energy: 0.8677912135987749
Energy: 0.8734385845678865
Energy: 0.8786899668645944
Energy: 1.234854802741991
Energy: 0.8814850769087033
Energy: 0.881373912470127
Energy: 0.8670329147183963
Energy: 0.867464792443934
Energy: 0.8667147081019121
Energy: 1.193030517403643
Energy: 0.8765068820772688
Energy: 0.8756548063154349
Energy: 0.8100630677868141
Energy: 0.8759325622539765
Energy: 0.8807668754938349
Energy: 0.9590356058651759
Energy: 0.8802648717631121
Energy: 0.8778974681405527
Energy: 0.8732811728105194
Energy: 0.8786942578377177
Energy: 0.8819875857873587
Energy: 0.9594043519899472
Energy: 0.8710137341652077
Energy: 0.8726545614766298
Energy: 0.8739884780473065
Energy: 0.8701806106663234
Energy: 0.8735102135795235
Energy: 1.1082003255354924
Energy: 0.8736693840566865
Energy: 0.8790837658402025
Energy: 0.9713236433484375
Energy: 0.8793056845305599
Energy: 0.8860773123632553
Energy: 0.9083497056855899
Energy: 0.873423629281852
Energy: 0.8735849599299821
Energy: 0.9085239685719108
Energy: 0.8764093320766077
Energy: 0.8737312349486891
Energy: 0.9159285966227013
Energy: 0.8737954133206617
Energy: 0.872404433480794
Energy: 0.9160753190580946
Energy: 0.8690718323620014
Energy: 0.873703083779594
Energy: 1.001877412886318
Energy: 0.8798033943566004
Energy: 0.8590577278833755
Energy: 0.9254097550639092
Energy: 0.8884981577292305
Energy: 0.8645525347587392
Energy: 0.9196251577685441
Energy: 0.869733406394092
Energy: 0.8720968660625078
Energy: 0.8858597139644601
Energy: 0.8693218540325034
Energy: 0.8779877467943791
Energy: 0.916399151188483
Energy: 0.8788331531354419
Energy: 0.8804761043330662
Energy: 0.8834302397040924
Energy: 0.8786321610106744
Energy: 0.8768790499311602
Energy: 1.1839368297135546
Energy: 0.8787550415592754
Energy: 0.8795700022990903
Energy: 0.8649052223009998
Energy: 0.8813574341937648
Energy: 0.88452636024884
Energy: 1.0865973418142856
Energy: 0.8786066418373661
Energy: 0.8788688374588651
Energy: 0.867457475421429
Energy: 0.8809616496317503
Energy: 0.8787166426448334
Energy: 1.0865946501027757
Energy: 0.8789923399053273
Energy: 0.8782141051027805
Energy: 0.8688310397312308
Energy: 0.8788609667687998
Energy: 0.8777812207711582
Energy: 1.272932740315916
Energy: 0.8791004349783728
Energy: 0.8788098366309796
Energy: 0.8792024434368787
Energy: 0.8670008827335667
Energy: 0.8780765703018791
Energy: 1.3918492957522977
Energy: 0.866533430993442
Energy: 0.8819132308494672
Energy: 0.8801496301553511
Energy: 0.8640645676020683
Energy: 0.8793190927955116
Energy: 1.2727499084540952
Energy: 0.8848665599994345
Energy: 0.8677825119177522
Energy: 0.8757084753441181
Energy: 0.8966885091082285
Energy: 0.8799796230375723
Energy: 1.2749689694180137
Energy: 0.8847890720559082
Energy: 0.8686067946765668
Energy: 0.8621552074160671
Energy: 0.8900098659444482
Energy: 0.873101897893121

minimum gb energy = 0.8100630677868141 eV
minimum distance =  2.33885047443785 Angstroms
sigma value = 33


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

Energy: 1.6542269309202662
Energy: 0.9098959902263122
Energy: 0.9162951788320345
Energy: 0.9456721532737713
Energy: 0.9392051019896772
Energy: 1.0248499629920136
Energy: 1.0370754816746484
Energy: 0.9150892565806589
Energy: 0.9068602689049501
Energy: 0.9062891956255384
Energy: 0.9102714467176247
Energy: 0.9124517347084645
Energy: 0.9612759165187191
Energy: 0.9320882256456674
Energy: 0.9328336078720688
Energy: 0.9602124152252102
Energy: 0.9197891315023793
Energy: 0.9060525427351493
Energy: 1.2864385790925272
Energy: 1.0350412862076814
Energy: 0.9213620490676319
Energy: 0.9648541350016916
Energy: 0.9176353318357343
Energy: 0.9494621459531049
Energy: 0.9830182069997723
Energy: 1.0473130669026345
Energy: 0.9108521229297041
Energy: 0.9098508867922791
Energy: 0.9314449199059283
Energy: 1.0254571867361217
Energy: 1.2795857645913575
Energy: 0.9034811575419197
Energy: 0.9590842642409202
Energy: 1.0442734438579866
Energy: 1.0181270113135994
Energy: 0.9793771447199573
Energy: 1.0395375617856122
Energy: 1.0194884219984428
Energy: 1.0244957209661731
Energy: 1.04438981229768
Energy: 0.9588255543884538
Energy: 0.9779006568627648
Energy: 1.005139511611221
Energy: 0.9557993793125845
Energy: 0.9559982626116952
Energy: 0.9309521424230789
Energy: 0.955917722959487
Energy: 0.9562411202443891
Energy: 1.030541944842292
Energy: 0.956842596665866
Energy: 1.0247590664155106
Energy: 0.9788628924805847
Energy: 0.9565765511675979
Energy: 0.9651858512224625
Energy: 1.09592327406068
Energy: 1.0358987731571374
Energy: 0.9659018970601346
Energy: 0.9402206357342168
Energy: 0.9664120743603505
Energy: 0.9659020488882477
Energy: 1.0335457468789322
Energy: 0.9064353192759903
Energy: 0.9067341426701606
Energy: 0.9880707344391892
Energy: 0.8696917620086644
Energy: 0.869849589471388
Energy: 0.9592508882858217
Energy: 0.9289189583083076
Energy: 0.9640070602414021
Energy: 0.9626801377834586
Energy: 0.8952996346353521
Energy: 0.9679074052645675
Energy: 0.9500823539656899
Energy: 1.0236975565053432
Energy: 1.027133385923433
Energy: 0.9499195393377893
Energy: 0.9685075761700572
Energy: 0.971165937303266
Energy: 1.0234495285957057
Energy: 0.9497245571396353
Energy: 0.9493594633716367
Energy: 0.9716193674771714
Energy: 0.9498208452909515
Energy: 0.9408723650913255
Energy: 0.9965965387057727
Energy: 1.0237791405659615
Energy: 1.0218996806605818
Energy: 0.981448182704319
Energy: 0.966087107311082
Energy: 0.9658849414569985
Energy: 0.9674410862840658
Energy: 1.0430305079972562
Energy: 1.0348578299028053
Energy: 1.0354716888893065
Energy: 1.0303223642170387
Energy: 0.9758252488745744
Energy: 1.1231509929409325
Energy: 1.0340796049624594
Energy: 1.0186572196993553
Energy: 1.0081280098345995
Energy: 1.0301645825364727
Energy: 1.0153327336428042
Energy: 0.977175425050669
Energy: 1.0075316407575508
Energy: 1.0110438296242483
Energy: 0.9564068323232799
Energy: 0.9859158731939855
Energy: 0.9575795933285561
Energy: 1.0464136789587293
Energy: 1.0211210912109459
Energy: 1.0207603757335866
Energy: 0.9566813996560942
Energy: 1.026986748991051
Energy: 1.007160690364036
Energy: 1.0051746543016722
Energy: 1.014726375014914
Energy: 1.0161705258662874
Energy: 1.0041805860895074
Energy: 1.0235025506390685
Energy: 1.0155216701495717
Energy: 0.8947725725861188
Energy: 1.00285401258057
Energy: 0.8695187299618274
Energy: 0.8955738306377368
Energy: 1.0028291446247648
Energy: 0.8699695240919103
Energy: 0.8642717724771128
Energy: 1.0160959889641683
Energy: 1.0037611873293868
Energy: 0.8962166417823832
Energy: 1.014206509481871
Energy: 1.022126083578
Energy: 1.099795781393328
Energy: 1.0342516422466097
Energy: 1.0102758847396667
Energy: 1.010401729776513
Energy: 1.0317423342062328
Energy: 1.008615941266012
Energy: 1.3669259992611966
Energy: 1.082804022417659
Energy: 0.9672220208730339
Energy: 1.0042805151166192
Energy: 1.1301481829980031
Energy: 0.9412511107334043
Energy: 1.0123427433466339
Energy: 1.0446151881708385
Energy: 1.0257148342306257
Energy: 1.013673169660621
Energy: 1.0443817907570048
Energy: 1.0192240487984363
Energy: 1.200444100730129
Energy: 1.0172822035891051
Energy: 1.0255316025311374
Energy: 1.0136625182645898
Energy: 1.0289705408028944
Energy: 0.9693829443905451
Energy: 0.9735271537096857
Energy: 0.953668357147345
Energy: 0.9554666193132659
Energy: 1.0296769870650306
Energy: 0.9706307346066596
Energy: 1.0265012933915754
Energy: 1.1981330924678038
Energy: 0.9561636632060109
Energy: 0.9576094021365495
Energy: 0.9799781396791808
Energy: 0.9569251662529994
Energy: 1.0186634096814295
Energy: 1.0165467898621476
Energy: 0.9560858968989344
Energy: 0.956235686027596
Energy: 0.9735489253368552
Energy: 0.956737545009978
Energy: 0.9692798315766101
Energy: 1.0288206790780392
Energy: 0.9658863065488382
Energy: 0.965507772532168
Energy: 0.9752779646498311
Energy: 1.0360510631910242
Energy: 0.9657772555856293
Energy: 0.9842322833039386
Energy: 0.8654656897395857
Energy: 0.870504052013468
Energy: 0.9636315927993236
Energy: 0.9288773516705592
Energy: 0.906434213918764
Energy: 0.9796949561909211
Energy: 0.8967405436657215
Energy: 0.8961315985122066
Energy: 0.9890755767223524
Energy: 0.9301405058969062
Energy: 0.9702322432014965
Energy: 0.9710992752859109
Energy: 0.9616622934099095
Energy: 0.961707426171768
Energy: 0.9893632227263199
Energy: 1.023782160537381
Energy: 0.9639640784786736
Energy: 0.9837480163211201
Energy: 0.9496012631601337
Energy: 0.9496381631589408
Energy: 0.9702977800871277
Energy: 0.9497272535730644
Energy: 0.9408636806414555
Energy: 1.02457703675215
Energy: 0.96845936849488
Energy: 0.9734006493727055
Energy: 1.0253945569089495
Energy: 1.026369205052682
Energy: 1.024887791900111
Energy: 1.061118126356713
Energy: 0.9183516961422472
Energy: 0.9912777042129006
Energy: 0.9706184029637517
Energy: 1.0348239319996801
Energy: 0.9864132899205525
Energy: 1.0251186735956748
Energy: 0.9170092799836499
Energy: 0.9063997629832939
Energy: 0.907443717610231
Energy: 0.9228517885535573
Energy: 0.899265313046407
Energy: 0.9587135849029886
Energy: 0.9905931132351664
Energy: 0.921227420016577
Energy: 0.9354591876408394
Energy: 0.9226021390982078
Energy: 1.0343335847851263
Energy: 1.108778122056786
Energy: 0.9059253891561194
Energy: 0.9175172178642674
Energy: 0.956043955630812
Energy: 0.9152693705186288
Energy: 0.9561842724919599
Energy: 1.0377313644092987
Energy: 0.9308117985285201
Energy: 0.9126432886815528
Energy: 0.906243065412915
Energy: 0.9176807134737178
Energy: 0.9090729656046519
Energy: 0.9636714697104073
Energy: 0.9039871960690762
Energy: 0.8699794497475262
Energy: 0.89623349040652
Energy: 0.9015892502016355
Energy: 0.9451691532945604

minimum gb energy = 0.8642717724771128 eV
minimum distance =  2.16908366296412 Angstroms
sigma value = 51


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

Energy: 1.4346674150745362
Energy: 0.924015711126177
Energy: 1.2666314576040285
Energy: 0.9378396430213845
Energy: 0.9242039826300725
Energy: 0.9101223100515271
Energy: 1.1575010391534475
Energy: 0.923687855460384
Energy: 0.9228641552214168
Energy: 0.915343741507568
Energy: 0.9238258912301149
Energy: 0.9255856926394707
Energy: 1.166801516425588
Energy: 0.9195003179679957
Energy: 0.9025299247311354
Energy: 0.9261970041061065
Energy: 0.9194817260670599
Energy: 0.9184066757230235
Energy: 1.2931897113589546
Energy: 0.9414481244820606
Energy: 0.9413037858532894
Energy: 0.9135270713122688
Energy: 0.9415810198936067
Energy: 0.9077385292859977
Energy: 1.1581826532019517
Energy: 0.9332115870080495
Energy: 0.9270133121113595
Energy: 0.9255672374105847
Energy: 0.9331046911060318
Energy: 0.9267617494326027
Energy: 1.0538359549663256
Energy: 0.93322735388067
Energy: 0.9331030626396584
Energy: 0.9333564070816335
Energy: 0.9332381947268616
Energy: 0.9326329783954264
Energy: 1.0537822038697509
Energy: 0.9249663776301432
Energy: 0.926153880738159
Energy: 0.9333490208542116
Energy: 0.9257084098799032
Energy: 0.9269920135049847
Energy: 1.2135388115064922
Energy: 0.8860059916778024
Energy: 0.8865264123408704
Energy: 0.9411838886839682
Energy: 0.8862290101685433
Energy: 0.8849710343590401
Energy: 0.9590218237027812
Energy: 0.8958413226015393
Energy: 0.8862215954020979
Energy: 0.9590643648169761
Energy: 0.8851504052239856
Energy: 0.9186273318802922
Energy: 0.9236514454647884
Energy: 0.9261418258251337
Energy: 0.9268269119058623
Energy: 0.9235811329485701
Energy: 0.910196430494843
Energy: 0.9179359229276584
Energy: 0.942093990638269
Energy: 0.9152096972116156
Energy: 0.8903276090682363
Energy: 1.0252121284391629
Energy: 0.9137598871852213
Energy: 0.911151090567871
Energy: 0.9314067914881631
Energy: 0.9250658207925796
Energy: 0.9263498227909998
Energy: 0.8988452477803549
Energy: 0.9249206101506718
Energy: 0.9175684781076392
Energy: 0.9293873959667185
Energy: 0.9122251157138488
Energy: 0.9127956155554992
Energy: 0.9159085186576919
Energy: 0.9381509961887113
Energy: 0.9113614657862359
Energy: 0.9316921928095233
Energy: 0.9120148900764045
Energy: 0.911630345296969
Energy: 0.9180708508700163
Energy: 0.9122768246306535
Energy: 0.9113811156787189
Energy: 1.2193465647754256
Energy: 0.9123518951061859
Energy: 0.9120966208397789
Energy: 0.9237789566248259
Energy: 0.9112503406168356
Energy: 0.9120026867123578
Energy: 1.1410046502407991
Energy: 0.918034728082736
Energy: 0.9112267165901372
Energy: 0.9223632231596307
Energy: 0.9181755180885627
Energy: 0.9221480032164401
Energy: 1.1517300289463002
Energy: 0.9181450814417024
Energy: 0.9113376064185102
Energy: 0.918947538968042
Energy: 0.9180982396653317
Energy: 0.9265651489856936
Energy: 1.4264170616291678
Energy: 0.8986149625505566
Energy: 0.9257174857347314
Energy: 0.8836439686490577
Energy: 0.8991401515776808
Energy: 0.9252215098703442

minimum gb energy = 0.8836439686490577 eV
minimum distance =  2.34962872047151 Angstroms
sigma value = 19


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

Energy: 1.2110529227278606
Energy: 0.8010867810319802
Energy: 0.8389958980103326
Energy: 0.8586763537233136
Energy: 0.8171503780025164
Energy: 0.8393491091507504
Energy: 1.013501484021822
Energy: 0.8173938592245925
Energy: 0.8176542386487953
Energy: 0.8006522581509585
Energy: 0.8173120383147415
Energy: 0.8173329977030693
Energy: 1.0155162143282348
Energy: 0.8172568954904572
Energy: 0.8170905760934911
Energy: 0.8475856971341047
Energy: 0.8173187106287089
Energy: 0.8177163937204333
Energy: 0.996482017325357
Energy: 0.8165671375166202
Energy: 0.8171920303883707
Energy: 0.8480567278495026
Energy: 0.8167366327039046
Energy: 0.8174476919289035
Energy: 0.9343204597653513
Energy: 0.8172473014599467
Energy: 0.8474686009537571
Energy: 0.8006816833700656
Energy: 0.8174530265679025
Energy: 0.8479182827463414
Energy: 1.0123850225108684
Energy: 0.7897910214743843
Energy: 0.8475859333119784
Energy: 0.8920378407745092
Energy: 0.7897334913938571
Energy: 0.8464496120452311
Energy: 1.0149682505273163
Energy: 0.8006600392834062
Energy: 0.8012478305559468
Energy: 0.8945945151321453
Energy: 0.8003195256026931
Energy: 0.8469110435918813
Energy: 0.9964552430523095
Energy: 0.7902854380114736
Energy: 0.7902543809203685
Energy: 0.817784497182813
Energy: 0.7901184177373299
Energy: 0.7900983485056824
Energy: 0.8174767030992405
Energy: 0.790451765702516
Energy: 0.7901104767679498
Energy: 0.8171529455044353
Energy: 0.7901214259841375
Energy: 0.7900095807940352
Energy: 0.8169585900638612
Energy: 0.8479879081546223
Energy: 0.818256264728322
Energy: 0.8171062945995129
Energy: 0.8476299448900424
Energy: 0.8174250287174584
Energy: 0.8171485535030095
Energy: 0.847955572710062
Energy: 0.9175441126358
Energy: 0.8149997732252441
Energy: 0.9044915564944426
Energy: 1.0351155540685901
Energy: 1.013128605433458
Energy: 0.848135083593613
Energy: 0.8483780004551215
Energy: 0.8171304399291508
Energy: 0.8475182357493833
Energy: 0.8170516182341039
Energy: 0.7887355553023755
Energy: 0.8476883396798673
Energy: 0.8478735012243612
Energy: 0.7895547211185182
Energy: 0.8952658042982421
Energy: 0.8476489275169372
Energy: 1.0115518734339728
Energy: 0.84753426833795
Energy: 0.8476880794543659
Energy: 0.816956465370184
Energy: 0.8485840029890152
Energy: 0.847795274637787
Energy: 1.2079906175993986
Energy: 0.8171700496408748
Energy: 0.8174041318330115
Energy: 0.8313679639031037
Energy: 0.8169236740348262
Energy: 0.7901318806792142
Energy: 1.2154604758197178
Energy: 0.818315944305222
Energy: 0.7900472817563735
Energy: 0.7899726657668249
Energy: 0.8175118883309519
Energy: 0.7902583963029386
Energy: 1.0114436063759091
Energy: 0.8173182464130948
Energy: 0.8170660597652345
Energy: 0.8009490955370602
Energy: 0.8167279111683197
Energy: 0.819564219851744
Energy: 0.9953645289783191
Energy: 0.8168009803131878
Energy: 0.8169468872849092
Energy: 0.8477925620443089
Energy: 0.816822302152384
Energy: 0.8175309432021787
Energy: 0.9950175383363817
Energy: 0.8168405539263245
Energy: 0.8175276280827319
Energy: 0.8480245034064119
Energy: 0.8170398281615848
Energy: 0.8178614294377297
Energy: 1.0142080805417513
Energy: 0.7897854651269197
Energy: 0.847792376608465
Energy: 0.8009437747858452
Energy: 0.7896329180401783
Energy: 0.8470526708423982
Energy: 1.0086654151165375
Energy: 0.8173833518256619
Energy: 0.8476103186441845
Energy: 0.8493096055641284
Energy: 0.8174324986152078
Energy: 0.8480448037815049
Energy: 1.0127548240429007
Energy: 0.800845358800299
Energy: 0.8012528056025461
Energy: 0.8169236729801618
Energy: 0.800774732921742
Energy: 0.8483893398311421
Energy: 0.9972935954370686
Energy: 0.7904546831112652
Energy: 0.7901265769332376
Energy: 0.9979154023761706
Energy: 0.7904197767489425
Energy: 0.7901510357337262
Energy: 0.8171337784267263
Energy: 0.847583235333643
Energy: 0.84753612354585
Energy: 0.8172257790028931
Energy: 0.8312483831358218
Energy: 0.8177006755028492
Energy: 0.817238968296297
Energy: 0.8474005387837009
Energy: 0.8172411478804907
Energy: 0.8173801680279086
Energy: 0.8474439901992813
Energy: 0.8175196067866918
Energy: 0.9345062155335295
Energy: 0.8478262545083932
Energy: 0.8478806290162247
Energy: 0.8172096225213952
Energy: 0.8479847876965309
Energy: 0.8171708775484751
Energy: 1.0156136356678456
Energy: 0.8478512665316847
Energy: 0.8480007543335057
Energy: 0.8168990364043236
Energy: 0.8487745261529608
Energy: 0.8475433707700883
Energy: 0.7896750653252543
Energy: 0.8477574929022503
Energy: 0.8474624136977023
Energy: 0.7896953266494335
Energy: 0.8480817120340821
Energy: 0.8470616576161591
Energy: 0.9386971425232958
Energy: 0.8480676204209944
Energy: 0.8471820813007644
Energy: 0.8003591872933269
Energy: 0.8481598949470623
Energy: 0.8476300825893472
Energy: 1.2179863654399634
Energy: 0.8175639435367552
Energy: 0.7899928396140151
Energy: 0.789909067525789
Energy: 0.8168927170172966
Energy: 0.7903058982830213

minimum gb energy = 0.7887355553023755 eV
minimum distance =  2.39320602006788 Angstroms
sigma value = 27


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

Energy: 1.0087881602363198
Energy: 1.0213271275041842
Energy: 0.9339900922689828
Energy: 0.8346517757108198
Energy: 0.9475793316470866
Energy: 0.9336138626625429
Energy: 1.0060303241163273
Energy: 0.8984922391358565
Energy: 0.8681571488258601
Energy: 0.8337732894969379
Energy: 0.8991238136837533
Energy: 0.8327476077054496
Energy: 0.9133974411706874
Energy: 0.8985349534205975
Energy: 0.8784401642032362
Energy: 0.8777761199603068
Energy: 0.9228899512361137
Energy: 0.8409713301228695
Energy: 0.9134997766307741
Energy: 0.8725590564866741
Energy: 0.8780749673666959
Energy: 0.8765775226035096
Energy: 0.9234596967309323
Energy: 0.8400320660145911
Energy: 0.8966157417110666
Energy: 0.9132277790217136
Energy: 0.8399400690592216
Energy: 0.9336874735013155
Energy: 0.9135022499004077
Energy: 0.8401307358833676
Energy: 0.9338696814474383
Energy: 0.8043037435249504
Energy: 0.9122322857955301
Energy: 0.9337494162699053
Energy: 0.8056557385776735
Energy: 0.7965632459852624
Energy: 0.8982593942971739
Energy: 0.8332943465351572
Energy: 0.8330449889184038
Energy: 0.8979150292805862
Energy: 0.833380018459537
Energy: 0.8329716803795856
Energy: 0.9561951206593959
Energy: 0.8438662551112964
Energy: 0.8243809040818123
Energy: 0.9565264689150824
Energy: 0.8445154096909812
Energy: 0.8247170970543223
Energy: 1.0848394105011983
Energy: 0.8673695334574072
Energy: 0.8384676238915789
Energy: 0.9560883205494219
Energy: 0.8666852435589854
Energy: 0.8394662103460173
Energy: 0.7977423857207949
Energy: 0.8392048338090642
Energy: 0.838600629256169
Energy: 0.8625924530108005
Energy: 0.9264844872836487
Energy: 0.8396279372010772
Energy: 0.9138407364127801
Energy: 0.853814984052544
Energy: 0.8504258165164186
Energy: 0.8852586408083007
Energy: 0.8423322333427277
Energy: 0.8514527913916795
Energy: 0.89465259553803
Energy: 0.8692875771730704
Energy: 0.8392323643477743
Energy: 0.839463320925138
Energy: 0.8687704909462252
Energy: 0.8392374968289595

minimum gb energy = 0.7965632459852624 eV
minimum distance =  2.38065821734435 Angstroms
sigma value = 9


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

Energy: 1.5357904303803032
Energy: 1.2492942190803868
Energy: 1.0914066022355844
Energy: 0.7548504476811365
Energy: 1.1385112124382468
Energy: 0.915256137394057
Energy: 0.8710800366121146
Energy: 0.7868726284606605
Energy: 0.785940368489754
Energy: 0.7562162358490906
Energy: 0.7866771315562218
Energy: 0.734491084753376
Energy: 0.7758995404020425
Energy: 0.7803428184169847
Energy: 0.7904902840634531
Energy: 0.8073248016916351
Energy: 0.779813068502771
Energy: 0.7746574003116692
Energy: 0.9983137242321793
Energy: 0.7804787742941167
Energy: 0.7807654024488851
Energy: 0.7486420022064423
Energy: 0.8312340470252927
Energy: 0.8285830798304225
Energy: 0.8244259701038781
Energy: 0.7807343033390507
Energy: 0.7380953488570684
Energy: 0.8523947736656144
Energy: 0.8147743669654843
Energy: 0.7527480449477938
Energy: 0.8511068181782193
Energy: 0.7373459936859473
Energy: 0.7384032141408623
Energy: 0.8513211497987725
Energy: 0.7412241550611011
Energy: 0.8516893942634246
Energy: 0.8476275719899504
Energy: 0.7349472842422003
Energy: 0.7350574006351118
Energy: 0.8480841943025551
Energy: 0.7555793307129446
Energy: 0.8056969888558944
Energy: 0.8516937801226305
Energy: 0.7494332996033976
Energy: 0.8598666625364534
Energy: 0.8518170362004432
Energy: 0.7454004625744791
Energy: 0.8506244725858958
Energy: 0.7670737047503459
Energy: 0.8220002116345417
Energy: 0.7657448668381956
Energy: 0.8731851483218563
Energy: 0.8516380089187945
Energy: 0.8275424143823313
Energy: 1.1630619915852327
Energy: 0.8510321882891648
Energy: 0.8507105635153356
Energy: 0.7423569915196646
Energy: 0.8884130299680962
Energy: 0.838089696578478
Energy: 0.7175584634947939
Energy: 0.8511937048496795
Energy: 0.8574471206600612
Energy: 0.8510755581576961
Energy: 0.8520694294825071
Energy: 0.7674146165165767
Energy: 0.8291255942459217
Energy: 0.8515786371728867
Energy: 0.852622646415084
Energy: 0.7707566506870402
Energy: 0.8528488245526721
Energy: 0.727415548575298
Energy: 1.3587110560752476
Energy: 0.7348259675430796
Energy: 0.7574264968517503
Energy: 0.7671479704375439
Energy: 0.8773320947593222
Energy: 0.7762171616599156
Energy: 0.9102946426969052
Energy: 0.7827579487004781
Energy: 0.7379418257694048
Energy: 0.7533255802871252
Energy: 0.8503287832305607
Energy: 0.7811288519080235
Energy: 0.7728656356589111
Energy: 0.7436694086768437
Energy: 0.7444429855212465
Energy: 0.8074148607696389
Energy: 0.7446073065825144
Energy: 0.8084073322290612
Energy: 0.7881795016511977
Energy: 0.7421719962041731
Energy: 0.7361123398562209
Energy: 0.7886168126681803
Energy: 0.7985193853289144
Energy: 0.7399897197214849
Energy: 0.7855345565792379
Energy: 0.7681795358171885
Energy: 0.7536031096046084
Energy: 0.788442119254304
Energy: 0.7677869239544926
Energy: 0.7818906271530364
Energy: 0.835984294359789
Energy: 0.7536470210633638
Energy: 0.7467597938456392
Energy: 0.7860226321200747
Energy: 0.7634600033310138
Energy: 0.8440876234562597
Energy: 0.7755442719431875
Energy: 0.7374929215828521
Energy: 0.7390584192199615
Energy: 0.7591490506842874
Energy: 0.7515020790815611
Energy: 0.7500620559603295
Energy: 0.7746222353754174
Energy: 0.7360004590671171
Energy: 0.7407617899714812
Energy: 0.7344609012098505
Energy: 0.7352753299749708
Energy: 0.7398152799871226
Energy: 0.7750352609291514
Energy: 0.7437747206464312
Energy: 0.7503848041354205
Energy: 0.7837166703669024
Energy: 0.7440140946251615
Energy: 0.7513118206247184
Energy: 1.0532130304996923
Energy: 0.7858649742448081
Energy: 0.8457984145141607
Energy: 0.7778784422456787
Energy: 0.787608860184338
Energy: 0.7896681557054649
Energy: 0.8300935175926472
Energy: 0.7870666308045368
Energy: 0.7808288703909217
Energy: 0.7778117497320527
Energy: 0.7864656841390717
Energy: 0.7318798230563026
Energy: 0.7759846397333745
Energy: 0.7901335121418928
Energy: 0.7885223785011237
Energy: 0.7971164094947804
Energy: 0.7894711989487058
Energy: 0.7370184209360485
Energy: 1.0046200945332033
Energy: 0.789925071972898
Energy: 0.8090876042832189
Energy: 0.750386041812842
Energy: 0.789829221981764
Energy: 0.8450530560014284
Energy: 0.871221928337983
Energy: 0.7890894834349064
Energy: 0.7382724977263404
Energy: 0.8210247835364275
Energy: 0.754629279545902
Energy: 0.7356416234490061
Energy: 0.7374918902862808
Energy: 0.7441565945831563
Energy: 0.7518257865280167
Energy: 0.7372766322652778
Energy: 0.7681772642529711
Energy: 0.7580742842752464
Energy: 0.8508852056893467
Energy: 0.7547188514180972
Energy: 0.7557223235469074
Energy: 0.8529941266380443
Energy: 0.7714973563582747
Energy: 0.8150578856193698
Energy: 0.8512805625538019
Energy: 0.8207473049081024
Energy: 0.7672126746736067
Energy: 0.8516721499845461
Energy: 0.8213592548541894
Energy: 0.8509085022127986
Energy: 0.7667186884746252
Energy: 0.7470038784834234
Energy: 0.8546153304993993
Energy: 0.9433021718738429
Energy: 0.745569404774132
Energy: 0.8530857197334867
Energy: 0.7176815837234635
Energy: 0.8575948315162324
Energy: 0.8276192914543643
Energy: 0.7916653319121832
Energy: 0.8588984637638767
Energy: 0.7990934678241032
Energy: 1.1631163165210645
Energy: 0.8509100895264199
Energy: 0.8506881901441036
Energy: 0.7430206183892473
Energy: 0.8512585275736752
Energy: 0.8380605498966001
Energy: 0.9102925518086454
Energy: 0.8517035569728822
Energy: 0.8309768194771588
Energy: 0.8145774915983515
Energy: 0.8290430642871054
Energy: 0.7352086079389799
Energy: 1.112626608397862
Energy: 0.8515799637454271
Energy: 0.8518539231558052
Energy: 0.7664042010489167
Energy: 0.8525435266659745
Energy: 0.8462646161754549
Energy: 0.7673699989764821
Energy: 0.8511633218114126
Energy: 0.8160210549819235
Energy: 0.7847284797430473
Energy: 0.8515599951137002
Energy: 0.7491846351412962
Energy: 0.7732818688555776
Energy: 0.7484914732407958
Energy: 0.8684486805657775
Energy: 0.8246379811050107
Energy: 0.7462363313967654
Energy: 0.7808525781967526
Energy: 0.778736500249016
Energy: 0.8253562895800935
Energy: 0.7807994059953538
Energy: 0.7788212775917461
Energy: 0.8239754004376799
Energy: 0.7806011965329082
Energy: 0.7853289584452164
Energy: 0.7359464897068133
Energy: 0.7555034097577568
Energy: 0.7877193229140809
Energy: 0.7566628968141369
Energy: 0.806173051758392
Energy: 0.858220514654589
Energy: 0.7300866549487203
Energy: 0.7515508657717163
Energy: 0.8547092048783459
Energy: 0.7385254210650173
Energy: 0.7904061103045719
Energy: 0.7756480486103412
Energy: 0.7400323737967007
Energy: 0.737339282143216
Energy: 0.7876506781958459
Energy: 0.7383743930336252
Energy: 0.7366760241496503
Energy: 0.7713350166183813
Energy: 0.7431037855694971
Energy: 0.7370267275208351
Energy: 0.7325318102079647
Energy: 0.7429779417939351
Energy: 0.7370990353841445
Energy: 0.7762871073940816
Energy: 0.7359992628448094
Energy: 0.7399348817972659
Energy: 0.7425478787642771
Energy: 0.7358341309144868
Energy: 0.7511653628688671
Energy: 0.8302256507845623
Energy: 0.7871487483787848
Energy: 0.8075226326580629
Energy: 0.7777234470249462
Energy: 0.7865998501565584
Energy: 0.7553403439207694

minimum gb energy = 0.7175584634947939 eV
minimum distance =  2.38158774545978 Angstroms
sigma value = 57


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

Energy: 0.39286185229266923
Energy: 0.4162842711817934
Energy: 0.4037030223761577
Energy: 0.39559677018423123
Energy: 0.4162106569248854
Energy: 0.39523958847923185
Energy: 0.47952875666540085
Energy: 0.41856416186308654
Energy: 0.4214400270469139
Energy: 0.4399074807833418
Energy: 0.44119733917851206
Energy: 0.43595553060995185
Energy: 0.48277666891353366
Energy: 0.44453197185253146
Energy: 0.4194104935643545
Energy: 0.44171695235836145
Energy: 0.4413598853041443
Energy: 0.4260660612330142
Energy: 0.4828943820863454
Energy: 0.46641460439775506
Energy: 0.41992891486371947
Energy: 0.4173257509541381
Energy: 0.48300543425069165
Energy: 0.465685235229201
Energy: 0.4771003309547003
Energy: 0.3956649302556346
Energy: 0.42613954500438733
Energy: 0.4834467900937727
Energy: 0.39487897099692304
Energy: 0.4228271189506135
Energy: 0.441425569182914
Energy: 0.3949348323491891
Energy: 0.39575617005856706
Energy: 0.41600257472757096
Energy: 0.3943665746613187
Energy: 0.42404366313292363
Energy: 0.4353591917925371
Energy: 0.41683561766067356
Energy: 0.4205910471620883
Energy: 0.4378376352221508
Energy: 0.41690288965095873
Energy: 0.4269976014227932
Energy: 0.4416039414251955
Energy: 0.41857702179649825
Energy: 0.4198637477184179
Energy: 0.4418212639808284
Energy: 0.41694399181479813
Energy: 0.42063690152367533
Energy: 0.47703402389064553
Energy: 0.4638570670970305
Energy: 0.4247439468935522
Energy: 0.4431795452712731
Energy: 0.4407989735971332
Energy: 0.4218057855446108
Energy: 0.39429722432668174
Energy: 0.4581304936242261
Energy: 0.42788857645921374
Energy: 0.39434772553492037
Energy: 0.44093152212603964
Energy: 0.4238370300775263
Energy: 0.394400961567747
Energy: 0.41683714636378316
Energy: 0.42319660718838764
Energy: 0.3944832367649931
Energy: 0.41657123926208933
Energy: 0.3976027262021266
Energy: 0.48175931020418405
Energy: 0.4426996033179766
Energy: 0.4207142131277357
Energy: 0.4411140655189026
Energy: 0.44077477836631707
Energy: 0.43707777406456116
Energy: 0.4829057172322073
Energy: 0.4164679550460812
Energy: 0.4174850532400808
Energy: 0.4166618359395129
Energy: 0.48310071228680584
Energy: 0.453520133273021
Energy: 0.479730538734169
Energy: 0.442974025536079
Energy: 0.4257170734407102
Energy: 0.44134826463192134
Energy: 0.4406763216073527
Energy: 0.423580477028989
Energy: 0.4829946396127631
Energy: 0.39477265387556426
Energy: 0.39661747469928904
Energy: 0.4416112956217041
Energy: 0.39501265862677476
Energy: 0.3958949799659202
Energy: 0.4398031901610551
Energy: 0.4196054969001613
Energy: 0.4384849200082528
Energy: 0.4404557338940145
Energy: 0.3951042873757341
Energy: 0.4226350813646817
Energy: 0.4408919709075832
Energy: 0.4634796395760895
Energy: 0.42674934162047745
Energy: 0.4410530499018781
Energy: 0.44344021813857454
Energy: 0.42097744005575716
Energy: 0.4827746834980871
Energy: 0.41854054995753176
Energy: 0.4209228587599715
Energy: 0.48317100863046564
Energy: 0.4167969953010183
Energy: 0.42387188413418436
Energy: 0.3945355508164213
Energy: 0.41730333002796627
Energy: 0.41963502570133365
Energy: 0.39465787121515167
Energy: 0.41849413491673343
Energy: 0.42443901584574933

minimum gb energy = 0.39286185229266923 eV
minimum distance =  2.46760247547246 Angstroms
sigma value = 11


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

Energy: 1.2266534022109408
Energy: 0.9489729323956465
Energy: 0.7950396918836494
Energy: 1.1143384731318378
Energy: 0.950039273222937
Energy: 1.2975474503591642
Energy: 0.6232694612857335
Energy: 0.6400811299818737
Energy: 0.646934860809627
Energy: 0.6248798452881548
Energy: 0.6247083824086738
Energy: 0.66321264761893
Energy: 0.6273848370283469
Energy: 0.6392761059093971
Energy: 0.6369611312405157
Energy: 0.6346567343239145
Energy: 0.6368656706811514
Energy: 0.6497916955297339
Energy: 0.6274788247045527
Energy: 0.6396666572137901
Energy: 0.6500615934354985
Energy: 0.6345440259657521
Energy: 0.634688809765854
Energy: 0.6678083616225139
Energy: 0.6232726237915963
Energy: 0.7004415220883445
Energy: 0.7137203162432777
Energy: 0.6348118477675281
Energy: 0.7168426168606238
Energy: 0.67859120790299
Energy: 0.6583688797669269
Energy: 0.6987906292450022
Energy: 0.6785373974941051
Energy: 0.6255259279331593
Energy: 0.8909955851446606
Energy: 0.7369277596392836
Energy: 0.6612845551307228
Energy: 0.6507473046301119
Energy: 0.6459789870657943
Energy: 0.6239816635228758
Energy: 0.7343377912180523
Energy: 0.6645230514564529
Energy: 0.6412882968366965
Energy: 0.716273124674586
Energy: 0.716222677253912
Energy: 0.6524245374483711
Energy: 0.7160049985464283
Energy: 0.7692029586201052
Energy: 0.6605828851013757
Energy: 0.637320502015545
Energy: 0.6804342164394737
Energy: 0.6267074594518879
Energy: 0.6310376849748823
Energy: 0.667654217058582
Energy: 1.0726195425546718
Energy: 0.7361650991931443
Energy: 0.73744859478687
Energy: 0.8793926036784802
Energy: 0.689672462929538
Energy: 0.7061470560094395
Energy: 0.8868240312583805
Energy: 0.7469189582374146
Energy: 0.7331358870189273
Energy: 0.7038696838116113
Energy: 0.6897625834839003
Energy: 0.7019220640651799
Energy: 0.8976720067691126
Energy: 0.6162808145375296
Energy: 0.6765584995878824
Energy: 0.7363464498784582
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Energy: 0.6741138050586654
Energy: 0.859276735346278
Energy: 0.6171819972703676
Energy: 0.6695442823682329
Energy: 0.8169042857694565
Energy: 0.6175830847724345
Energy: 0.642449653499346
Energy: 0.7545525674771371
Energy: 0.7353743792031302
Energy: 0.7343528155683525
Energy: 0.7228978243612632
Energy: 0.7394815774535993
Energy: 0.7343975526352615
Energy: 0.8149923389723823
Energy: 0.9512865401045679
Energy: 0.8220015127666908
Energy: 0.8147036642835968
Energy: 0.8666501288719944
Energy: 0.882151106360044
Energy: 1.0680898610219076
Energy: 0.7407405958705824
Energy: 0.7348524011188559
Energy: 0.7216827730470015
Energy: 0.7108083558613766
Energy: 0.7335322458609572
Energy: 0.9168215978621206
Energy: 0.7874392085973656
Energy: 0.8987988187587335
Energy: 0.8777849484807532
Energy: 1.0242929270973777
Energy: 0.8222097248920586
Energy: 1.0899055433486387
Energy: 0.745886776314461
Energy: 0.7353402384498962
Energy: 0.6473940000066405
Energy: 0.7238940016520984
Energy: 0.7357367948108026
Energy: 1.0828783001241897
Energy: 0.8039108225666131
Energy: 0.705030051364619
Energy: 0.6307709862447501
Energy: 0.8057296428614977
Energy: 0.6994241489324615
Energy: 0.7799659637956535
Energy: 0.8181436631006195
Energy: 0.817070804104971
Energy: 0.7688359181538859
Energy: 0.6427947725940094
Energy: 0.8180687599523402
Energy: 0.890898575632225
Energy: 0.7127763252504175
Energy: 0.7002621772002782
Energy: 0.6475024344966824
Energy: 0.739769625416279
Energy: 0.6991401946327988
Energy: 0.6257786096956418
Energy: 0.9606036065563024
Energy: 0.9607416797956628
Energy: 0.6944261683617857
Energy: 0.8606292851257025
Energy: 0.7430451926069325
Energy: 0.6201859370933649
Energy: 0.7147838521687481
Energy: 0.6991746072064544
Energy: 0.6360070225108162
Energy: 0.6951160819338795
Energy: 0.6873834006245045
Energy: 0.7176867795339434
Energy: 0.6375707820704183
Energy: 0.6706534291176703
Energy: 0.7188715952378875
Energy: 0.6387762809671025
Energy: 0.6379181705286449
Energy: 0.6586158444061374
Energy: 0.6371037160096544
Energy: 0.6659267364295728
Energy: 0.7363895645920504
Energy: 0.6350913897244125
Energy: 0.6542211855316957
Energy: 0.6806414688602674
Energy: 0.6883104431450405
Energy: 0.6976678224620934
Energy: 0.7575910654668012
Energy: 0.6370589029664164
Energy: 0.7401079269431525

minimum gb energy = 0.6162808145375296 eV
minimum distance =  2.39454077629191 Angstroms
sigma value = 41


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

Energy: 1.2587331163079412
Energy: 0.9939028545573845
Energy: 1.3444579598883224
Energy: 1.0210218976426542
Energy: 0.9926133534123428
Energy: 1.0224888067500677
Energy: 0.6806840424946273
Energy: 0.7035924550743661
Energy: 0.6969548157947092
Energy: 0.6934687694769175
Energy: 0.6806582281554068
Energy: 0.7062953684190731
Energy: 0.689336808013573
Energy: 0.7071077500233073
Energy: 0.7091759669459385
Energy: 0.6996776778481553
Energy: 0.7054703019802562
Energy: 0.7086697210435772
Energy: 0.6891231501793816
Energy: 0.7056409041446167
Energy: 0.7011143528363388
Energy: 0.6988772193855367
Energy: 0.7072737335652428
Energy: 0.7039644344363035
Energy: 0.6811062339226922
Energy: 0.6987621668146398
Energy: 0.6952583185790534
Energy: 0.6812190112046408
Energy: 0.7052108739647528
Energy: 0.6967748882377065
Energy: 0.9785198483020489
Energy: 0.698620760948939
Energy: 0.6989162069751432
Energy: 0.8519637281618465
Energy: 0.8624712424054668
Energy: 0.6928748658541564
Energy: 0.7420415541052484
Energy: 0.71451553493927
Energy: 0.7043938422533823
Energy: 0.6854553956649944
Energy: 0.828746350527624
Energy: 0.7155867126189606
Energy: 0.8149039769729135
Energy: 0.8292444649958114
Energy: 0.8293948403155418
Energy: 0.7188662115758037
Energy: 0.8289666751228169
Energy: 0.6641147801408891
Energy: 0.9665028862970723
Energy: 0.7067214601230208
Energy: 0.7032148882556887
Energy: 0.7085252083205565
Energy: 0.7093397403977949
Energy: 0.7057339121090525
Energy: 0.9182333798738231
Energy: 0.8284013994257173
Energy: 0.828524856242075
Energy: 0.9034096478318376
Energy: 0.9911731744864769
Energy: 0.8289391609703783
Energy: 0.9140215433489338
Energy: 0.7042740162851224
Energy: 0.708430728775025
Energy: 0.6827980898323911
Energy: 0.9286358687977069
Energy: 0.7063995792140163
Energy: 1.2248204377079988
Energy: 0.6641121172056144
Energy: 0.6669245185237729
Energy: 0.6888097780813384
Energy: 0.6663229678554373
Energy: 0.709144737825955
Energy: 0.8349742142293506
Energy: 0.680048841312508
Energy: 0.7305344375465139
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Energy: 0.6700228412488701
Energy: 0.8283574894642648
Energy: 0.6991262126946269
Energy: 0.7134350609871767
Energy: 0.6932029573579186
Energy: 0.6981161165102561
Energy: 0.7075495460503843
Energy: 0.8275220436898578
Energy: 0.8551704814040165
Energy: 0.8612846000507759
Energy: 0.828260636383728
Energy: 0.8724723572936951
Energy: 0.8301672176625849
Energy: 0.9087489430763116
Energy: 0.7055236884867703
Energy: 0.7121742074374767
Energy: 0.694699634152419
Energy: 0.7032139576627761
Energy: 0.705172205612778
Energy: 1.1310627234782513
Energy: 0.8526975101354833
Energy: 0.9994580167076816
Energy: 1.0070589253529745
Energy: 0.8496642023824593
Energy: 0.6950500504858229
Energy: 0.693593030064236
Energy: 0.6956493936543929
Energy: 0.6974806156602932
Energy: 0.7469781183258887
Energy: 0.6871042411168352
Energy: 0.6676409449352094
Energy: 0.6889884858809968
Energy: 0.6995829806481833
Energy: 0.7032743490962415
Energy: 0.6976440664656373
Energy: 0.6989596791981693
Energy: 0.7060586973130263
Energy: 0.6898171321927772
Energy: 0.7024556649156803
Energy: 0.706086228400465
Energy: 0.7001594582837298
Energy: 0.698745422601606
Energy: 0.7060048884298853
Energy: 0.6800701212427706
Energy: 0.6985448316505399
Energy: 0.7165546793363538
Energy: 0.6802312746729945
Energy: 0.6941885426930569
Energy: 0.7042773721639659
Energy: 1.1154731679241876
Energy: 0.9068030652442931
Energy: 0.7911873916691138
Energy: 0.99201501350602
Energy: 0.6988966084234391
Energy: 0.6824426939156641
Energy: 0.7368369360469145
Energy: 0.712345227938959
Energy: 0.7035241981140933
Energy: 0.6802861947194407
Energy: 0.7044599758654372
Energy: 0.7013914758346174
Energy: 0.7041564664927032
Energy: 0.8246506937522655
Energy: 0.8233807362168596
Energy: 0.7322716110916639
Energy: 0.8176609441161778
Energy: 0.6647524927498986
Energy: 0.9639692112546655
Energy: 0.7093098665405616
Energy: 0.7040904744052173
Energy: 0.7096272272996946
Energy: 0.8283059458443052
Energy: 0.7231270319090629
Energy: 0.9137953641603159
Energy: 0.7053908809206303
Energy: 0.7085464106694026
Energy: 0.6921419195361943
Energy: 0.9298780092697893
Energy: 0.7072551334722815
Energy: 0.9174289066887111
Energy: 0.8284764316898349
Energy: 0.8282582051294903
Energy: 0.8906881160459209
Energy: 0.8288353254590858
Energy: 0.8290713189798697
Energy: 1.2003193547011117
Energy: 0.6691497725976572
Energy: 0.7039952821255824
Energy: 0.7105970565016002
Energy: 0.6688151623557501
Energy: 0.7079673902872933
Energy: 1.0577004333823472
Energy: 0.8868039116764821
Energy: 0.7303087280148353
Energy: 0.9911661420772454
Energy: 0.665922493920663
Energy: 0.9749994857188999
Energy: 0.6764191260780543
Energy: 0.6971668671079733
Energy: 0.7169027009883668
Energy: 0.6956960537892123
Energy: 0.7943808357200888
Energy: 0.7043983164301936
Energy: 0.8284065579121151
Energy: 0.6990884956952924
Energy: 0.7037866697472508
Energy: 0.8284759310756178
Energy: 0.7050907132615762
Energy: 0.8298386991485579
Energy: 0.9075749707540586
Energy: 0.7019511040342912
Energy: 0.7061634817511986
Energy: 0.8260079663253106
Energy: 0.6973420830261082
Energy: 0.7046159643463268
Energy: 1.130205363116058
Energy: 0.684351592061132
Energy: 0.6674987669338845
Energy: 1.0078415733086787
Energy: 0.6887461452993966
Energy: 0.6681358050538319

minimum gb energy = 0.6641121172056144 eV
minimum distance =  2.42001573722335 Angstroms
sigma value = 33


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

Energy: 0.897485354939857
Energy: 0.8072479101133994
Energy: 0.8100504678777771
Energy: 0.7354572767026709
Energy: 0.8074572176170389
Energy: 0.8063002589634727
Energy: 0.7444092654741294
Energy: 0.7632226467128973
Energy: 0.7563404723178397
Energy: 0.7570484548668915
Energy: 0.7439883808072939
Energy: 0.7545842861608008
Energy: 0.7592174518406052
Energy: 0.7595768687046829
Energy: 0.754199511723198
Energy: 0.7647816250657498
Energy: 0.7667332707785542
Energy: 0.7509876990307136
Energy: 0.7575490265021118
Energy: 0.7653733148755851
Energy: 0.7599885191505502
Energy: 0.7634506611104657
Energy: 0.759414773770943
Energy: 0.7507816835542478
Energy: 0.7450673643378848
Energy: 0.7460987929211774
Energy: 0.7322891771849174
Energy: 0.7450212100482717
Energy: 0.7605387274129122
Energy: 0.7635486757286926
Energy: 1.0684479389034522
Energy: 0.7440682481757882
Energy: 0.7628971984019831
Energy: 0.74476234369873
Energy: 0.7641387861537147
Energy: 0.7629399973762137
Energy: 0.8291736644798925
Energy: 0.7201814445940101
Energy: 0.7245501413682862
Energy: 0.7506481985367688
Energy: 0.7265969163961866
Energy: 0.7445520091328809
Energy: 0.900407465976794
Energy: 0.970384425899287
Energy: 0.7262556106146696
Energy: 0.725069080373239
Energy: 0.970138290284379
Energy: 0.726434877460565
Energy: 0.7673426208212222
Energy: 0.7199906821595488
Energy: 0.7298327117325433
Energy: 0.7946580971873163
Energy: 0.7190402149935798
Energy: 0.7334099972749588
Energy: 1.092571579319061
Energy: 0.7666968113540235
Energy: 0.7325120364299347
Energy: 0.7653822123480133
Energy: 0.7541933683680659
Energy: 0.7525596889582579
Energy: 0.7696580210686019
Energy: 0.732664448614017
Energy: 0.7349336123404422
Energy: 0.7510594629748331
Energy: 0.7275554813057699
Energy: 0.75087474103589
Energy: 1.0680662315493916
Energy: 0.7244476437833866
Energy: 0.7253443417454658
Energy: 0.7856866370668205
Energy: 0.7291867691781807
Energy: 0.7452438335162139
Energy: 0.7726472354700433
Energy: 0.7250188111017907
Energy: 0.7251703469094857
Energy: 0.7736092925885767
Energy: 0.724825426920993
Energy: 0.7696049698259291
Energy: 0.7498921408179164
Energy: 0.7654763519592928
Energy: 0.7573044237345671
Energy: 0.7513312730298435
Energy: 0.7634334339526316
Energy: 0.7443603326835603
Energy: 0.7360155336295762
Energy: 0.7680819910022549
Energy: 0.7527462677804002
Energy: 0.7840028552968265
Energy: 0.7983331845924281
Energy: 0.7646033817678288
Energy: 0.7433089073799948
Energy: 0.7544932618941024
Energy: 0.7441860192750209
Energy: 0.7612945415164969
Energy: 0.744119972004423
Energy: 0.7448633141640583
Energy: 1.073695755902253
Energy: 0.7463464748207341
Energy: 0.7640611172742727
Energy: 0.764800042697329
Energy: 0.7441200864555736
Energy: 0.7642703308726178
Energy: 1.0921593325632073
Energy: 0.7448443337682495
Energy: 0.7665232192358397
Energy: 0.753059379330421
Energy: 0.7449876964205232
Energy: 0.7318958193030418
Energy: 1.0435571344957415
Energy: 0.7269749708988449
Energy: 0.7261804215077506
Energy: 0.7234805191929232
Energy: 0.7900456569387004
Energy: 0.7253227748912274
Energy: 0.7284276121479398
Energy: 0.7311252375339969
Energy: 0.7281212813906791
Energy: 0.7285667463052059
Energy: 0.7899370951275162
Energy: 0.7194346215394706
Energy: 0.719251505687519
Energy: 0.7652259566065414
Energy: 0.7760708872832006
Energy: 0.7197178189167578
Energy: 0.7945206441218081
Energy: 0.7246656795755129
Energy: 1.0072500761704113
Energy: 0.7563498777506654
Energy: 0.7521180803615716
Energy: 1.0066194870521274
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Energy: 0.7606171732110789
Energy: 0.7428410512025343
Energy: 0.7477392794657445
Energy: 0.746491261753399
Energy: 0.7191168480272854
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Energy: 0.7267793627087064
Energy: 0.89865067328314
Energy: 0.7679833133612
Energy: 0.7926592462746669
Energy: 0.7266061769147444
Energy: 1.0426241006355352
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Energy: 0.7650523959691109
Energy: 0.7632573778817889
Energy: 0.7617317401792809
Energy: 0.7604561898679871
Energy: 0.7446718283128004
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Energy: 0.7578807841387175
Energy: 0.759070909125586
Energy: 0.7570875735216492
Energy: 0.7636075132064015
Energy: 0.7649834656527694
Energy: 0.7513363385885248
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Energy: 0.7513617557547762
Energy: 0.7646632797594747
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Energy: 0.7514658657558253
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Energy: 1.0656750946816465
Energy: 0.7454848620569997
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Energy: 0.9882160540130954
Energy: 0.7627629820352473
Energy: 0.7637752773063239
Energy: 0.8200988619239195
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Energy: 0.9001677820396884
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Energy: 0.7540007656514187
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Energy: 0.7291414826516072
Energy: 0.7670540810758266
Energy: 0.7636213120455074
Energy: 0.7596240684634559
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Energy: 0.7281312735518888
Energy: 0.7851790962640407
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Energy: 0.7252213482768413
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Energy: 0.7744026517780697
Energy: 0.7263750577898489
Energy: 0.7962087968179987
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Energy: 0.7523535987892881
Energy: 0.7516522241525168
Energy: 0.7430729606485325
Energy: 0.7559181002551381
Energy: 0.7442937410261565
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Energy: 0.7602155204391478
Energy: 0.7528364300504709
Energy: 0.7356844586273882
Energy: 0.7613744711150027
Energy: 0.775211968566737
Energy: 0.7420934553846488
Energy: 0.7533238574951066
Energy: 0.7389605966940269
Energy: 0.7590020827249101
Energy: 0.7573712055320444
Energy: 0.7449281948925077
Energy: 1.0733882402327763
Energy: 0.7462292620832739
Energy: 0.7513878794975996
Energy: 0.7647256631793041
Energy: 0.7431362480464566
Energy: 0.7637575227765153
Energy: 1.0944513868965848
Energy: 0.7447921139704387
Energy: 0.754579973523621
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Energy: 0.7329136326449178
Energy: 0.7509900371750265
Energy: 0.7275603283173752
Energy: 0.7280358041208685
Energy: 0.7230583878057156
Energy: 0.7898006362143255
Energy: 0.7249399380710847
Energy: 0.7274442595469288
Energy: 0.7255929960673809
Energy: 0.7268206537450969
Energy: 0.7260783703407994
Energy: 0.7921713091992406
Energy: 0.7265360557667263
Energy: 0.7177829171467278
Energy: 0.7872329506306947
Energy: 0.7332718498336822
Energy: 0.7188776649516448
Energy: 0.7945442626641122
Energy: 0.732128038093944
Energy: 0.9763872404857618
Energy: 0.7587550033643381
Energy: 0.7524231636466675
Energy: 0.7804828755627641
Energy: 0.7734704097626107
Energy: 0.7757352188415775
Energy: 0.7428676947155924
Energy: 0.7629043669601916
Energy: 0.760186968505806
Energy: 0.7263125860153561
Energy: 0.7503055593615755
Energy: 0.7247111730845303
Energy: 1.4100496026995646
Energy: 0.7910467154552835
Energy: 0.7961159754449697
Energy: 0.7290518666560488
Energy: 0.7737283431986379
Energy: 0.720221465884874

minimum gb energy = 0.7177829171467278 eV
minimum distance =  2.40352176994217 Angstroms
sigma value = 67


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

Energy: 1.0231983941377987
Energy: 0.8247750404442955
Energy: 0.7998946252141047
Energy: 0.8002198849602384
Energy: 0.8248593730788177
Energy: 0.7991769494104957
Energy: 0.9199094570814563
Energy: 0.8030422766135009
Energy: 0.8010453126075738
Energy: 0.8246121288052136
Energy: 0.8634628565635478
Energy: 0.8011047503826737
Energy: 0.8532403799188734
Energy: 0.7932096842889166
Energy: 0.834290789648767
Energy: 0.8387333777448809
Energy: 0.7929374468012924
Energy: 0.8330201310710906
Energy: 0.8458285245984082
Energy: 0.80093269511054
Energy: 0.8192527068838157
Energy: 0.8435145876070026
Energy: 0.8277140165465416
Energy: 0.8218889378806158
Energy: 0.8261903731681431
Energy: 0.8034710565162149
Energy: 0.8223628433817483
Energy: 0.8266151837506368
Energy: 0.8069005350445579
Energy: 0.8308066770424465
Energy: 0.8231063216198098
Energy: 0.8250443731317456
Energy: 0.8232475762378688
Energy: 0.8238740742534023
Energy: 0.805857488878843
Energy: 0.8296105956372888
Energy: 0.9614800715002773
Energy: 0.8031474010222368
Energy: 0.8010930953751216
Energy: 0.8640751363201609
Energy: 0.8061259593702678
Energy: 0.8016846857253465

minimum gb energy = 0.7929374468012924 eV
minimum distance =  2.4134493630879 Angstroms
sigma value = 3


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

Energy: 1.2252116823377184
Energy: 1.0016331667359528
Energy: 0.9937046018908043
Energy: 0.9876000617166917
Energy: 1.0583553880946523
Energy: 0.9960579017025981
Energy: 0.952362141171175
Energy: 0.8962724337456173
Energy: 0.9221607103944363
Energy: 0.977735708748206
Energy: 0.9196478014448553
Energy: 0.9542318785946177
Energy: 0.9828304692470896
Energy: 0.9452001240120529
Energy: 0.9415748838528534
Energy: 0.9813183394647439
Energy: 0.9431228087199389
Energy: 0.9537277991580249
Energy: 0.9472969426750851
Energy: 0.9553890648265939
Energy: 0.9557314888151306
Energy: 0.9483225471465662
Energy: 0.9434341540457603
Energy: 0.9537171941233978
Energy: 0.9023870092966563
Energy: 0.9206294678283493
Energy: 0.9249440499374121
Energy: 0.9033717636413404
Energy: 0.922963086208318
Energy: 0.9217443911679404
Energy: 0.9216494544064066
Energy: 0.921566802901566
Energy: 0.9267048459143102
Energy: 0.9330617021179418
Energy: 0.9211109508286253
Energy: 0.924908533402546
Energy: 0.8992987980138237
Energy: 0.9191117662461923
Energy: 0.9270559939436351
Energy: 0.9170840097668516
Energy: 0.9432494601220334
Energy: 0.9528270700050061
Energy: 0.9463118337722609
Energy: 1.0068812757238257
Energy: 0.9598077789176455
Energy: 0.9701558496696203
Energy: 1.040060958419919
Energy: 0.9481444374126475
Energy: 0.9663451038528763
Energy: 0.9182926470118898
Energy: 0.9262006490076988
Energy: 0.9643364797775306
Energy: 0.9172702494178389
Energy: 0.9610290039436554
Energy: 1.0101403579433923
Energy: 0.9695045059071248
Energy: 0.9699025064769158
Energy: 1.0133787861939316
Energy: 0.959160403059075
Energy: 0.9263753645035684
Energy: 0.9464600488406998
Energy: 0.9516991857189492
Energy: 0.941457928953049
Energy: 0.923624953125996
Energy: 0.9216425783010406
Energy: 0.9229169678636145
Energy: 0.9173270345775691
Energy: 0.9176577366531983
Energy: 0.9207123431539374
Energy: 0.915667391124681
Energy: 0.9185456636704771
Energy: 0.9227666570106453
Energy: 0.8986194942418334
Energy: 0.9288205979748148
Energy: 0.9293350187861205
Energy: 0.9080114391180899
Energy: 0.9306997688363184
Energy: 0.9305819765821044
Energy: 0.9139956415415613
Energy: 0.9416450719583855
Energy: 0.945654126201825
Energy: 0.8884366239557195
Energy: 0.9390311126939138
Energy: 0.9375653114276775
Energy: 0.9296051856025208
Energy: 1.0332984838562504
Energy: 0.9698627464415879
Energy: 0.9294367930028697
Energy: 0.9768758138894347
Energy: 0.9621878610154097
Energy: 0.9031454561949
Energy: 0.9722505234657388
Energy: 0.9689530377411827
Energy: 0.911553758603315
Energy: 0.9757738692146581
Energy: 0.953669871635644
Energy: 1.0344530115465513
Energy: 0.9501494018810283
Energy: 0.9471999033365629
Energy: 1.0151605926650709
Energy: 0.9510698013768124
Energy: 0.9122026990177139
Energy: 0.8910938951590747
Energy: 0.9438558890980936
Energy: 0.9040307858848909
Energy: 0.9113989836329263
Energy: 0.9492296727886833
Energy: 0.9078811566589239
Energy: 1.1023930238611468
Energy: 0.9645373289374647
Energy: 0.9604956399520383
Energy: 0.9547187190031395
Energy: 0.9751119640713543
Energy: 0.963898878944745
Energy: 0.9934269838447989
Energy: 0.9653945839944819
Energy: 0.961419243186755
Energy: 0.9546574707933415
Energy: 1.0065568441142767
Energy: 0.9693833954722523
Energy: 0.8956615755648226
Energy: 0.9102433511995084
Energy: 0.9067756776021338
Energy: 0.903277528878034
Energy: 0.9010329603699982
Energy: 0.9070178749775653
Energy: 0.895085527022619
Energy: 0.913761943203845
Energy: 0.9146985846557798
Energy: 0.9121952070132903
Energy: 0.9140154620133261
Energy: 0.9135743126912717
Energy: 0.9774920893116242
Energy: 0.8990556389643287
Energy: 0.9060740033259854
Energy: 0.9793028868536625
Energy: 0.8918609280730493
Energy: 0.9022371944760474
Energy: 0.905600398721125
Energy: 0.9717319044752251
Energy: 0.9762808381669745
Energy: 0.9405013860315388
Energy: 0.9704246198243724
Energy: 0.9335642068236165
Energy: 0.9263635859285314
Energy: 0.9337194216184959
Energy: 0.935501604973391
Energy: 0.931485947181307
Energy: 0.9241692815411539
Energy: 0.9514823405889702
Energy: 0.8743765396895262
Energy: 0.8946130244504341
Energy: 0.8920925398771332
Energy: 0.936858064634926
Energy: 0.9297663576439406
Energy: 0.9386693765075618
Energy: 0.8795761808517287
Energy: 0.8936491764185941
Energy: 0.8909618412039061
Energy: 0.9473155730206738
Energy: 0.8956954710469446
Energy: 0.9457553209263702
Energy: 0.9353168148830693
Energy: 0.9411093187356527
Energy: 0.9499492008017668
Energy: 0.9286664517213682
Energy: 0.9418678522972204
Energy: 0.9362875202789294
Energy: 0.9475182662572715
Energy: 0.9461823951544384
Energy: 0.949136866750073
Energy: 0.9437966930716624
Energy: 0.9408119106525223
Energy: 0.9337962719329117
Energy: 0.957958301552209
Energy: 0.9404556333772124
Energy: 0.9433169795383055
Energy: 0.9619704287561792
Energy: 0.9058235806676831
Energy: 0.9309327938317548
Energy: 0.9268026979429923
Energy: 0.9372210949399113
Energy: 0.9367679159736919
Energy: 0.9416213545669134
Energy: 0.9451745372738849
Energy: 0.9279411551213357
Energy: 0.9107831547290033
Energy: 0.9424194791991797
Energy: 0.9369595426901263
Energy: 0.9135821700936811
Energy: 0.9181116800870848
Energy: 0.9343078226749857
Energy: 1.1553894794614443
Energy: 1.0209249061147432
Energy: 0.9208390321319547
Energy: 0.9566174540001501
Energy: 1.0480752406921738
Energy: 0.9417442897541176
Energy: 0.9494455117438367
Energy: 0.9168458389302477
Energy: 0.9180154858394449
Energy: 0.9387064677612663
Energy: 0.9159846767258404
Energy: 0.9210254174252854
Energy: 0.9239683397798769
Energy: 0.9630840160876386
Energy: 0.9389237270163469
Energy: 0.9312637214234425
Energy: 0.9459428328320681
Energy: 0.9329985977666265
Energy: 0.9957526215719762
Energy: 0.969630590133127
Energy: 0.9762207559258932
Energy: 1.009013053274797
Energy: 0.9522721282492053
Energy: 0.9374086232899499
Energy: 0.943494250084794
Energy: 0.9231235235572817
Energy: 0.9227173821499826
Energy: 0.9113551169180006
Energy: 0.9227749102282113
Energy: 0.9189921981317278
Energy: 0.899525325723131
Energy: 0.9283863048664193
Energy: 0.9323125544898497
Energy: 0.9083402991619354
Energy: 0.9352258704722759
Energy: 0.9205016101996695
Energy: 0.9134952416953848
Energy: 0.9025611355297479
Energy: 0.9225272711514992
Energy: 0.8934609225703773
Energy: 0.9050633484120503
Energy: 0.9244326105440975
Energy: 0.9297875106584437
Energy: 0.970745167530516
Energy: 0.9625726704672138
Energy: 0.9311819777045359
Energy: 0.9762204945234001
Energy: 0.9636646003247488
Energy: 0.9924788735586547
Energy: 0.9643771646904205
Energy: 0.9622620537999351
Energy: 0.9518081128868922
Energy: 0.9549605410228066
Energy: 0.9594322271675059
Energy: 0.9372485940254222
Energy: 0.9372941570343896
Energy: 0.9176257417131869
Energy: 0.940297475555491
Energy: 0.9539860254822541
Energy: 0.8960137440434862
Energy: 0.8811166763619286
Energy: 0.9491228764738153
Energy: 0.951076135502587
Energy: 0.9012211760865632
Energy: 0.9445138795259695
Energy: 0.909332991724467
Energy: 0.8802665867119076
Energy: 0.9668403371992711
Energy: 0.9669197299994142
Energy: 0.9156169774493366
Energy: 0.9646616527080193
Energy: 0.9555358906746164
Energy: 1.109845093623484
Energy: 1.0051207143245113
Energy: 0.9816947523097852
Energy: 0.9710728921755768
Energy: 1.000284876836848
Energy: 1.0126265965065973
Energy: 0.8797357999902862
Energy: 0.9494067905521031
Energy: 0.9320957505395147
Energy: 0.8902562753302515
Energy: 0.9847801451064576
Energy: 0.892129244980635
Energy: 0.8820914924783316
Energy: 0.9065509067645614
Energy: 0.9045687052261114
Energy: 0.9037655253835392
Energy: 0.9091681421883698
Energy: 0.904669397495168
Energy: 0.8845086429950395
Energy: 0.897985695623081
Energy: 0.8962995642014142
Energy: 0.8857940301318724
Energy: 0.9000505534658615
Energy: 0.8960591243860141
Energy: 0.9935578928333009
Energy: 0.9499779265224584
Energy: 0.9527597429949596
Energy: 0.9818485817240507
Energy: 0.9576661880969096
Energy: 0.9529303954257136
Energy: 0.9836628590741542
Energy: 0.9506425018726071
Energy: 0.9509787313102857
Energy: 0.9795174885814548
Energy: 0.9456281747628875
Energy: 0.958683245078544
Energy: 0.9349418358736851
Energy: 0.8998852512329992
Energy: 0.8989041001230642
Energy: 0.9845390949098922
Energy: 0.9030268094210548
Energy: 0.9263624466367318

minimum gb energy = 0.8743765396895262 eV
minimum distance =  2.33794494193312 Angstroms
sigma value = 81


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

Energy: 1.425053755621111
Energy: 1.087843098010775
Energy: 0.9724778471976898
Energy: 0.99900967027715
Energy: 1.0879909283202054
Energy: 0.9997373119702411
Energy: 0.9283695506798783
Energy: 0.9307868865509065
Energy: 0.9251725943485214
Energy: 0.8966142399154466
Energy: 0.93293392991416
Energy: 0.8875135816568602
Energy: 0.9214081883177244
Energy: 0.8841707414349937
Energy: 0.8853989786287672
Energy: 0.9726633827376585
Energy: 0.8845143441043827
Energy: 0.951933289475093
Energy: 0.8813856930739227
Energy: 0.8843650362079953
Energy: 0.9103654178301129
Energy: 0.896655335216368
Energy: 0.8828948900577
Energy: 0.9245659437648253
Energy: 0.9399463864997893
Energy: 0.9336996211786307
Energy: 0.9335578007699658
Energy: 0.9403209916933676
Energy: 0.9343729567852819
Energy: 0.9357180377702552
Energy: 0.9324110255005418
Energy: 0.935514716732687
Energy: 0.9356401118805303
Energy: 0.9734257925419344
Energy: 0.9378594186334365
Energy: 0.9356508063649062
Energy: 1.1269959175630901
Energy: 0.8930172035902633
Energy: 0.8908579739902283
Energy: 0.9338295559790712
Energy: 0.8947918784062251
Energy: 0.8736235749348431
Energy: 0.8827310337720463
Energy: 0.983779956469249
Energy: 0.9836327247115789
Energy: 0.9253940342388143
Energy: 0.9989744225760587
Energy: 0.9487627467538369
Energy: 1.1326146069530327
Energy: 0.9051572163645462
Energy: 0.9535476029178039
Energy: 0.941780663209644
Energy: 0.9107813915885034
Energy: 0.9307983063965408
Energy: 0.9898620325590533
Energy: 0.9290010826679574
Energy: 0.9283835470521399
Energy: 0.9899984411022056
Energy: 0.9369535169403532
Energy: 0.9287779115043736
Energy: 0.9265780879278853
Energy: 0.928507763429852
Energy: 0.928371628450165
Energy: 0.9278261348968558
Energy: 0.8966351281557764
Energy: 0.9335273567500333
Energy: 0.8818474575756661
Energy: 0.9064050560304294
Energy: 0.9069635019187663
Energy: 0.8843559647805859
Energy: 0.9061658453686195
Energy: 0.9055211514632873
Energy: 0.8817355005609254
Energy: 0.9103423695812594
Energy: 0.9101202195636258
Energy: 0.8826858419483858
Energy: 0.9060330990478679
Energy: 0.8842467745632588
Energy: 0.9064533911502035
Energy: 0.9488628890593107
Energy: 0.9400117411099747
Energy: 0.8880944526723777
Energy: 0.9463312071858221
Energy: 0.939470196812756
Energy: 0.9848800679207929
Energy: 0.9403786122113073
Energy: 0.9401674702488451
Energy: 0.9316627506662631
Energy: 0.9778274580388333
Energy: 0.938109503303477
Energy: 0.9070536591160367
Energy: 0.9493124435714629
Energy: 0.9493457056213622
Energy: 0.9083995864052589
Energy: 0.9348365610992982
Energy: 0.9485228969478584
Energy: 0.9923608785488556
Energy: 0.9251670382642656
Energy: 0.9484714463563498
Energy: 1.0078134075723153
Energy: 0.9220363036742535
Energy: 0.9487165408250132
Energy: 0.880794232714263
Energy: 0.9700799333730052
Energy: 0.9666582025711218
Energy: 0.9165667091045423
Energy: 0.8816934308975409
Energy: 0.9137575421069862
Energy: 1.0192403154159078
Energy: 0.9332020825010561
Energy: 0.9295614262462581
Energy: 0.9293289396621451
Energy: 0.9289230168256738
Energy: 0.92978567248171
Energy: 1.0157433893952907
Energy: 0.9326683037903456
Energy: 0.9294977598915368
Energy: 0.9295450127899554
Energy: 0.9376973176239328
Energy: 0.9288180718043788
Energy: 0.8806504125126783
Energy: 0.9022443924287623
Energy: 0.9174848188002988
Energy: 0.9160751538810481
Energy: 0.8758830357613491
Energy: 0.9159587489831947
Energy: 0.9128005192254918
Energy: 0.8815564832652968
Energy: 0.8813527232482973
Energy: 0.9102929296411512
Energy: 0.8822111580141362
Energy: 0.8817191674528241
Energy: 0.9587037216668427
Energy: 0.9006662602878766
Energy: 0.899156702929284
Energy: 0.9601370020705232
Energy: 0.8960370828051162
Energy: 0.8993135795440795
Energy: 0.9429640732164202
Energy: 0.9378329835672633
Energy: 0.9478298441277285
Energy: 0.9458314768307836
Energy: 0.9366038799863994
Energy: 0.9481878819885441
Energy: 0.9590583908356797
Energy: 0.9513362684632085
Energy: 0.9433951406262654
Energy: 0.9435929479767451
Energy: 0.9622745923471386
Energy: 0.9446027286124842
Energy: 0.8649245997690198
Energy: 0.903542874415751
Energy: 0.909960703211559
Energy: 0.9135118868820917
Energy: 0.905949864946512
Energy: 0.9110486090109439
Energy: 0.8663753701605689
Energy: 0.9036264249166219
Energy: 0.9038401698861922
Energy: 0.9137562414342656
Energy: 0.9060122426863544
Energy: 0.9088793648281374
Energy: 0.9206939635891228
Energy: 0.889152701566501
Energy: 0.9333245572621441
Energy: 0.9278628509340592
Energy: 0.896505001582978
Energy: 0.9332499119009876
Energy: 0.9927993865906676
Energy: 0.9283795041174842
Energy: 0.9282847487181253
Energy: 0.9847106763473137
Energy: 0.931145926963903
Energy: 0.9288332526241057
Energy: 0.9358314929783166
Energy: 0.8993899677492784
Energy: 0.8872792713181689
Energy: 0.886800679950801
Energy: 0.9119753689200798
Energy: 0.8965970965191185
Energy: 0.8817548142356522
Energy: 0.9121873282703059
Energy: 0.905139156001032
Energy: 0.8839247135027793
Energy: 0.9142004568281105
Energy: 0.8819101871977036
Energy: 0.9253444361791029
Energy: 0.8836349083326256
Energy: 0.8932323789559211
Energy: 0.8903509978465278
Energy: 0.8742671799328713
Energy: 0.8932187781356289
Energy: 0.9858036744576628
Energy: 0.937977483042736
Energy: 0.9378563678422892
Energy: 0.9425810271148991
Energy: 0.9284863453549317
Energy: 0.9256536431954706
Energy: 0.9813885869370067
Energy: 0.9310676406580847
Energy: 0.9312464819420265
Energy: 0.931443176597703
Energy: 0.9333404477566827
Energy: 0.9313343993351285
Energy: 0.897911026600275
Energy: 0.9343925600767473
Energy: 0.9073121775393035
Energy: 0.918885450106289
Energy: 0.9244003516592096
Energy: 0.9034399632647293
Energy: 1.0743454122435663
Energy: 0.9155421402499797
Energy: 0.9543361829710281
Energy: 1.0438568061340487
Energy: 0.9266379006921271
Energy: 0.9806715459578604
Energy: 0.9281111196893864
Energy: 0.9307762346005827
Energy: 0.9250974964890338
Energy: 0.8969682854217442
Energy: 0.9322904024565715
Energy: 0.9342059101225361
Energy: 1.0988199154027152
Energy: 1.0192815963853834
Energy: 1.0082247398707742
Energy: 0.9412023101080913
Energy: 1.0201052460393227
Energy: 0.9631045349493688

minimum gb energy = 0.8649245997690198 eV
minimum distance =  2.31099840213656 Angstroms
sigma value = 43


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

Energy: 1.2683181669211832
Energy: 0.9980667511715287
Energy: 0.986285979623873
Energy: 1.0157472704379504
Energy: 0.8967273457689421
Energy: 1.033206246077301
Energy: 0.9362233314374075
Energy: 0.8941495925745924
Energy: 0.8915592534852365
Energy: 0.8954326618956192
Energy: 0.8979363073326547
Energy: 0.9047747620224543
Energy: 0.9447140569611677
Energy: 0.9035091249396806
Energy: 0.9034886435882988
Energy: 0.9975610380416001
Energy: 0.9344310381903392
Energy: 0.9257394869555275
Energy: 0.9250089260794991
Energy: 0.9283374685762608
Energy: 0.9378929834744476
Energy: 0.9250650317449461
Energy: 0.918049298428432
Energy: 0.9226978412482804
Energy: 0.8749062184573463
Energy: 0.8734053239158515
Energy: 0.8777414802312284
Energy: 0.8662965420623719
Energy: 0.886707038284481
Energy: 0.8883249725332201
Energy: 0.8745966404740472
Energy: 0.8922158414137372
Energy: 0.8922109565157417
Energy: 0.8768429896893535
Energy: 0.892030540910784
Energy: 0.8852618609153
Energy: 0.8657481331157865
Energy: 0.9212992749739428
Energy: 0.921251321455502
Energy: 0.8908081878785801
Energy: 0.9388895794843888
Energy: 0.9139946152530033
Energy: 0.9896160311530559
Energy: 0.9504978464542218
Energy: 0.9576081017839378
Energy: 0.8909126554491498
Energy: 0.9404656324911834
Energy: 0.9218440712481334
Energy: 0.9228079540832591
Energy: 0.9440623995156543
Energy: 0.9339449320423652
Energy: 0.8972377644028007
Energy: 0.940178822626459
Energy: 0.8953955384260671
Energy: 0.8702039122585045
Energy: 0.9505914137639123
Energy: 0.9541261742738011
Energy: 0.8959171272123773
Energy: 0.9550117603086278
Energy: 0.9471433627093655
Energy: 0.8791951179308504
Energy: 0.9601874240371101
Energy: 0.9037511913116367
Energy: 0.8950957287569173
Energy: 0.9547051802860569
Energy: 0.8911477314052286
Energy: 1.0120406034848186
Energy: 0.9436297699387343
Energy: 0.9439815999227372
Energy: 0.8655403707709873
Energy: 0.9440100294788567
Energy: 0.9435104808385755
Energy: 0.9800027828425729
Energy: 0.9257290405805036
Energy: 0.9678125735479671
Energy: 0.91712656845549
Energy: 0.9443609405383956
Energy: 0.9671854269975834
Energy: 0.884142780988188
Energy: 0.9252906946657328
Energy: 0.8898835403144536
Energy: 0.8931127584683394
Energy: 0.8747690012899653
Energy: 0.8921606922238917
Energy: 0.8879176533155712
Energy: 0.9043763919838919
Energy: 0.9045995777677613
Energy: 0.9045665771017722
Energy: 0.8841621367876012
Energy: 0.8858095274768844
Energy: 0.8832112999941883
Energy: 0.8846007573508134
Energy: 0.8773060308337051
Energy: 0.8845774406037603
Energy: 0.8969590793551987
Energy: 0.87587843199123
Energy: 0.9093300603951225
Energy: 0.8886739754361513
Energy: 0.8963566671196439
Energy: 0.9026722341658956
Energy: 0.9005528585579788
Energy: 0.9054361118795117
Energy: 0.9090095870656654
Energy: 0.903445044547462
Energy: 0.9054418114584294
Energy: 0.9110368905528407
Energy: 0.9381952182314166
Energy: 0.9054958542999373
Energy: 0.9170448347280901
Energy: 0.9050448972765549
Energy: 0.9051096984182126
Energy: 0.9530286972235824
Energy: 0.9158701581290984
Energy: 0.9232798532308382
Energy: 0.9181949440220253
Energy: 0.9051399224527155
Energy: 0.9050021560465693
Energy: 0.9230182988662786
Energy: 0.9071684055681539
Energy: 0.9413878865773713
Energy: 0.9097059616477543
Energy: 0.9374169734794181
Energy: 0.9053181462347656
Energy: 0.9075428717540043
Energy: 0.8943280354496109
Energy: 0.9028466521430742
Energy: 0.9892223409428019
Energy: 0.9744935307353159
Energy: 0.9720167174998868
Energy: 0.9567368702331551
Energy: 0.908617052263995
Energy: 1.0025062919689374
Energy: 0.9736697582786176
Energy: 0.9053641619018834
Energy: 0.9047909363575138
Energy: 0.9050534475195933
Energy: 0.9058157534239063
Energy: 0.935310274385472
Energy: 0.963315184567814
Energy: 0.9051452067425616
Energy: 0.9049973850536285
Energy: 0.9072803474815541
Energy: 0.9209905173216341
Energy: 0.9046567410255947
Energy: 0.9164986362404701
Energy: 0.8962258013318638
Energy: 0.8999562912236228
Energy: 0.8793693529210649
Energy: 0.9030186371938441
Energy: 0.8969794611163873
Energy: 0.929559271222073
Energy: 0.9045471355596324
Energy: 0.9032363119439258
Energy: 0.8968916657311683
Energy: 0.8905254997742265
Energy: 0.892621007099688
Energy: 0.9217679950944775
Energy: 0.891417614445188
Energy: 0.8957675638864743
Energy: 0.8921775204339569
Energy: 0.8913247953229357
Energy: 0.8947310276011552
Energy: 0.9532169310195755
Energy: 0.898025524375211
Energy: 0.9429966270046949
Energy: 0.9260115889019181
Energy: 0.8952751630085286
Energy: 0.9255598571784626
Energy: 1.0216063808182083
Energy: 0.9328964165753068
Energy: 0.9329397818931319
Energy: 1.0336353637780245
Energy: 0.8915680489061417
Energy: 0.9329645623774185
Energy: 0.9366662159408229
Energy: 0.8946807944760722
Energy: 0.8877977968226048
Energy: 0.9345793331534766
Energy: 0.897501426434914
Energy: 0.8986545090001271
Energy: 0.8489718343025481
Energy: 0.9002439643896912
Energy: 0.9167287385861125
Energy: 0.9680102132793256
Energy: 0.8915110515338739
Energy: 0.9166577460566806

minimum gb energy = 0.8489718343025481 eV
minimum distance =  2.32677170307747 Angstroms
sigma value = 57


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

Energy: 0.9611759955278905
Energy: 0.9589045287387813
Energy: 0.9781423692966128
Energy: 0.881956086778197
Energy: 0.9078610457537013
Energy: 0.9892620832550468
Energy: 0.8827360104459935
Energy: 0.8844245768967541
Energy: 0.883967466368593
Energy: 0.898864505475563
Energy: 0.9214977035075739
Energy: 0.8597459897468483
Energy: 1.051410886695759
Energy: 0.8699668203802913
Energy: 0.868690863067252
Energy: 0.9218632962342093
Energy: 0.8733814022920205
Energy: 0.8689132718146425
Energy: 0.8560457883512216
Energy: 0.8685581155529796
Energy: 0.8688390990167913
Energy: 0.8569806751958121
Energy: 0.8554886965579843
Energy: 0.9207708854366001
Energy: 0.8735948722479279
Energy: 0.8627842446998583
Energy: 0.8752987066916519
Energy: 0.8741243352400143
Energy: 0.8551743698945536
Energy: 0.8751470536231377
Energy: 0.9488839761901258
Energy: 0.8759834197785857
Energy: 0.8743989273278022
Energy: 0.8749421335663952
Energy: 0.8749009689817984
Energy: 0.873890896054609
Energy: 0.9081388922363661
Energy: 0.8944206802254613
Energy: 0.8942802169686846
Energy: 0.8593916266190621
Energy: 0.8962607553984643
Energy: 0.8816151914563551
Energy: 0.8982641251386648
Energy: 0.9281418262191069
Energy: 0.927251233559253
Energy: 0.8787911127264677
Energy: 0.9279380305354284
Energy: 0.920999950681581
Energy: 0.8742980510541746
Energy: 0.9056543800197003
Energy: 0.9063920932092184
Energy: 0.897568169942953
Energy: 0.9075563498172233
Energy: 0.8616174892887619
Energy: 0.8999565343147569
Energy: 0.9180085991635367
Energy: 0.9184727494203921
Energy: 0.9221489497827162
Energy: 0.9180167431680133
Energy: 0.9195640137101301
Energy: 1.015405793760148
Energy: 0.9178073066451068
Energy: 0.9056263840319525
Energy: 0.9216736286219437
Energy: 0.9607702526976613
Energy: 0.9049972879974169
Energy: 0.8394650420634157
Energy: 0.9205709145936073
Energy: 0.9221204326099065
Energy: 0.8687200616716225
Energy: 0.9214257103283041
Energy: 0.9604923693273018
Energy: 0.838827165319669
Energy: 0.9209749223110145
Energy: 0.9606958969738721
Energy: 0.960811845778668
Energy: 0.921911175700661
Energy: 0.9535275908994979
Energy: 1.01306274261755
Energy: 0.8855190863396696
Energy: 0.8605857176395968
Energy: 0.920861706819308
Energy: 0.8984616602286243
Energy: 0.8830143523720257
Energy: 0.8961293124499958
Energy: 0.8698095070093811
Energy: 0.8695954068081898
Energy: 0.9207434826807548
Energy: 0.8698401187128931
Energy: 0.8803787665466777
Energy: 0.8928271763430093
Energy: 0.8440762728537257
Energy: 0.8442479123901341
Energy: 0.8943655377617152
Energy: 0.8373816387662206
Energy: 0.8439613005609531
Energy: 0.872935316357606
Energy: 0.8746533491391104
Energy: 0.8747908143923798
Energy: 0.8748778113952984
Energy: 0.8613421136492465
Energy: 0.8742017699847014
Energy: 0.8748609298578043
Energy: 0.847381572649969
Energy: 0.8756035440500026
Energy: 0.8583358333743257
Energy: 0.8725032368969367
Energy: 0.8743731320631358
Energy: 0.8752111167482634
Energy: 0.8957234983964825
Energy: 0.921046951572407
Energy: 0.837802326064415
Energy: 0.8942520931822574
Energy: 0.9211524492081912
Energy: 0.8766570729748383
Energy: 0.9208090010999255
Energy: 0.9206613411009598
Energy: 0.9063621591727813
Energy: 0.9212533623615693
Energy: 0.9208570911812086
Energy: 0.9008163477670141
Energy: 0.8870460446192292
Energy: 0.8599065766910645
Energy: 0.9214131931988461
Energy: 0.8843311618327562
Energy: 0.860562511161838
Energy: 0.977227188405366
Energy: 0.916974410791431
Energy: 0.9167146428429448
Energy: 0.9403499579338624
Energy: 0.9170446173720225
Energy: 0.9303582320583538
Energy: 1.0134310323365567
Energy: 0.9084107760963683
Energy: 0.8855449359438038
Energy: 0.920892470105211
Energy: 0.9218013405329278
Energy: 0.8848232275315142
Energy: 0.8385381325949682
Energy: 0.9206981781171109
Energy: 0.9534303631364038
Energy: 0.9607834133316862
Energy: 0.9207466948308661
Energy: 0.9537551210539089

minimum gb energy = 0.8373816387662206 eV
minimum distance =  2.30830624022427 Angstroms
sigma value = 17


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

Energy: 0.9583131697345294
Energy: 0.9047853690786059
Energy: 0.941583942403034
Energy: 0.8631580753771132
Energy: 0.8638279762557775
Energy: 0.7993741411346906
Energy: 0.9126978833348369
Energy: 0.8673653236583982
Energy: 0.8493359037669128
Energy: 0.8549722832054073
Energy: 0.8889331904633894
Energy: 0.81342127249229
Energy: 1.01632501509198
Energy: 0.769605053730906
Energy: 0.770109154292316
Energy: 0.8543522897497302
Energy: 0.7693048409346696
Energy: 0.7715988045275735
Energy: 0.8529477796836743
Energy: 0.7692525598205923
Energy: 0.7767064511777212
Energy: 0.8586066825968359
Energy: 0.786388354114547
Energy: 0.858960942256096
Energy: 0.8546651570054665
Energy: 0.7767254860895776
Energy: 0.7884519073805593
Energy: 0.854263014722594
Energy: 0.7767265776978948
Energy: 0.7869769843701533
Energy: 0.7959670004828433
Energy: 0.771649801950086
Energy: 0.7818475392456081
Energy: 0.7588244425983695
Energy: 0.7630220329708349
Energy: 0.7580569818637463
Energy: 0.8148423940122294
Energy: 0.7631634456269112
Energy: 0.7629667924469712
Energy: 0.8315240096478407
Energy: 0.7629716693151282
Energy: 0.7671243684024811
Energy: 0.7632529389778093
Energy: 0.7622729182702032
Energy: 0.7699743572046917
Energy: 0.7623800129872075
Energy: 0.762622169777532
Energy: 0.7697532597233464
Energy: 0.7648803143315492
Energy: 0.7638886514145646
Energy: 0.7629898190931205
Energy: 0.762815473873154
Energy: 0.7615557883992667
Energy: 0.7669062408974864
Energy: 0.7628540356906388
Energy: 0.7675947391862356
Energy: 0.7675766514199931
Energy: 0.7628489433204093
Energy: 0.7675155041402578
Energy: 0.7678467388165171
Energy: 0.8623075550880449
Energy: 0.7828476154182185
Energy: 0.783134508572361
Energy: 0.7771665013547574
Energy: 0.8540978296811905
Energy: 0.7887608611835034
Energy: 0.8949936048971229
Energy: 0.8544490562358558
Energy: 0.8545558835871674
Energy: 0.8311736644787223
Energy: 0.8547295452636929
Energy: 0.8615677924969571
Energy: 0.8514379604000023
Energy: 0.8543334429464599
Energy: 0.8539058898433984
Energy: 0.7697818870044193
Energy: 0.8544766350719739
Energy: 0.8533765705809746
Energy: 0.9374402265769932
Energy: 0.8548251964537119
Energy: 0.8545829385591487
Energy: 0.8501381571293116
Energy: 0.8555042301305281
Energy: 0.7883889175819762
Energy: 0.9406398215560624
Energy: 0.845155963809703
Energy: 0.844992084518329
Energy: 0.8602729294442076
Energy: 0.8498496645872596
Energy: 0.8439568861197015
Energy: 0.9856198919951957
Energy: 0.8553684898701107
Energy: 0.8069633534757312
Energy: 0.8723237771868011
Energy: 0.8538909129030443
Energy: 0.8546751308117329
Energy: 0.9075534179781406
Energy: 0.8492265418284121
Energy: 0.9208904574364624
Energy: 0.7805015564990359
Energy: 0.8546545026425283
Energy: 0.9326570263582074

minimum gb energy = 0.7580569818637463 eV
minimum distance =  2.28031639343484 Angstroms
sigma value = 17


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

Energy: 1.2896120899301344
Energy: 0.8309355081431534
Energy: 0.7559002738430914
Energy: 0.7569414013140796
Energy: 0.8258401774286395
Energy: 0.7557790642226129
Energy: 0.9235865110891907
Energy: 0.8194481835312696
Energy: 0.8017276476431335
Energy: 0.8196335687977438
Energy: 0.8162492514782698
Energy: 0.7419623291217071
Energy: 0.9274153607990345
Energy: 0.6932812235810856
Energy: 0.7330723337287223
Energy: 0.8031374360950664
Energy: 0.6934526501262658
Energy: 0.7337925672078066
Energy: 0.8137017353581154
Energy: 0.7114264773345984
Energy: 0.7299731577632729
Energy: 0.8148044974877928
Energy: 0.7380702877949383
Energy: 0.7487529650124403
Energy: 0.8217099716720043
Energy: 0.7373360116986718
Energy: 0.7394419107724133
Energy: 0.8115407876215747
Energy: 0.7368105508230531
Energy: 0.7383142302459991
Energy: 0.8210658018730951
Energy: 0.7174719597249709
Energy: 0.6928712141129241
Energy: 0.6937013812434879
Energy: 0.720723627741857
Energy: 0.6931575594705639
Energy: 0.8408569425651269
Energy: 0.7189232624962064
Energy: 0.7189004485261135
Energy: 0.7020216093704205
Energy: 0.721764846391543
Energy: 0.7012508328416189
Energy: 0.8453248499020601
Energy: 0.6770727227989005
Energy: 0.707282328578866
Energy: 0.7090322937105433
Energy: 0.6766138274197172
Energy: 0.7091773027154641
Energy: 0.679496960358549
Energy: 0.6893454880671923
Energy: 0.6872816427904264
Energy: 0.6806517320372222
Energy: 0.817258686321089
Energy: 0.6787397008791232
Energy: 0.678778956910882
Energy: 0.6814598463232254
Energy: 0.6812591446073354
Energy: 0.6788319715302034
Energy: 0.6820240788215294
Energy: 0.6812376380092516
Energy: 0.8154731181668007
Energy: 0.6877409145703931
Energy: 0.6815670672997626
Energy: 0.7020525485450725
Energy: 0.6786979435735864
Energy: 0.6812834598572074
Energy: 0.8191018913953468
Energy: 0.6787690734334464
Energy: 0.6784214694541351
Energy: 0.7601140436460893
Energy: 0.6829961958571418
Energy: 0.6887758880243011
Energy: 0.8151013212255951
Energy: 0.6876976774057902
Energy: 0.6870949034958506
Energy: 0.6855928021749675
Energy: 0.6880203147799175
Energy: 0.7101045738123362
Energy: 0.7212718810413914
Energy: 0.7007249706632525
Energy: 0.7009580447348359
Energy: 0.7213790945476236
Energy: 0.7017646757577279
Energy: 0.7189190582349261
Energy: 0.7191779348078079
Energy: 0.7072707378359886
Energy: 0.6855143593937922
Energy: 0.7191844073269587
Energy: 0.7090847565026929
Energy: 0.7167124317997733
Energy: 0.8755438879698559
Energy: 0.8216883426839983
Energy: 0.7383048919006664
Energy: 0.7395382868457651
Energy: 0.8153763212545028
Energy: 0.7367099015172659
Energy: 0.8412325730255057
Energy: 0.8106594354611089
Energy: 0.8109667306515741
Energy: 0.7750004153310925
Energy: 0.810261203168748
Energy: 0.7327295216829283
Energy: 0.841162479925792
Energy: 0.8027499172855178
Energy: 0.7902154731648069
Energy: 0.7743590959177066
Energy: 0.8193480367056113
Energy: 0.7312250490710419
Energy: 0.883250418279191
Energy: 0.8195033805982987
Energy: 0.7710517319885501
Energy: 0.815227522068265
Energy: 0.7381679501380846
Energy: 0.7387048098559841
Energy: 0.944380648599533
Energy: 0.725110414800871
Energy: 0.7171531382810654
Energy: 0.8208543115471343
Energy: 0.7249977537396851
Energy: 0.8030362575484067
Energy: 0.9237975500970538
Energy: 0.8142080843797213
Energy: 0.8117100868562493
Energy: 0.8171661976982433
Energy: 0.8388895274048116
Energy: 0.8209407372114501
Energy: 0.8599570380486165
Energy: 0.818796449438113
Energy: 0.8678310641181295
Energy: 0.7065758038493358
Energy: 0.8189522434047025
Energy: 0.741140661392513
Energy: 0.8603707167776727
Energy: 0.8195324757780469
Energy: 0.7904228823908421
Energy: 0.7152307931437163
Energy: 0.8173374728244281
Energy: 0.8677008671407503
Energy: 0.923317845977702
Energy: 0.7546884746467397
Energy: 0.7960279561833594
Energy: 0.8114430682784592
Energy: 0.8038943449074382
Energy: 0.8161095415107931
Energy: 0.8097051911328836
Energy: 0.6942389183719917
Energy: 0.7335390866788135
Energy: 0.8100715304494122
Energy: 0.6937979806354297
Energy: 0.7342754770575517
Energy: 0.814826684262053
Energy: 0.7370681002233583
Energy: 0.7396522733090312
Energy: 0.7396130155133482
Energy: 0.7361761646538335
Energy: 0.737122361025211
Energy: 0.8209697092087601
Energy: 0.7181820299836167
Energy: 0.7177351638941741
Energy: 0.693483879059109
Energy: 0.718075515230868
Energy: 0.6933683929354714
Energy: 0.8247498776226251
Energy: 0.7192390455465291
Energy: 0.7195612247061854
Energy: 0.8249383830330835
Energy: 0.7210898298374409
Energy: 0.719246469513423
Energy: 0.8679223737202596
Energy: 0.6929093943113277
Energy: 0.6920062537673038
Energy: 0.70756816947073
Energy: 0.718891045490556
Energy: 0.6941225605514824
Energy: 0.6785678930802177
Energy: 0.6767725655750537
Energy: 0.6851450603497166
Energy: 0.6786185469135078
Energy: 0.6768359589735113
Energy: 0.6905029857261336
Energy: 0.6831318585571575
Energy: 0.6838452111861917
Energy: 0.6832310503052431
Energy: 0.6839227864624411
Energy: 0.6812433506572932
Energy: 0.6873449797497017
Energy: 0.8163898604896626
Energy: 0.6846891867021543
Energy: 0.6841124862321816
Energy: 0.7026216232848219
Energy: 0.6814184418723952
Energy: 0.7233602145190607
Energy: 0.8158671496368556
Energy: 0.6837333364777576
Energy: 0.6788477317986855
Energy: 0.8172131521634868
Energy: 0.6798336701828197
Energy: 0.6788096005598915
Energy: 0.8163742346705345
Energy: 0.6856955217313283
Energy: 0.6855177940432611
Energy: 0.7148378467473749
Energy: 0.6854861731870807
Energy: 0.6853471437952505
Energy: 0.7253246806221423
Energy: 0.7016376224529081
Energy: 0.7014590213122052
Energy: 0.7232897318796867
Energy: 0.7024013766736121
Energy: 0.702789163359544
Energy: 0.7189960074646088
Energy: 0.6852849569935129
Energy: 0.7261671901978779
Energy: 0.7191742134721443
Energy: 0.6855244891417659
Energy: 0.7249123718653657
Energy: 0.8832972360115384
Energy: 0.7035627206376562
Energy: 0.7035383230239806
Energy: 0.7182759798658089
Energy: 0.7334016690227542
Energy: 0.7292063743151288
Energy: 0.8440563515664212
Energy: 0.8110088346824467
Energy: 0.8109224053416306
Energy: 0.740701054842283
Energy: 0.8112178314019185
Energy: 0.7392895944163862
Energy: 0.8414594212208083
Energy: 0.8050347279370085
Energy: 0.716259450328294
Energy: 0.7158952770691912
Energy: 0.8055947523327442
Energy: 0.7154705898533656
Energy: 0.8875988188581265
Energy: 0.8112086293656794
Energy: 0.8112509640712439
Energy: 0.814158434766604
Energy: 0.8146726900283644
Energy: 0.7699264170629677
Energy: 0.886083764046152
Energy: 0.7170419335154044
Energy: 0.7998642825117517
Energy: 0.8202713459871058
Energy: 0.7156756373732109
Energy: 0.8074886993687045
Energy: 0.9236733589021863
Energy: 0.7716903414792737
Energy: 0.7887152981695115
Energy: 0.8186779061568287
Energy: 0.7382430305297543
Energy: 0.7954258410349012
Energy: 0.8606076371320573
Energy: 0.8190440570133597
Energy: 0.7905149992516189
Energy: 0.7148139564790655
Energy: 0.8167053538290925
Energy: 0.8674687496711438

minimum gb energy = 0.6766138274197172 eV
minimum distance =  2.29379364858291 Angstroms
sigma value = 57


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

Energy: 0.8082115674392214
Energy: 0.9278244294305932
Energy: 0.6938932388119574
Energy: 0.6700805710542966
Energy: 0.9271132953720789
Energy: 0.6948053954965331
Energy: 0.860748697014126
Energy: 0.7688778298356551
Energy: 0.6843347822943324
Energy: 0.7726118374951997
Energy: 0.7752664303374212
Energy: 0.6650929020528589
Energy: 0.8669988721631897
Energy: 0.6498350815421644
Energy: 0.6607159544921891
Energy: 0.6773542149736201
Energy: 0.6499156711068121
Energy: 0.6698060517715269
Energy: 0.7663717616687784
Energy: 0.6495029291294614
Energy: 0.6935235305713935
Energy: 0.7673962536511711
Energy: 0.6573578257645325
Energy: 0.7130663263233497
Energy: 0.7183523724607169
Energy: 0.685379484479929
Energy: 0.688247279375042
Energy: 0.7487844438738862
Energy: 0.6842343491315187
Energy: 0.6829680987626153
Energy: 0.7517625472837806
Energy: 0.6672176112693277
Energy: 0.6494890528984338
Energy: 0.6252849390582197
Energy: 0.6863134576367054
Energy: 0.6494367452643814
Energy: 0.7927257551013763
Energy: 0.6889588430239607
Energy: 0.6833587243016179
Energy: 0.6568518928345275
Energy: 0.686025083939383
Energy: 0.6584920444345878
Energy: 0.7930696666074096
Energy: 0.6245562537313909
Energy: 0.6343420842340229
Energy: 0.6597498418864246
Energy: 0.6238451745707236
Energy: 0.6623434733380814
Energy: 0.6382685674527956
Energy: 0.6337148755097773
Energy: 0.6420662812751945
Energy: 0.639259325485661
Energy: 0.7584497768397359
Energy: 0.6360492139700592
Energy: 0.6359649076378969
Energy: 0.6373464687659993
Energy: 0.6376879613422974
Energy: 0.6366187651149618
Energy: 0.6472375791493478
Energy: 0.638167451276586
Energy: 0.7461155159862503
Energy: 0.6138543138080601
Energy: 0.6290759697258635
Energy: 0.6224477378059693
Energy: 0.6142465431893948
Energy: 0.6298555800665426
Energy: 0.7525489859904212
Energy: 0.6212837832691672
Energy: 0.6140613440010845
Energy: 0.690008717580217
Energy: 0.6181185651523406
Energy: 0.6199400940172277
Energy: 0.7552387955294029
Energy: 0.6493117656951781
Energy: 0.6470025884460102
Energy: 0.6241524696532036
Energy: 0.6528132346309296
Energy: 0.646700582214815
Energy: 0.614939682564344
Energy: 0.620106777740404
Energy: 0.6248481847838865
Energy: 0.6163179376656397
Energy: 0.6888748024050853
Energy: 0.6138323020232622
Energy: 0.6156402682830877
Energy: 0.6201293393758256
Energy: 0.6200064127116531
Energy: 0.6138618949578136
Energy: 0.6205308488339318
Energy: 0.6201593015733593
Energy: 0.7683958059809488
Energy: 0.6363796007455521
Energy: 0.6356668055440615
Energy: 0.6439433051721247
Energy: 0.6362104931963861
Energy: 0.6340419090839923
Energy: 0.7563705485514987
Energy: 0.6357664207532737
Energy: 0.6359021912207984
Energy: 0.6273880782644191
Energy: 0.6421119774921193
Energy: 0.644365259006153
Energy: 0.7720439710262813
Energy: 0.6569953288027508
Energy: 0.6586728713529851
Energy: 0.7125276496845373
Energy: 0.6566764281353636
Energy: 0.6611417365687444
Energy: 0.6830425623039073
Energy: 0.6594459065765877
Energy: 0.6830985229811182
Energy: 0.6847290330415126
Energy: 0.659402499390816
Energy: 0.68308005427533
Energy: 0.823069018715844
Energy: 0.657527918977699
Energy: 0.6575117728564941
Energy: 0.6658225010764642
Energy: 0.6582900473857354
Energy: 0.6873296442035516
Energy: 0.8246616709216928
Energy: 0.7800527393617418
Energy: 0.6958369671558796
Energy: 0.694915704772608
Energy: 0.7710247378245273
Energy: 0.69398568234264
Energy: 0.7629565567875395
Energy: 0.7640950808071378
Energy: 0.6830643638209544
Energy: 0.6385024634761889
Energy: 0.7645640657494593
Energy: 0.6664888195864236
Energy: 0.7686216075658366
Energy: 0.7670768785133698
Energy: 0.7670970013044623
Energy: 0.7030522339007533
Energy: 0.7675493730909285
Energy: 0.7439942258816618
Energy: 0.8270841921361535
Energy: 0.6945821930039767
Energy: 0.6809937775239577
Energy: 0.7666816133451549
Energy: 0.7055350852094256
Energy: 0.688631528199108
Energy: 0.8763328853187825
Energy: 0.6651123410289821
Energy: 0.6653629416166073
Energy: 0.7724252617930278
Energy: 0.6639881550337812
Energy: 0.7427998458808474
Energy: 0.863029473359578
Energy: 0.7721604279949547
Energy: 0.7763606639817654
Energy: 0.768040677335028
Energy: 0.7697119233158496
Energy: 0.7738458809059944
Energy: 0.7729901335028568
Energy: 0.7493444948955246
Energy: 0.7140487954693908
Energy: 0.651332890889027
Energy: 0.7724136124781371
Energy: 0.6696514027543092

minimum gb energy = 0.6138323020232622 eV
minimum distance =  2.37186895357411 Angstroms
sigma value = 43


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

Energy: 0.704482896693298
Energy: 0.7004225947583947
Energy: 0.5990001115642503
Energy: 0.5794637847335836
Energy: 0.6975831793308467
Energy: 0.5843649373463108
Energy: 0.7229773296254671
Energy: 0.6523775355183817
Energy: 0.6526112988359587
Energy: 0.6525684045118991
Energy: 0.6546332833441828
Energy: 0.5807809194540129
Energy: 0.7308837989923146
Energy: 0.5291325921535436
Energy: 0.5464864550234925
Energy: 0.5822861122588506
Energy: 0.5288895903655838
Energy: 0.547581289839849
Energy: 0.6528690413842703
Energy: 0.5463940260500351
Energy: 0.5474573318472922
Energy: 0.5800346228809311
Energy: 0.6626047734362436
Energy: 0.6149110837065259
Energy: 0.641910924735575
Energy: 0.5804041301979458
Energy: 0.5776538981175948
Energy: 0.5814667912749555
Energy: 0.5797475411588606
Energy: 0.5774749285801348
Energy: 0.640849599183553
Energy: 0.5921795898258424
Energy: 0.5395320449183352
Energy: 0.5144912273806124
Energy: 0.5929716922912619
Energy: 0.5250152598734541
Energy: 0.6809059771890308
Energy: 0.5918731253724963
Energy: 0.5918629285289277
Energy: 0.5385034690213202
Energy: 0.5943932610346468
Energy: 0.5811451063403732
Energy: 0.6818891699927137
Energy: 0.5123568338103449
Energy: 0.5209895095902317
Energy: 0.548540361954097
Energy: 0.5120620784376262
Energy: 0.5206419568504899
Energy: 0.5573580154777498
Energy: 0.5206016738799355
Energy: 0.5533434126011014
Energy: 0.5551059615183735
Energy: 0.6493198414193309
Energy: 0.5528948731640041
Energy: 0.5528063837250582
Energy: 0.5249467175259898
Energy: 0.5252617714671863
Energy: 0.5530271175201329
Energy: 0.5243705505301672
Energy: 0.5328612154787997
Energy: 0.6356386403754207
Energy: 0.5273712896356862
Energy: 0.5133722433773278
Energy: 0.5053627965906987
Energy: 0.5281089694292869
Energy: 0.508979170472647
Energy: 0.646045109506631
Energy: 0.5275298149426427
Energy: 0.5277310978076547
Energy: 0.5199339940354705
Energy: 0.5276638622737494
Energy: 0.520383289321422
Energy: 0.6477499262106091
Energy: 0.5236995809209564
Energy: 0.5289967360441726
Energy: 0.5269752978412479
Energy: 0.5039502873097164
Energy: 0.5309518034565073
Energy: 0.512930535888912
Energy: 0.5066460764785621
Energy: 0.5125200863130661
Energy: 0.5142629806970674
Energy: 0.6389520549008045
Energy: 0.5126424529783379
Energy: 0.5125923426262957
Energy: 0.5045402227608754
Energy: 0.5089645840069965
Energy: 0.5130031691327364
Energy: 0.5219052932023015
Energy: 0.5094503179703868
Energy: 0.6346784614801045
Energy: 0.5054456438472071
Energy: 0.5126887873829243
Energy: 0.5034350117167
Energy: 0.5055424870875165
Energy: 0.502971081003733
Energy: 0.6363117216843648
Energy: 0.505495800597374
Energy: 0.5054004565320536
Energy: 0.5047026805514065
Energy: 0.5055886508945405
Energy: 0.5064367876768084
Energy: 0.6390671520615674
Energy: 0.5197498814784409
Energy: 0.5195375004251704
Energy: 0.6366393878026184
Energy: 0.5177895105808638
Energy: 0.5193831690319839
Energy: 0.5053006951425391
Energy: 0.6361852098580969
Energy: 0.5054946312246975
Energy: 0.5066564612037043
Energy: 0.6383579204856564
Energy: 0.5056853795746015
Energy: 0.6399237493642101
Energy: 0.5203869242790923
Energy: 0.5232890788372513
Energy: 0.5795158176042712
Energy: 0.5206223996749737
Energy: 0.5228675873729305
Energy: 0.6414522029990656
Energy: 0.5129577529821582
Energy: 0.5125674181220288
Energy: 0.5101433734847332
Energy: 0.5128681196946138
Energy: 0.5116271443063176
Energy: 0.6395782003296367
Energy: 0.5124433145146223
Energy: 0.5129856289759337
Energy: 0.5056511910599731
Energy: 0.512958006270494
Energy: 0.5052713199039084
Energy: 0.5283368841160158
Energy: 0.5293173841415993
Energy: 0.5297452263738394
Energy: 0.5810001679930061
Energy: 0.5300998717238408
Energy: 0.5107993920381088
Energy: 0.5292700864469452
Energy: 0.5201205020089575
Energy: 0.5276750214152397
Energy: 0.5306590389726235
Energy: 0.6468446966430624
Energy: 0.5276799283341178
Energy: 0.6614988197400231
Energy: 0.5192586524993276
Energy: 0.5275945951509989
Energy: 0.544283422719433
Energy: 0.5079862030839118
Energy: 0.5275606537233793
Energy: 0.6595785960753233
Energy: 0.5529439891511841
Energy: 0.553006769271258
Energy: 0.5329077034107843
Energy: 0.5539378744644385
Energy: 0.5333291656531046
Energy: 0.6387321397087905
Energy: 0.5534594302231666
Energy: 0.5271085824065139
Energy: 0.5098746836268171
Energy: 0.554005503235216
Energy: 0.5172438216576205
Energy: 0.5940755755637734
Energy: 0.532104528359242
Energy: 0.5324112176259459
Energy: 0.592647639796259
Energy: 0.5318345521196626
Energy: 0.5363948248933955
Energy: 0.5956944788489555
Energy: 0.5331896276851641
Energy: 0.5923389421423786
Energy: 0.5950146870053125
Energy: 0.6582211953460027
Energy: 0.5925796240781126
Energy: 0.7064229897740574
Energy: 0.5204575149541933
Energy: 0.5336880947769432
Energy: 0.5783877789806934
Energy: 0.5204419640526236
Energy: 0.5338803570356172
Energy: 0.6970720368225508
Energy: 0.6524151941889577
Energy: 0.5778310511845289
Energy: 0.579374589973819
Energy: 0.6535528594911661
Energy: 0.5821840678261574
Energy: 0.6472742563372573
Energy: 0.6523603270572031
Energy: 0.5555478726199407
Energy: 0.5262026029820602
Energy: 0.6537118340751996
Energy: 0.538560033706321
Energy: 0.6513317709960954
Energy: 0.6529614978805526
Energy: 0.6538020143158068
Energy: 0.57909093662294
Energy: 0.6534865993707807
Energy: 0.6160037073229292
Energy: 0.6994202902547993
Energy: 0.5613520426072832
Energy: 0.5613408800241203
Energy: 0.6520076062741792
Energy: 0.6517954905056234
Energy: 0.6514900651890647
Energy: 0.7239407253557616
Energy: 0.545593553479121
Energy: 0.5618430317477028
Energy: 0.5822739972756136
Energy: 0.5436234552269236
Energy: 0.584939093768907
Energy: 0.7031969192724382
Energy: 0.6524010744803286
Energy: 0.6531830664826845
Energy: 0.6524705181303441
Energy: 0.6548653140638657
Energy: 0.6567201121397578

minimum gb energy = 0.502971081003733 eV
minimum distance =  2.29847544052063 Angstroms
sigma value = 81


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

Energy: 0.034133649968225585
Energy: 0.035589070062189816
Energy: 0.03452291116466726
Energy: 0.03593693102853149
Energy: 0.034870013510922164
Energy: 0.03449950629688362
Energy: 0.06536131473933168
Energy: 0.0351538261506254
Energy: 0.03511020488809395
Energy: 0.06513816750042528
Energy: 0.03475621237161546
Energy: 0.03519710291893245
Energy: 0.06435407737274233
Energy: 0.034394128584152445
Energy: 0.03458660169954491
Energy: 0.06447981296997322
Energy: 0.034417331557009934
Energy: 0.06494232675365755
Energy: 0.03672351838555678
Energy: 0.03458766555377608
Energy: 0.03470585708244198
Energy: 0.034835613157340364
Energy: 0.03446552053827503
Energy: 0.06556682539607842
Energy: 0.06502026473691007
Energy: 0.06453030278989119
Energy: 0.06445807542920813
Energy: 0.06601989983468984
Energy: 0.06457440410825649
Energy: 0.06465710738030793
Energy: 0.03498284077895523
Energy: 0.035001504494455785
Energy: 0.03454377129222609
Energy: 0.03606293445228957
Energy: 0.035005185612226423
Energy: 0.03452082592999
Energy: 0.06460143508244569
Energy: 0.03496247387577019
Energy: 0.03518820114059571
Energy: 0.064841030578427
Energy: 0.03521012752907848
Energy: 0.035302133111414696
Energy: 0.06458156094868663
Energy: 0.03449866241572836
Energy: 0.03452622784311601
Energy: 0.06450907576855762
Energy: 0.03437188678474894
Energy: 0.06534682594368321
Energy: 0.03607972557123684
Energy: 0.03460609449430281
Energy: 0.0665918299470552
Energy: 0.036390606790807904
Energy: 0.034498239839875496
Energy: 0.06697272254603773
Energy: 0.03457403446612307
Energy: 0.06447875907504312
Energy: 0.06442895326570386
Energy: 0.03482139158121967
Energy: 0.06437622022520377
Energy: 0.06441008223068753

minimum gb energy = 0.034133649968225585 eV
minimum distance =  2.53375281317438 Angstroms
sigma value = 3


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

Energy: 0.6080610269776332
Energy: 0.7242014773112412
Energy: 0.6039196212098665
Energy: 0.5980060106936647
Energy: 0.7236071286585406
Energy: 0.605538069671198
Energy: 0.6933560570368726
Energy: 0.644719625294095
Energy: 0.6054964354402043
Energy: 0.6106522414654285
Energy: 0.6563463032477089
Energy: 0.6040846812551716
Energy: 0.6605209731510936
Energy: 0.5842309926567169
Energy: 0.5889023011534708
Energy: 0.6508334553985448
Energy: 0.634038076714752
Energy: 0.6070474635652803
Energy: 0.6494287066579019
Energy: 0.5887565243682045
Energy: 0.59338158022926
Energy: 0.6474292164163475
Energy: 0.5801815167198661
Energy: 0.5991247547757087
Energy: 0.5938677797669631
Energy: 0.6380593068793539
Energy: 0.6415469270234112
Energy: 0.5938778811182843
Energy: 0.655558133707017
Energy: 0.6418430793972735
Energy: 0.574766698831863
Energy: 0.612568809640885
Energy: 0.6011373746649065
Energy: 0.5662989859859471
Energy: 0.6172233228031421
Energy: 0.5660908706555301
Energy: 0.6122492404266006
Energy: 0.6161052134793835
Energy: 0.6008744004034346
Energy: 0.6124694770774018
Energy: 0.6170533680947651
Energy: 0.6062791359167705
Energy: 0.6462332432342833
Energy: 0.5752446536789956
Energy: 0.575489605115071
Energy: 0.646286039090551
Energy: 0.5463018005334835
Energy: 0.5644192358944202
Energy: 0.6060857093062716
Energy: 0.5755482289465488
Energy: 0.6096615120703951
Energy: 0.6102277142942395
Energy: 0.5965077273767132
Energy: 0.6093529012494449
Energy: 0.6020109128049567
Energy: 0.6016916573904584
Energy: 0.5658048350227368
Energy: 0.6020725301387891
Energy: 0.6019586209153446
Energy: 0.5712314472792611
Energy: 0.5676435776006914
Energy: 0.5850830936246898
Energy: 0.5827726490373676
Energy: 0.5532140358721916
Energy: 0.5742831923822503
Energy: 0.5530381500087741
Energy: 0.5364458178277886
Energy: 0.5874868612212418
Energy: 0.5852744858521336
Energy: 0.5372170967461699
Energy: 0.5880104435678866
Energy: 0.5339482028367976
Energy: 0.5550244754683742
Energy: 0.5411511304815614
Energy: 0.5618299285187323
Energy: 0.5550882431517575
Energy: 0.5409131376575014
Energy: 0.5485934355722756
Energy: 0.5604303358934667
Energy: 0.5739144828893088
Energy: 0.5601662960949958
Energy: 0.5614574006583167
Energy: 0.6209337515909479
Energy: 0.5639055088879772
Energy: 0.5542973235394321
Energy: 0.5342637421448728
Energy: 0.5488587977355721
Energy: 0.5542285808606023
Energy: 0.5528957200264539
Energy: 0.5329504603463164
Energy: 0.5575646367483655
Energy: 0.5466397528308349
Energy: 0.5470007899099637
Energy: 0.544125751625794
Energy: 0.5526320880001827
Energy: 0.5471569423869281
Energy: 0.5253988688388526
Energy: 0.5501016289697377
Energy: 0.5489580514555158
Energy: 0.5256501791473775
Energy: 0.548979259062915
Energy: 0.52484440704978
Energy: 0.5253791092891223
Energy: 0.5414738614002947
Energy: 0.541874291454405
Energy: 0.5254278578136121
Energy: 0.5387709165889313
Energy: 0.542319859019707
Energy: 0.5515962416915814
Energy: 0.5506561675820619
Energy: 0.5417012256514403
Energy: 0.5389033482214377
Energy: 0.5522108291970861
Energy: 0.5416506043936469
Energy: 0.5506448011120423
Energy: 0.5284954240929178
Energy: 0.5253570009370071
Energy: 0.5518198720008693
Energy: 0.5286810254961619
Energy: 0.5254061032544333
Energy: 0.550217757330515
Energy: 0.5465153347057318
Energy: 0.5471254024494919
Energy: 0.5498785929990788
Energy: 0.5540128486223751
Energy: 0.5465212709736468
Energy: 0.5511320347705112
Energy: 0.5464199801635812
Energy: 0.549881854543311
Energy: 0.5490050257828368
Energy: 0.5597212923070771
Energy: 0.5339973955425968
Energy: 0.5176566020830233
Energy: 0.560638603232536
Energy: 0.5593222543921184
Energy: 0.5176485254074583
Energy: 0.5601043555882316
Energy: 0.5596157772430825
Energy: 0.5586874090899302
Energy: 0.5865775127116002
Energy: 0.5635668083997659
Energy: 0.5483653798093515
Energy: 0.5868235142765525
Energy: 0.5477526938397528
Energy: 0.5790140101287601
Energy: 0.535731670128488
Energy: 0.5351686808731496
Energy: 0.5800469616554369
Energy: 0.53717146123539
Energy: 0.5348777206366895
Energy: 0.5753926963901648
Energy: 0.5644121487834963
Energy: 0.5643492163117015
Energy: 0.575776873740433
Energy: 0.5398365762881243
Energy: 0.5822857397549391
Energy: 0.6233939253098428
Energy: 0.5643879217911344
Energy: 0.5642011771407685
Energy: 0.624907823639545
Energy: 0.5817633773774533
Energy: 0.5660374835042861
Energy: 0.543857137103359
Energy: 0.6092991376272696
Energy: 0.6092052177746765
Energy: 0.5437793901695083
Energy: 0.6104363063308124
Energy: 0.6092797400717221
Energy: 0.5710956286005968
Energy: 0.6405330590640103
Energy: 0.5931005664639017
Energy: 0.5575297090737308
Energy: 0.6817791341800488
Energy: 0.5572235129817595
Energy: 0.605492233849701
Energy: 0.6041024986832737
Energy: 0.6043765905345352
Energy: 0.6007122525632388
Energy: 0.612248187926906
Energy: 0.611835407311701
Energy: 0.6345759345190048
Energy: 0.5817238968698198
Energy: 0.5815999753261976
Energy: 0.634700075907435
Energy: 0.550078157878534
Energy: 0.5828057403915894
Energy: 0.696576335895383
Energy: 0.5815494127591284
Energy: 0.6198134492358441
Energy: 0.6651037504308484
Energy: 0.5734975581947679
Energy: 0.6035782936132342
Energy: 0.5734014728298434
Energy: 0.6426650588474917
Energy: 0.6036950154441677
Energy: 0.5733825557963962
Energy: 0.6495783070527136
Energy: 0.6182654528125187

minimum gb energy = 0.5176485254074583 eV
minimum distance =  2.22981774805132 Angstroms
sigma value = 67


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

Energy: 0.7264239020492632
Energy: 0.7083118889900193
Energy: 0.7234378675275365
Energy: 0.7001805592464398
Energy: 0.7075588711519522
Energy: 0.7235544207351831
Energy: 0.7688849360855413
Energy: 0.7425011808404564
Energy: 0.7379006160723514
Energy: 0.7491448035530003
Energy: 0.7535037611341917
Energy: 0.7378914528719335
Energy: 0.7876512527298396
Energy: 0.6958700050311966
Energy: 0.7069257799888542
Energy: 0.7507796004509265
Energy: 0.6940352251521951
Energy: 0.7069868396419232
Energy: 0.7810924826102594
Energy: 0.7066506386482474
Energy: 0.7069830348765652
Energy: 0.7100582287048972
Energy: 0.6895716625054864
Energy: 0.736953674117909
Energy: 0.7045935755189019
Energy: 0.7440219834234207
Energy: 0.7385183419797541
Energy: 0.69536296742687
Energy: 0.7531709598734209
Energy: 0.7390937766452023
Energy: 0.6806126915601001
Energy: 0.7081381042467337
Energy: 0.6969539703961556
Energy: 0.7019950532320091
Energy: 0.7106757906898163
Energy: 0.7014368014565933
Energy: 0.7108755259887533
Energy: 0.6999340279342511
Energy: 0.7042530012351176
Energy: 0.6963244625571198
Energy: 0.6970950014554781
Energy: 0.6952647956348909
Energy: 0.7364873278462598
Energy: 0.6771910346005007
Energy: 0.6825112598262847
Energy: 0.7218521567530458
Energy: 0.6773391122062931
Energy: 0.7035799168397942
Energy: 0.6931344077649053
Energy: 0.702787851624458
Energy: 0.7020390315361409
Energy: 0.7033504000774846
Energy: 0.716617885582586
Energy: 0.7082538618581687
Energy: 0.696634624625837
Energy: 0.71009609629449
Energy: 0.6765361915479419
Energy: 0.6956979331116762
Energy: 0.7064342276741771
Energy: 0.6834786318297987
Energy: 0.6920201253838767
Energy: 0.6777870158612307
Energy: 0.6840303074704385
Energy: 0.6796000589709389
Energy: 0.6721827320237329
Energy: 0.6803776969060299
Energy: 0.6561989802079755
Energy: 0.6863299046603111
Energy: 0.6797027177106035
Energy: 0.6545724381440898
Energy: 0.6873917521217264
Energy: 0.6524607970716656
Energy: 0.6686632638586578
Energy: 0.6801506374238352
Energy: 0.6724356947281631
Energy: 0.6686197955786224
Energy: 0.6710907934441588
Energy: 0.6541735096894052
Energy: 0.6685238886212869
Energy: 0.6706350141162771
Energy: 0.6729289381366276
Energy: 0.6702350912620282
Energy: 0.67038269253797
Energy: 0.6693077171421856
Energy: 0.6689156799695289
Energy: 0.6716612305600226
Energy: 0.676253588686194
Energy: 0.6698992166599786
Energy: 0.6682276428204943
Energy: 0.6668234149123144
Energy: 0.6703876654323652
Energy: 0.6797628835466605
Energy: 0.6817868369772071
Energy: 0.6850993545217327
Energy: 0.7203854545977154
Energy: 0.6801563904414302
Energy: 0.7085752710415683
Energy: 0.6747873322731285
Energy: 0.6720668211131859
Energy: 0.7076612985275245
Energy: 0.6689825646890865
Energy: 0.6837547412872311
Energy: 0.660166626200221
Energy: 0.702494528804906
Energy: 0.7047762902438086
Energy: 0.6601157709380566
Energy: 0.7015907847868789
Energy: 0.6621452159794154
Energy: 0.669311923249118
Energy: 0.6906378639407689
Energy: 0.6874853669263089
Energy: 0.6881753776543501
Energy: 0.6900941932773557
Energy: 0.6877794244424021
Energy: 0.6974360343181769
Energy: 0.6992059818776336
Energy: 0.695304502372934
Energy: 0.6931644349229539
Energy: 0.7378780653107855
Energy: 0.7019318898320874
Energy: 0.7246143369749921
Energy: 0.7141519657514932
Energy: 0.7142949158388726
Energy: 0.692975090157652
Energy: 0.7044386631509644
Energy: 0.7143553791760383
Energy: 0.7961302854648759
Energy: 0.6839748731475945
Energy: 0.7143054263464476
Energy: 0.7513498384660781
Energy: 0.6840228398838681
Energy: 0.7142335820971241
Energy: 0.7345374714734083
Energy: 0.6986115563859975
Energy: 0.7029605782064685
Energy: 0.7257493751333394
Energy: 0.766616915528855
Energy: 0.6954601105600356

minimum gb energy = 0.6524607970716656 eV
minimum distance =  2.23420043922521 Angstroms
sigma value = 33


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

Energy: 1.2445006150484286
Energy: 0.8220319591178378
Energy: 0.869892052069333
Energy: 0.7790484119044839
Energy: 0.8219048211710278
Energy: 0.8025235001639618
Energy: 0.856018662440573
Energy: 0.8039033996982647
Energy: 0.8024214240824245
Energy: 0.8032957317905179
Energy: 0.8173002679488974
Energy: 0.8021599264215976
Energy: 0.90547358485063
Energy: 0.7979775461116855
Energy: 0.7975652187567556
Energy: 0.8551356326336405
Energy: 0.7834560594494688
Energy: 0.7975401201480999
Energy: 0.8673825441133595
Energy: 0.7974855195716328
Energy: 0.7972474983002849
Energy: 0.868676655606021
Energy: 0.8110242750024653
Energy: 0.7974086029166627
Energy: 0.8298828629563846
Energy: 0.8037902725841961
Energy: 0.8018253205784717
Energy: 0.8153161237572846
Energy: 0.8023246574663626
Energy: 0.8023243042313525
Energy: 0.776527162251759
Energy: 0.8028530802544976
Energy: 0.8025630197157114
Energy: 0.7597102049207615
Energy: 0.797308771453135
Energy: 0.7594893117536394
Energy: 0.792858362797393
Energy: 0.8013078772880564
Energy: 0.801778829304578
Energy: 0.7778259170455892
Energy: 0.8018684803139766
Energy: 0.7636104599115888
Energy: 0.827299707749929
Energy: 0.7630998345183967
Energy: 0.7631440434538757
Energy: 0.8274664570363751
Energy: 0.7628402131111358
Energy: 0.7782363820022791
Energy: 0.756169505358971
Energy: 0.7629056758510181
Energy: 0.7628115483424134
Energy: 0.7638929390286406
Energy: 0.7615572894216172
Energy: 0.764276905034918
Energy: 0.7553344712631732
Energy: 0.7646506029941671
Energy: 0.7597488394112636
Energy: 0.7564582693308025
Energy: 0.761267871538483
Energy: 0.7478630831900508
Energy: 0.7549502330068899
Energy: 0.8037783174707008
Energy: 0.7534172682646909
Energy: 0.752723162114612
Energy: 0.7976803510778662
Energy: 0.7532341987077618
Energy: 0.7595394785138665
Energy: 0.7528070680844382
Energy: 0.7523732992994915
Energy: 0.7590991784650258
Energy: 0.7491012263493233
Energy: 0.7610671973556745
Energy: 0.7603497089460792
Energy: 0.7634652634490976
Energy: 0.7645069094400397
Energy: 0.7602585798534397
Energy: 0.7644982118954026
Energy: 0.74978505066566
Energy: 0.7594421135268306
Energy: 0.763228626588629
Energy: 0.7628620445352186
Energy: 0.7490324084718001
Energy: 0.7571589763205357
Energy: 0.7493341062949155
Energy: 0.7603400954587705
Energy: 0.7789634678130583
Energy: 0.7622737952171595
Energy: 0.7616127102749071
Energy: 0.7774037127563832
Energy: 0.7633754764738397
Energy: 0.810640520081566
Energy: 0.7706980540474438
Energy: 0.7705526293545374
Energy: 0.8174229150429565
Energy: 0.7904355142050047
Energy: 0.8155982807973745
Energy: 0.9061941966635886
Energy: 0.770987419384747
Energy: 0.7709557478083874
Energy: 0.8552943287265888
Energy: 0.7708064965718179
Energy: 0.7709639610207663
Energy: 0.8543645161308921
Energy: 0.8055775107136798
Energy: 0.8032998167834545
Energy: 0.8043183004737374
Energy: 0.8194399678677767
Energy: 0.7859764262773175
Energy: 0.7868388575224631
Energy: 0.8552526329255702
Energy: 0.8255704271064889
Energy: 0.7698160414560037
Energy: 0.8550089955535414
Energy: 0.7691929277558193
Energy: 0.8000581638187554
Energy: 0.8035673196970959
Energy: 0.8027274104459119
Energy: 0.7706728268522286
Energy: 0.8171128785217137
Energy: 0.8028309159099956
Energy: 0.9072591512078623
Energy: 0.797615972624774
Energy: 0.7973959056778888
Energy: 0.8571447822938988
Energy: 0.7835499707333374
Energy: 0.7973954087731634
Energy: 0.8575067975346748
Energy: 0.7978336194915753
Energy: 0.797592073329313
Energy: 0.8575522461760019
Energy: 0.782797402828384
Energy: 0.7973890660109029
Energy: 0.8300941502482811
Energy: 0.804062597243345
Energy: 0.8016293229378763
Energy: 0.8159791043805285
Energy: 0.8164087856963304
Energy: 0.8030313755051744
Energy: 0.7787671666961888
Energy: 0.7973273066024861
Energy: 0.8028724216192056
Energy: 0.7598007279272082
Energy: 0.7986895570208318
Energy: 0.7598088656886328
Energy: 0.7926233222630106
Energy: 0.8015591547351057
Energy: 0.8017816917556415
Energy: 0.7778060841608357
Energy: 0.8013637926317271
Energy: 0.7811579734612961
Energy: 0.8291796840917658
Energy: 0.7631005501383024
Energy: 0.7629117593842418
Energy: 0.8297205454482414
Energy: 0.7628054209106712
Energy: 0.7783674423909495
Energy: 0.7552664666466506
Energy: 0.7627028616893547
Energy: 0.7630156594300248
Energy: 0.7652257117648066
Energy: 0.7964115879130169
Energy: 0.762751017697562
Energy: 0.7549201241874891
Energy: 0.7599404746109164
Energy: 0.7459606609970718
Energy: 0.7605533564664407
Energy: 0.7626262660166481
Energy: 0.7479164131132896
Energy: 0.755072650747537
Energy: 0.7956920466356596
Energy: 0.7530574126318518
Energy: 0.7526104587762769
Energy: 0.7968345665601784
Energy: 0.7531374724958904
Energy: 0.7594589190348474
Energy: 0.7527386093727136
Energy: 0.7523022376027033
Energy: 0.7594641088362197
Energy: 0.7492795864406293
Energy: 0.7610901055487181
Energy: 0.7612138009097865
Energy: 0.7627998116516711
Energy: 0.7535460960055061
Energy: 0.7602351226636966
Energy: 0.7630595588098111
Energy: 0.760869837612931
Energy: 0.7595243501881187
Energy: 0.7632865565561866
Energy: 0.7627378881343498
Energy: 0.7493661089128792
Energy: 0.762499057250488
Energy: 0.7488725767154182
Energy: 0.7629316393798191
Energy: 0.7791128880040258
Energy: 0.7628469290008342
Energy: 0.7595966942054571
Energy: 0.7775749452908545
Energy: 0.7634682942303049
Energy: 0.8101542582685923
Energy: 0.7740444167492823
Energy: 0.8155616401941795
Energy: 0.8160328986243979
Energy: 0.7444759866146453
Energy: 0.8156104858396932
Energy: 0.906236967782663
Energy: 0.771220874176115
Energy: 0.7711886018235791
Energy: 0.8034126224672801
Energy: 0.7485503813966304
Energy: 0.7710920178290809
Energy: 0.8531732489289966
Energy: 0.8037073980702589
Energy: 0.8029847444197192
Energy: 0.8185476728845572
Energy: 0.8200016186624869
Energy: 0.802682767123373
Energy: 0.7913835871072941
Energy: 0.8554656797341647
Energy: 0.8261074294745633
Energy: 0.7698117750884452
Energy: 0.8553609617851976
Energy: 0.768908873983836

minimum gb energy = 0.7444759866146453 eV
minimum distance =  2.29415146895605 Angstroms
sigma value = 41


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

Energy: 1.1363077086119402
Energy: 0.9377136990113816
Energy: 0.9510981857004274
Energy: 0.8839640676114662
Energy: 0.93761747800573
Energy: 0.944403990118306
Energy: 0.9838050388785581
Energy: 0.8860600684436626
Energy: 0.8880186837569183
Energy: 0.8915495267764376
Energy: 0.934943317205995
Energy: 0.892831913753274
Energy: 1.038370628030553
Energy: 0.8894991013843305
Energy: 0.889262628295189
Energy: 0.9320897723728847
Energy: 0.8900020916097343
Energy: 0.8890743617122248
Energy: 0.9294142744318574
Energy: 0.8896623369460921
Energy: 0.888881254828919
Energy: 0.9296556315251829
Energy: 0.8816944012170248
Energy: 0.867004896575087
Energy: 0.9008327311721421
Energy: 0.8861159894007452
Energy: 0.8923300022349555
Energy: 0.8749110068922981
Energy: 0.9351800225736974
Energy: 0.8929051357281688
Energy: 0.8827655942863427
Energy: 0.8864969845596262
Energy: 0.8930792823992877
Energy: 0.8617192100045633
Energy: 0.886825236181809
Energy: 0.8925889184875657
Energy: 0.8978724293778381
Energy: 0.8856121474236625
Energy: 0.8861347129966659
Energy: 0.8680671401510827
Energy: 0.8867566228730314
Energy: 0.8667091653881732
Energy: 0.9075497069260335
Energy: 0.8646189131190222
Energy: 0.8711638401596775
Energy: 0.9076476089871184
Energy: 0.8644875191598499
Energy: 0.8707610511934853
Energy: 0.8598895139510744
Energy: 0.8699258234110743
Energy: 0.8685267415476681
Energy: 0.8572012445131121
Energy: 0.8866912377968661
Energy: 0.8680740567717738
Energy: 0.8872428029620004
Energy: 0.9109410592327718
Energy: 0.8672334297033731
Energy: 0.8715091560853725
Energy: 0.9111576470887723
Energy: 0.8735181867049946
Energy: 0.8944723381952402
Energy: 0.8765791175725451
Energy: 0.8921496896963704
Energy: 0.8924800082786223
Energy: 0.8832412587884803
Energy: 0.8863304284382572
Energy: 1.0397505917519871
Energy: 0.8653480016527018
Energy: 0.8649504370630783
Energy: 1.0398774717336443
Energy: 0.8664849993941717
Energy: 0.8647119931374658
Energy: 0.9798659952668134
Energy: 0.8917286658761867
Energy: 0.8694990157634072
Energy: 0.8906680427021892
Energy: 0.8910424229706921
Energy: 0.8942215871991225
Energy: 0.9041976397332874
Energy: 0.9335549944412745
Energy: 0.9076277591521086
Energy: 0.8537143586653377
Energy: 0.9284536040926522
Energy: 0.9079110480806986

minimum gb energy = 0.8537143586653377 eV
minimum distance =  2.32477703156454 Angstroms
sigma value = 11


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

Energy: 1.4176188220703332
Energy: 1.0066559224041183
Energy: 1.0241195612278788
Energy: 1.0286751012217799
Energy: 1.0155691837820877
Energy: 1.0204324195331735
Energy: 1.1441020726512863
Energy: 1.0045872356023886
Energy: 0.985452813552632
Energy: 0.9848352788973923
Energy: 1.0073667179610981
Energy: 0.9939987703103779
Energy: 1.1449978063003479
Energy: 0.9468811478888587
Energy: 0.9628171497790134
Energy: 1.1471130164120642
Energy: 0.946343607317383
Energy: 0.9813266430545275
Energy: 0.9788164084833052
Energy: 0.9475329533842368
Energy: 0.9616754762646266
Energy: 0.9752270100911369
Energy: 0.9460132880085845
Energy: 0.9811924061238401
Energy: 0.9937322414356559
Energy: 1.0045730136643132
Energy: 0.9905935678020974
Energy: 0.9924980002373694
Energy: 1.0070438172370026
Energy: 0.9547297097954697
Energy: 1.002687319653979
Energy: 0.9485767610399193
Energy: 0.948140135200522
Energy: 0.9557553255250726
Energy: 1.0272094545515034
Energy: 0.9548712806917404
Energy: 1.0310183981425198
Energy: 1.0479922450911197
Energy: 1.0468959325097962
Energy: 1.0319106419445068
Energy: 0.9507883181003318
Energy: 0.9959508723331539
Energy: 1.044681370623105
Energy: 0.983094782511093
Energy: 0.9521279545258317
Energy: 1.006730210366716
Energy: 0.9770536892264033
Energy: 0.9552691263664108
Energy: 1.0161184155810161
Energy: 0.9758675105956093
Energy: 0.9813441129088236
Energy: 0.9416367676602484
Energy: 0.9787968455138525
Energy: 0.9507981310957527
Energy: 1.0012473995885052
Energy: 0.9763287026340276
Energy: 0.9816597125961675
Energy: 0.9624889401840243
Energy: 1.0158862058392706
Energy: 0.9802118552615904
Energy: 1.0464456251191228
Energy: 0.9712379601704818
Energy: 0.9671104237559881
Energy: 1.008522674946946
Energy: 0.9895624574082835
Energy: 0.9863743897922178
Energy: 1.0599956412927507
Energy: 0.97133436337201
Energy: 0.9711986636261636
Energy: 1.0595412012584458
Energy: 0.9447542916616218
Energy: 0.985810938900652
Energy: 1.0174591501741905
Energy: 0.9762081298934374
Energy: 0.9650082911707536
Energy: 1.0150135099133706
Energy: 0.9747777467892589
Energy: 0.98195804550562
Energy: 1.0593819031040153
Energy: 1.0189082733516428
Energy: 0.9793332074072066
Energy: 0.9461364811763985
Energy: 1.0469327116427576
Energy: 0.9647759535166242
Energy: 1.0162574943120923
Energy: 0.9623558143459591
Energy: 0.9647255647120601
Energy: 1.0041785255692486
Energy: 0.9714845115268824
Energy: 0.9655950077485608
Energy: 1.0225749579060035
Energy: 0.9491586477400054
Energy: 0.9498713049609371
Energy: 1.01963698876748
Energy: 0.9478187373448073
Energy: 0.9675522378707317
Energy: 1.0016211736083755
Energy: 0.9485462960655116
Energy: 0.9524414675971884
Energy: 0.9890073308338728
Energy: 0.9615793612062805
Energy: 0.9523074927465582
Energy: 1.0061980635376973
Energy: 1.0375330364712414
Energy: 0.9759185501593614
Energy: 0.9501580403921828
Energy: 1.043400984356818
Energy: 1.0656863497637485
Energy: 0.9972549857341336
Energy: 0.9835394649250662
Energy: 0.9718722442275891
Energy: 0.9983779250280999
Energy: 0.9837133148766973
Energy: 0.9488644491960159
Energy: 0.9928964908351625
Energy: 0.9489459976263692
Energy: 0.9748414128659929
Energy: 0.9889837284903421
Energy: 0.948673495233996
Energy: 0.9773238779029102
Energy: 1.0825268227707208
Energy: 0.9650310337390537
Energy: 0.9702554928067394
Energy: 0.9897175513850338
Energy: 0.9651109988601065
Energy: 0.9829437507469853
Energy: 1.065535521538167
Energy: 0.983963863014456
Energy: 0.9827739141646604
Energy: 1.0103514353098175
Energy: 0.9846102917938179
Energy: 0.9795944747908578
Energy: 1.1759503590878357
Energy: 0.9874128945157828
Energy: 0.9848292690611092
Energy: 0.9450428514946515
Energy: 0.9871840619295815
Energy: 0.9727703083398056
Energy: 1.0742403114448924
Energy: 0.9879804251323121
Energy: 0.9565019976768876
Energy: 0.9813347003370101
Energy: 0.988521360537677
Energy: 0.9485998870692736
Energy: 1.0633517055157773
Energy: 0.9487754051545384
Energy: 0.9490390247611045
Energy: 1.0549006396175955
Energy: 0.9497855132167435
Energy: 0.958024897381361
Energy: 0.9887925361297693
Energy: 0.9767612986925334
Energy: 0.952303998312137
Energy: 0.9616141219726939
Energy: 0.9558627152216473
Energy: 0.9517012258944915
Energy: 0.9922431372360572
Energy: 1.0148713332136625
Energy: 0.9680467724102197
Energy: 0.9477680918966597
Energy: 1.0183357347959323
Energy: 0.9681966023357232
Energy: 0.9714442726480197
Energy: 0.9885968673659463
Energy: 0.9484547706970637
Energy: 0.973299926884232
Energy: 1.0044031433402159
Energy: 0.9648244928179616
Energy: 1.14911274462308
Energy: 0.9441841639539054
Energy: 0.9435192972815969
Energy: 1.0509174736328413
Energy: 0.9481271986658563
Energy: 0.9629668887826679
Energy: 1.1344489199051486
Energy: 1.0101540174667627
Energy: 0.9871389081548873
Energy: 0.9754983527064216
Energy: 1.0156084971535084
Energy: 0.9655205732036065
Energy: 1.2413559139744181
Energy: 1.021896539796927
Energy: 0.9948335406159903
Energy: 0.9489259949751181
Energy: 1.0254819324775766
Energy: 0.9931158599708452

minimum gb energy = 0.9416367676602484 eV
minimum distance =  2.29726165239365 Angstroms
sigma value = 57


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

Energy: 1.2921809724595013
Energy: 0.9971065692828013
Energy: 1.1602212217936256
Energy: 1.1598834794663155
Energy: 0.9959643357510725
Energy: 1.1619748900514895
Energy: 1.1308761863096455
Energy: 0.9989325088553512
Energy: 0.9906870435520297
Energy: 1.0137738606568913
Energy: 1.0050929953003582
Energy: 0.9715883362348449
Energy: 1.1058093027749238
Energy: 0.945057388207313
Energy: 0.9444243836576373
Energy: 1.091414776281749
Energy: 0.942830801964325
Energy: 0.9884343758043053
Energy: 0.9954782249932332
Energy: 1.0138993441701665
Energy: 0.9875903148311406
Energy: 0.9871047056336671
Energy: 0.945185815199963
Energy: 0.9874319261354779
Energy: 1.0347276209425156
Energy: 0.9880904896432626
Energy: 0.9880242596064556
Energy: 0.9470590100914211
Energy: 0.9872888283711205
Energy: 0.9872942809427175
Energy: 1.0223475113097165
Energy: 1.0225728014838464
Energy: 0.9471838743083798
Energy: 0.947418501297208
Energy: 1.0725741110236644
Energy: 0.9466082506688276
Energy: 1.066114828018935
Energy: 0.9275958429698186
Energy: 0.9278468572264044
Energy: 1.0670913671851323
Energy: 0.9272672315832926
Energy: 0.947408283082248
Energy: 1.1044394959257198
Energy: 0.9897976415480539
Energy: 0.987848382829583
Energy: 0.9876130318430407
Energy: 1.0205177292029943
Energy: 0.9582220437361233
Energy: 1.0462659838951232
Energy: 0.9881906510812414
Energy: 0.9277535699389599
Energy: 0.927173821606794
Energy: 0.9873433410544643
Energy: 0.9279501725856182
Energy: 1.0463450238937186
Energy: 0.9878041227681698
Energy: 0.9281933598977029
Energy: 0.9271978826207354
Energy: 1.0901190215731371
Energy: 0.9278662492629038
Energy: 1.1045030264042839
Energy: 0.9887124143553553
Energy: 0.9877834943438422
Energy: 0.9978325082696756
Energy: 1.0001800784945494
Energy: 0.9886139732304098
Energy: 1.0597303230814807
Energy: 0.9452001935801249
Energy: 0.9443753118926302
Energy: 1.04343382103905
Energy: 0.9450677570715136
Energy: 0.9889865153961264
Energy: 1.0341803303414128
Energy: 1.0015190951449395
Energy: 0.9735118908538078
Energy: 1.004163886307305
Energy: 1.0021342187992857
Energy: 0.9466089597429064
Energy: 1.0023526485112724
Energy: 0.9881617911152449
Energy: 1.104570577520794
Energy: 0.948461817764225
Energy: 0.987755239274647
Energy: 1.1072064261619754
Energy: 1.0209046016524195
Energy: 0.9279438106004458
Energy: 0.9880026743545561
Energy: 0.9872720110920193
Energy: 0.9286412461005731
Energy: 0.9481987409194971
Energy: 1.1066474002667939
Energy: 0.9270070036086604
Energy: 0.9273002031981509
Energy: 1.0912031906972888
Energy: 0.9291150958678724
Energy: 0.9888207472645029
Energy: 1.0463320173429775
Energy: 0.9973929481492935
Energy: 0.989567520628323
Energy: 1.0088079957964484
Energy: 1.0047040132535905
Energy: 0.9693419594198168

minimum gb energy = 0.9270070036086604 eV
minimum distance =  2.24608737612577 Angstroms
sigma value = 9


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

Energy: 1.1457016549128378
Energy: 1.1877384106590196
Energy: 1.0704678259133484
Energy: 1.0657896172031829
Energy: 1.18753814601294
Energy: 1.3701172154325805
Energy: 1.1912287609909675
Energy: 1.0644274068913875
Energy: 1.0634800501533166
Energy: 1.0160674634772284
Energy: 1.0923634901815498
Energy: 1.0420924195202341
Energy: 1.1503612761762796
Energy: 1.0100595383002489
Energy: 1.06840317664512
Energy: 1.1305813375380416
Energy: 1.048825127935465
Energy: 1.070322158537574
Energy: 1.0393246942186343
Energy: 1.043035578834439
Energy: 1.0421299424256962
Energy: 1.0239115926576612
Energy: 1.043265601178941
Energy: 1.0332638986037845
Energy: 1.0160865241933348
Energy: 1.0666260928248563
Energy: 1.060711499934305
Energy: 1.017425804758238
Energy: 1.0639790733100958
Energy: 1.0524030637615902
Energy: 1.0369317994998548
Energy: 1.0212579518970522
Energy: 1.0179489002020634
Energy: 1.0350364847575009
Energy: 1.0345415386059569
Energy: 1.0188996884333217
Energy: 1.066176191839795
Energy: 1.0805692779254703
Energy: 1.0416694438968372
Energy: 1.0668816184791823
Energy: 1.0786951421838864
Energy: 1.0414402643982696
Energy: 1.1318275527033466
Energy: 1.0184083882690427
Energy: 1.019407343265802
Energy: 1.0509195215613911
Energy: 1.031589445899659
Energy: 1.0351532135265782
Energy: 1.114757523567534
Energy: 1.0491761967649142
Energy: 1.0470758632031676
Energy: 1.0551924313624435
Energy: 1.0781786061582384
Energy: 1.063400585335192
Energy: 1.1148970017133812
Energy: 1.0357830307018001
Energy: 1.0341315374666427
Energy: 1.0557704991921006
Energy: 1.0418090121125567
Energy: 1.0337234038520087
Energy: 1.1437435360483381
Energy: 1.0430980340255986
Energy: 1.0517682342455033
Energy: 1.0680695348698155
Energy: 1.042653821750307
Energy: 1.0469347687797061
Energy: 1.1264228583595308
Energy: 1.0128278697108952
Energy: 1.0167008026258133
Energy: 1.105476818768219
Energy: 1.0110516123813136
Energy: 1.0608387810420872
Energy: 1.1325792525371723
Energy: 1.0553746229723568
Energy: 1.0555705285992965
Energy: 1.087421729171348
Energy: 1.0534482699700582
Energy: 1.0782662876111737
Energy: 1.1321777462354905
Energy: 1.0683879456846013
Energy: 1.072195977667037
Energy: 1.0639708024720935
Energy: 1.0819906877734777
Energy: 1.0725257978368585
Energy: 1.1285130798292096
Energy: 1.0287983021873446
Energy: 1.0292812231633435
Energy: 1.129554645858801
Energy: 1.0296080931364038
Energy: 1.0676062113595686
Energy: 1.1026658159349498
Energy: 1.0522074945584536
Energy: 1.0293419132030537
Energy: 1.103595410503634
Energy: 1.0524014796242063
Energy: 1.0313469541221654
Energy: 1.0700519420917054
Energy: 1.0729595365106719
Energy: 1.0344952722526444
Energy: 1.073180524408255
Energy: 1.0698559233420233
Energy: 1.0420606479500965
Energy: 1.0796252254095262
Energy: 1.1099233166992897
Energy: 1.1037219942333028
Energy: 1.1076230236317564
Energy: 1.1351122878856152
Energy: 1.1446749440174535
Energy: 1.0952005747665796
Energy: 1.019734310184874
Energy: 1.0677458897982177
Energy: 1.0747563155059854
Energy: 1.0237683159725162
Energy: 1.0814919967440813
Energy: 1.1890848878909974
Energy: 1.0712997712847865
Energy: 1.0583660118304754
Energy: 1.084200402207602
Energy: 1.0397798221237635
Energy: 1.0900178239394542
Energy: 1.0938710768621236
Energy: 1.0779106996625112
Energy: 1.0779941383290583
Energy: 1.0223587028757832
Energy: 1.091595741884001
Energy: 1.0549826364782418

minimum gb energy = 1.0100595383002489 eV
minimum distance =  2.23163362664925 Angstroms
sigma value = 27


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

Energy: 1.154915112773894
Energy: 1.4926857731502703
Energy: 1.0239179295215777
Energy: 0.9932391720130253
Energy: 1.4906026249675264
Energy: 0.9944405395866955
Energy: 1.16601254842893
Energy: 1.08140354114134
Energy: 1.045779557004035
Energy: 1.0061771376256319
Energy: 1.0381230747155574
Energy: 1.0458681356901525
Energy: 1.0352864204419765
Energy: 1.0308805046191014
Energy: 1.0316826143578275
Energy: 1.033416764099762
Energy: 0.9859868084137067
Energy: 1.0328374176356874
Energy: 1.1144033066727825
Energy: 1.0176024222161892
Energy: 1.0445374543007266
Energy: 1.1101824946265642
Energy: 1.0171668098663782
Energy: 1.041437291148417
Energy: 0.9873166669812868
Energy: 1.0511843803004395
Energy: 1.0041071420210645
Energy: 0.9867030846722372
Energy: 1.071800619768511
Energy: 1.0231916508485333
Energy: 1.030701538465736
Energy: 1.0269033137144938
Energy: 1.031939472716314
Energy: 1.0094056840105572
Energy: 1.026483328438611
Energy: 1.0315648013975145
Energy: 1.1345771359849959
Energy: 0.9454174210803611
Energy: 0.9465431560811044
Energy: 1.0670357890741902
Energy: 0.9445356727212889
Energy: 0.9491656781149359
Energy: 1.1424551457586072
Energy: 0.9733109910572948
Energy: 1.009835187603508
Energy: 1.029236459311736
Energy: 0.945675114944118
Energy: 1.0103485734415276
Energy: 1.1732137488904288
Energy: 1.0106191941193803
Energy: 0.9942364201678223
Energy: 1.0150856990358839
Energy: 1.0403874671159508
Energy: 1.0090889481644356
Energy: 1.1504848612783705
Energy: 1.0276764006540546
Energy: 1.0250857885005993
Energy: 1.000784614292007
Energy: 1.0294247402831431
Energy: 1.024214005756518
Energy: 1.121189650642445
Energy: 1.0307456906583694
Energy: 1.0417286272958315
Energy: 1.0284883534466693
Energy: 0.9879796645140436
Energy: 1.0284794114225746
Energy: 1.107183040694601
Energy: 0.9972835611251568
Energy: 1.0155852552756026
Energy: 1.0241465447832043
Energy: 1.018343112321038
Energy: 0.9996701765787714
Energy: 0.9435897174537785
Energy: 1.0522533061674213
Energy: 0.9787848608199232
Energy: 0.944444265351194
Energy: 1.0477789487057807
Energy: 0.9479348926563661
Energy: 0.9448417296207944
Energy: 1.0280874879050825
Energy: 1.0294573913468088
Energy: 0.9461332250409181
Energy: 1.0254737793995095
Energy: 0.9742583452720037
Energy: 1.1134243599389964
Energy: 1.0169427390637986
Energy: 1.0223718714239143
Energy: 1.0905332339764187
Energy: 1.0163693979258062
Energy: 1.0410274802652275
Energy: 1.038361321962877
Energy: 0.996674275831504
Energy: 1.0065507693072921
Energy: 1.0043429716952792
Energy: 0.9956380660077393
Energy: 1.0000490428378883
Energy: 0.9857781575630208
Energy: 1.0058707522948933
Energy: 1.020012270909358
Energy: 0.9878739373848907
Energy: 1.007272516472708
Energy: 1.0058676747162136
Energy: 1.0523521272824288
Energy: 1.0527171140248115
Energy: 1.0302405440792866
Energy: 0.9995028192140153
Energy: 1.0975660113028278
Energy: 1.0097802160722535
Energy: 1.1299757953173293
Energy: 0.9480097298881224
Energy: 0.9476682884707619
Energy: 1.1346258509461686
Energy: 0.9456747902045151
Energy: 0.9766807503873159
Energy: 1.1274163525444225
Energy: 0.9493159364860618
Energy: 0.971391755472283
Energy: 1.0014990377479756
Energy: 0.9457057949443863
Energy: 0.9734091633744789
Energy: 1.1073720929300601
Energy: 1.042984447777876
Energy: 1.0421134459164405
Energy: 1.0042534006753723
Energy: 1.0370671576011976
Energy: 1.0356378116249625
Energy: 0.9943170317722768
Energy: 1.056847066983354
Energy: 1.0101840449688508
Energy: 0.9909803824812954
Energy: 1.0572625852422424
Energy: 1.0028571175592793
Energy: 1.1606092428212909
Energy: 1.0357788957093084
Energy: 1.0538534135262665
Energy: 1.0346993483247022
Energy: 1.0363985502211452
Energy: 1.0542842172301503
Energy: 1.215277342772678
Energy: 1.0661918461671689
Energy: 1.0662733927305577
Energy: 1.106884530716149
Energy: 1.0669008212544164
Energy: 1.0350537407254015
Energy: 1.0466060694981691
Energy: 1.0886684783147533
Energy: 1.093327770448612
Energy: 0.9876123834256282
Energy: 1.0885917388433084
Energy: 1.0203311017129422

minimum gb energy = 0.9435897174537785 eV
minimum distance =  2.24721078560564 Angstroms
sigma value = 19


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

Energy: 1.5383191614667935
Energy: 1.0236032434331654
Energy: 0.9999939522721464
Energy: 1.0562034315256887
Energy: 1.046640625721859
Energy: 1.0431487247873927
Energy: 1.1152742289672888
Energy: 1.0023110085727738
Energy: 1.012581248336988
Energy: 1.0032754882106194
Energy: 1.0015169409950766
Energy: 1.0076291332690386
Energy: 1.115095488784687
Energy: 0.9946488928788674
Energy: 0.9907615052463195
Energy: 0.9961812677462144
Energy: 0.9929725822161067
Energy: 0.9924123101735889
Energy: 1.078122230454631
Energy: 1.0090737650991226
Energy: 1.00354842341784
Energy: 1.0044909121348187
Energy: 1.0028004159889137
Energy: 1.0049860581878811
Energy: 0.9996468890768605
Energy: 1.012508331365942
Energy: 1.0250539672346393
Energy: 1.0001044955034084
Energy: 1.0215422172274995
Energy: 0.9974509664055388
Energy: 1.0080741516595517
Energy: 1.0047923343032623
Energy: 1.0061056455958535
Energy: 0.9993553939450885
Energy: 1.0120084600394517
Energy: 1.007583446100443
Energy: 1.0285658192151685
Energy: 1.0066179991850452
Energy: 0.9867493051056502
Energy: 1.010631433509002
Energy: 1.007740881647006
Energy: 1.0017096888958448
Energy: 1.0287321488095156
Energy: 0.9942393221357801
Energy: 1.0079193063920109
Energy: 1.0010352597862944
Energy: 0.9881322802021785
Energy: 1.0114725694148539
Energy: 0.9851055064440084
Energy: 0.9991135887863499
Energy: 1.0004951407927185
Energy: 0.9932549247432444
Energy: 0.998623613565456
Energy: 1.0000627705042429
Energy: 0.9881818160382767
Energy: 1.0040096707343917
Energy: 1.0018770800666106
Energy: 0.9938921662518785
Energy: 1.0216418536473761
Energy: 0.9959210733441928
Energy: 1.1714180392449853
Energy: 0.9702203139029635
Energy: 0.9705486513275725
Energy: 1.1370467093336836
Energy: 0.9682321897994841
Energy: 0.9692744610598314
Energy: 1.13086689064313
Energy: 0.9916106732789801
Energy: 0.990271358545283
Energy: 1.0057567690935953
Energy: 0.9914125153214844
Energy: 0.99672870295421
Energy: 1.0378769813006365
Energy: 1.032358959986963
Energy: 1.006849672132751
Energy: 0.9696643539886637
Energy: 1.0352076343230272
Energy: 0.9892155571655084
Energy: 1.1004877270050701
Energy: 0.9917287826464802
Energy: 0.9945564580314253
Energy: 0.9787147961363802
Energy: 1.0038211954810239
Energy: 0.9991725177009184
Energy: 1.1135113496716627
Energy: 0.9818924746277836
Energy: 0.9749753870374714
Energy: 1.0043917293341864
Energy: 0.9733930390484321
Energy: 0.9779802975029669
Energy: 1.1114084604371854
Energy: 0.9874435438992182
Energy: 0.9877512143007047
Energy: 0.9906638254925487
Energy: 0.9817877270229136
Energy: 0.9890340134054528
Energy: 1.002615497902164
Energy: 1.016827317288426
Energy: 1.005380502569767
Energy: 0.9675167328291363
Energy: 1.018844394129317
Energy: 0.9999224517492594
Energy: 1.0747292458773885
Energy: 0.9933879179164501
Energy: 0.9878776270676579
Energy: 0.9772368748656389
Energy: 0.9922199099378585
Energy: 0.9937432109306844
Energy: 1.0984145527005689
Energy: 0.9755592869079169
Energy: 0.9713590128621811
Energy: 1.0227762801937796
Energy: 0.9711176469181972
Energy: 0.9928588089923672
Energy: 0.9795434044765909
Energy: 0.9761612611823693
Energy: 0.9857068689157722
Energy: 0.9816521562765711
Energy: 0.9754728034888424
Energy: 0.9870761637720857
Energy: 0.980887026209323
Energy: 0.9886055289202906
Energy: 0.9898639245693713
Energy: 0.9822050737571468
Energy: 0.9856043842007669
Energy: 0.9843394241341468
Energy: 0.9711810744020373
Energy: 0.9996028114195217
Energy: 1.005388061973775
Energy: 0.9709384384115557
Energy: 0.9993707162735761
Energy: 0.9728119159469719
Energy: 0.989701749529629
Energy: 0.9708585460470829
Energy: 0.97526217048683
Energy: 1.0052029874235766
Energy: 0.9724322176419481
Energy: 1.0002047198283452
Energy: 1.0593059869157844
Energy: 0.9796504297857275
Energy: 0.9925341978784823
Energy: 1.0038383525191454
Energy: 0.9748685737872326
Energy: 0.993748685471662
Energy: 1.0468357049487158
Energy: 0.983851402004948
Energy: 0.9835659537578297
Energy: 0.97917653903013
Energy: 0.9915618107379971
Energy: 0.9868261468639705
Energy: 0.9997367721458815
Energy: 1.0092319405840227
Energy: 1.0070075973978174
Energy: 0.9840595331234241
Energy: 1.006385576054327
Energy: 0.9996858279797602
Energy: 1.0903035025665022
Energy: 0.9915597844619358
Energy: 0.9923175595314395
Energy: 0.9969512193984682
Energy: 0.9988580663958591
Energy: 0.9954455459566957
Energy: 1.0893985822444152
Energy: 0.9872861391412511
Energy: 0.9968704872406388
Energy: 1.0103902522326942
Energy: 0.9887855418515895
Energy: 0.9934638603483162
Energy: 1.0754136448328537
Energy: 1.0494893388545794
Energy: 1.0273435431210676
Energy: 0.9686685954067572
Energy: 1.0498479441485091
Energy: 0.9878480194467975

minimum gb energy = 0.9675167328291363 eV
minimum distance =  2.21876290702141 Angstroms
sigma value = 101


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

Energy: 1.4212477395785348
Energy: 1.0253518694638863
Energy: 0.9687237099720423
Energy: 0.9731939487570738
Energy: 1.0256098129822961
Energy: 1.0037024673755583
Energy: 1.0630382796696907
Energy: 0.9538011891222127
Energy: 0.9538739654624377
Energy: 0.9561185847001468
Energy: 0.9541242577295165
Energy: 0.9500990734030198
Energy: 1.0469127583747593
Energy: 0.9481463891943616
Energy: 0.9576066156715114
Energy: 1.0505931140588525
Energy: 0.9543497057118848
Energy: 0.9499920930245979
Energy: 1.0206468381975318
Energy: 0.9509383494425654
Energy: 0.9474250887229889
Energy: 0.9537560432095349
Energy: 0.9471677630830906
Energy: 0.9484804732280536
Energy: 0.9897517195503296
Energy: 1.016525450188126
Energy: 0.9873857680712518
Energy: 0.9920053020374133
Energy: 0.9853023931934779
Energy: 0.9689846834008862
Energy: 1.005970424585708
Energy: 0.9510275676779796
Energy: 0.9462663731752501
Energy: 0.9720683585449731
Energy: 0.9545322196734386
Energy: 0.951936937732647
Energy: 1.0212091741941651
Energy: 0.9440020915965858
Energy: 0.9370985117786603
Energy: 0.9949086226832622
Energy: 0.9441179475151726
Energy: 0.9378555589689779
Energy: 0.9740435900783406
Energy: 0.9445219900129412
Energy: 0.9505709158303932
Energy: 0.9725885811489655
Energy: 0.9430794845060667
Energy: 0.949640177492405
Energy: 0.9472902503544891
Energy: 0.950362851625035
Energy: 0.9491793424539732
Energy: 0.9487514352027195
Energy: 0.9519152181974395
Energy: 0.9596187240811033
Energy: 0.9503385682054923
Energy: 0.9525118476664232
Energy: 0.9494563871938921
Energy: 0.9642186687608472
Energy: 0.9634493898735381
Energy: 0.9510681861839339
Energy: 1.1597402438624138
Energy: 0.9424899391786785
Energy: 0.9457948569701035
Energy: 1.1379093329848744
Energy: 0.9261827659817954
Energy: 0.9454074860773714
Energy: 1.0635442199960745
Energy: 0.9436738853763093
Energy: 0.9449608804922678
Energy: 0.9444353373751344
Energy: 0.9480783400375543
Energy: 0.94700237269696
Energy: 0.9804567027559069
Energy: 0.9559163360790762
Energy: 0.9512566022368899
Energy: 0.9479877707167825
Energy: 0.9424183159556953
Energy: 0.9485767343543471
Energy: 0.9769669319423683
Energy: 0.9489331973025793
Energy: 0.9470514728304209
Energy: 0.9490781700073267
Energy: 0.9466217593012719
Energy: 0.9473145335334139
Energy: 1.0628872599714883
Energy: 0.9692391790064263
Energy: 0.9770300266208255
Energy: 0.9450127817731376
Energy: 0.9656035368110228
Energy: 0.9805497432385685
Energy: 1.0623166117621827
Energy: 0.9624475920112862
Energy: 0.9509581522224089
Energy: 0.9478416882904243
Energy: 0.9489107785839184
Energy: 0.9509258226923217
Energy: 0.9884533021979608
Energy: 1.0024673005380262
Energy: 0.9418883221299534
Energy: 0.9264858109334401
Energy: 0.9992154696880995
Energy: 0.923372923413809
Energy: 1.0958445281404885
Energy: 0.9498652841378922
Energy: 0.949563069675732
Energy: 0.942901922285102
Energy: 0.9529441283602171
Energy: 0.9415669037100818
Energy: 1.0492309435451217
Energy: 0.9396460278548256
Energy: 0.9473076375617319
Energy: 0.9522571134576802
Energy: 0.9543891442491119
Energy: 0.9481460957097241
Energy: 1.0320046187882341
Energy: 0.945756036402205
Energy: 0.9459090435275909
Energy: 0.9512188595597768
Energy: 0.948414394122179
Energy: 0.9522401929989728
Energy: 0.9752993962982138
Energy: 0.9499321669593351
Energy: 0.9460082452069828
Energy: 0.9769200208707625
Energy: 0.9518784775037096
Energy: 0.9452303064778513
Energy: 0.9980290516922039
Energy: 0.9503603413462307
Energy: 0.9479814761979202
Energy: 0.9612505504026523
Energy: 0.9534023916294335
Energy: 0.9463555573528909
Energy: 1.032867676452944
Energy: 0.9408206531897512
Energy: 0.9387037522234764
Energy: 1.00085215294948
Energy: 0.9447212195458807
Energy: 0.9391231708395299
Energy: 0.9788095751660857
Energy: 0.9399429708936329
Energy: 0.9415057830608945
Energy: 0.9727055071136373
Energy: 0.9448510954537822
Energy: 0.9516709032767282
Energy: 0.9488939513182408
Energy: 0.9512402569686992
Energy: 0.9505882090324927
Energy: 0.9497824938456447
Energy: 0.9533323374067377
Energy: 0.9470908872644044
Energy: 0.9538962419049047
Energy: 0.9502284668647112
Energy: 0.9484920007240374
Energy: 0.9534062952544368
Energy: 0.9472568987052917
Energy: 0.9453949947903948
Energy: 0.9934271326963023
Energy: 0.929792419429052
Energy: 0.9352708665096823
Energy: 0.9499542077901049
Energy: 0.927481057140532
Energy: 0.9386004515006136
Energy: 1.0649342537329674
Energy: 0.9397201858226883
Energy: 0.9402767886903428
Energy: 0.9494937712277998
Energy: 0.9551386176028027
Energy: 0.94883804735774
Energy: 0.9802950590554688
Energy: 0.9476358297039982
Energy: 0.9464650869072075
Energy: 0.9528027241434425
Energy: 0.950163255581916
Energy: 0.9442982006070985
Energy: 0.9771184114310552
Energy: 0.9474481256947365
Energy: 0.9467493340394364
Energy: 0.9493113271715427
Energy: 0.9480711265238492
Energy: 0.945353917484792
Energy: 1.065418980565089
Energy: 0.9537046163352683
Energy: 0.9561599544600748
Energy: 0.9483815930891122
Energy: 0.9580265042422377
Energy: 0.9509641408411375
Energy: 1.0584305015270377
Energy: 0.9483152046339464
Energy: 0.9414064352666786
Energy: 0.9496033465945787
Energy: 0.9484973708448153
Energy: 0.9467939700087264
Energy: 0.98854029442206
Energy: 0.9977487362098562
Energy: 0.9433993088753183
Energy: 0.9338492011810904
Energy: 0.9985751381827842
Energy: 0.9413354268747991

minimum gb energy = 0.923372923413809 eV
minimum distance =  2.21869070502817 Angstroms
sigma value = 33


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

Energy: 0.01535090273296568
Energy: 0.8856928890453092
Energy: 0.01585353651181401
Energy: 0.01695264432831201
Energy: 0.8870688597920298
Energy: 0.015758623696399337
Energy: 0.33079856418023795
Energy: 0.10989560513341552
Energy: 0.10901470180268218
Energy: 0.10819090514396704
Energy: 0.11071020305914425
Energy: 0.10829301624528166
Energy: 1.1140031389848004
Energy: 0.8850673107976268
Energy: 0.8849978862925563
Energy: 0.8842105151684254
Energy: 0.8840608738009709
Energy: 0.8849641396515279
Energy: 0.015996110190742062
Energy: 0.10989560513469676
Energy: 0.10901470180268218
Energy: 0.10819090514354818
Energy: 0.11071020305828189
Energy: 0.10829301624614404

minimum gb energy = 0.01535090273296568 eV
minimum distance =  2.52621934206035 Angstroms
sigma value = 1