Model name: model_name=Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.647307395935058
cohesive_energy=4.1514736222019355
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01578099954717035
Energy: 0.016410295071511975
Energy: 1.4087291224810154
Energy: 0.016410295071511975
Energy: 0.01641029507089582
Energy: 1.6107521257916855
Energy: 0.016410295071511975
Energy: 1.610752125790487
Energy: 1.4087291224810154
Energy: 0.016410295071511975
Energy: 0.01578099954717035
Energy: 0.01641029507089582
Energy: 0.016410295071511975
Energy: 1.6107521257916855
Energy: 0.016410295071511975
Energy: 1.610752125790487

minimum gb energy = 0.01578099954717035 eV
minimum distance =  2.53457561368962 Angstroms
sigma value = 1


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

Energy: 1.5710881003471235
Energy: 1.4090783967445932
Energy: 1.2087958536985126
Energy: 1.4090783967445932
Energy: 1.2458684250064296
Energy: 1.3480930991686235
Energy: 1.3448125418549832
Energy: 1.3480930991678761
Energy: 1.224348818190459
Energy: 1.3988110779470153
Energy: 1.4869228028377226
Energy: 1.3988110779462684
Energy: 1.3212259205509647
Energy: 1.348241498023551
Energy: 1.3642989075537606
Energy: 1.348241498023551
Energy: 1.3231211069514748
Energy: 1.4141273479961936
Energy: 1.4099853056510507
Energy: 1.4141273479961936
Energy: 1.2081554370594851
Energy: 1.6764989205245964
Energy: 1.2659039000006278
Energy: 1.6764989205253436
Energy: 1.3568872722270569
Energy: 1.3980358353241
Energy: 1.2112132058564369
Energy: 1.3980358353241
Energy: 1.1572774453956405
Energy: 1.417186297633359
Energy: 1.2280766539622803
Energy: 1.4171862976326117
Energy: 1.2249759462168868
Energy: 1.6431404450074507
Energy: 1.2692833898173062
Energy: 1.6431404450074507
Energy: 1.3071860552284906
Energy: 1.3976763158052161
Energy: 1.1440130869366698
Energy: 1.3976763158052161
Energy: 1.2816689119399753
Energy: 1.3475656085030097
Energy: 1.224443664726607
Energy: 1.3475656085022627
Energy: 1.286788136195795
Energy: 1.4168484028394248
Energy: 1.3296828422893552
Energy: 1.4168484028394248
Energy: 1.3385400187507936
Energy: 1.3950286003729584
Energy: 1.3567508527095122
Energy: 1.3950286003722112
Energy: 1.3276777046129922
Energy: 1.4029998911049337
Energy: 1.2813903418079533
Energy: 1.4029998911056814
Energy: 1.4791283646656428
Energy: 1.4096494912627169
Energy: 1.2468785350376357
Energy: 1.4096494912634643
Energy: 1.2449460736992413
Energy: 1.409745539929857
Energy: 1.2543498002182103
Energy: 1.4097455399283625
Energy: 1.486520868743196
Energy: 1.3989122746207023
Energy: 1.1926241905010286
Energy: 1.3989122746207023
Energy: 1.3496252868061034
Energy: 1.3328407833840956
Energy: 1.3560050444807066
Energy: 1.3328407833811065
Energy: 1.2034619874945949
Energy: 1.4140418145616402
Energy: 1.3346040562516457
Energy: 1.4140418145593985
Energy: 1.3550145612091447
Energy: 1.582450670881922
Energy: 1.2263950558222885
Energy: 1.5824506708864052
Energy: 1.2582520318674633
Energy: 1.3992822974773282
Energy: 1.2000812656440907
Energy: 1.3992822974765808
Energy: 1.2259705203880815
Energy: 1.5962818226958218
Energy: 1.3351021411624997
Energy: 1.5962818227017996
Energy: 1.3272875562452187
Energy: 1.4137498240592818
Energy: 1.1950746468435227
Energy: 1.4137498240577875
Energy: 1.2769967600443515
Energy: 1.398731052213659
Energy: 1.211604941334473
Energy: 1.398731052213659
Energy: 1.3765949110350149
Energy: 1.675200283937168
Energy: 1.356738034521421
Energy: 1.6752002839341793
Energy: 1.323951633862841
Energy: 1.4163007454868426
Energy: 1.1848035915908373
Energy: 1.4163007454860954
Energy: 1.2282708325983316
Energy: 1.6688966390821507
Energy: 1.2873528284957
Energy: 1.6688966390828979
Energy: 1.1858105995051444
Energy: 1.395366301729967
Energy: 1.535329958826748
Energy: 1.3953663017307143
Energy: 1.2451790179063762
Energy: 1.2843681710200956
Energy: 1.224174757581457
Energy: 1.2843681710215897
Energy: 1.571153117107124
Energy: 1.4102841112234896
Energy: 1.2623137667719613
Energy: 1.4102841112227422
Energy: 1.2465480793128094
Energy: 1.4026420188534654
Energy: 1.3448979703652901
Energy: 1.4026420188542128
Energy: 1.2757168991615122
Energy: 1.3948513112364547
Energy: 1.3961736303867882
Energy: 1.3948513112364547
Energy: 1.325597111603451
Energy: 1.5051430059221518
Energy: 1.284043047413458
Energy: 1.5051430073293137

minimum gb energy = 1.1440130869366698 eV
minimum distance =  2.24181962928751 Angstroms
sigma value = 1


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

Energy: 1.7086982028113946
Energy: 1.5178229485889674
Energy: 1.282191343515618
Energy: 1.5178229485855597
Energy: 1.312899268358974
Energy: 1.43105454264263
Energy: 1.2989227616951224
Energy: 1.4310545426468901
Energy: 1.25932846937483
Energy: 1.556019683942638
Energy: 1.3928411964785135
Energy: 1.556019683941786
Energy: 1.404813762724549
Energy: 1.2896970263184009
Energy: 1.2746090193452377
Energy: 1.2896970263201049
Energy: 1.40557967552463
Energy: 1.4976582107729457
Energy: 1.2927363968925902
Energy: 1.4976582107746497
Energy: 1.3871359605032807
Energy: 1.497880437551644
Energy: 1.296843908083972
Energy: 1.49788043754994
Energy: 1.435408379910739
Energy: 1.5625056729111269
Energy: 1.2655663372113266
Energy: 1.5625056729111269
Energy: 1.2294687794546924
Energy: 1.5225071502153913
Energy: 1.3007224876503005
Energy: 1.5225071502145393
Energy: 1.2827570682766063
Energy: 1.312544391649049
Energy: 1.3069096977181258
Energy: 1.3125443916456407
Energy: 1.4250301707761692
Energy: 1.5231213326306094
Energy: 1.215091152331559
Energy: 1.5231213326323134
Energy: 1.4356165585249037
Energy: 1.4117400134138551
Energy: 1.3067241359762714
Energy: 1.4117400134147071
Energy: 1.262002685162879
Energy: 1.5050530995847733
Energy: 1.363115632003937
Energy: 1.5050530995856253
Energy: 1.3319779424464397
Energy: 1.5294578963613472
Energy: 1.3692672305103408
Energy: 1.529457896358791
Energy: 1.4466748673787628
Energy: 1.5292752080430312
Energy: 1.2790524807084231
Energy: 1.5292752080421792
Energy: 1.2572813164645216
Energy: 1.5051752040572488
Energy: 1.417028290136042
Energy: 1.5051752040572488
Energy: 1.4356024809092294
Energy: 1.4110955476397096
Energy: 1.2951387468873687
Energy: 1.4110955476371538
Energy: 1.4248733597680918
Energy: 1.5224858973997413
Energy: 1.3090060279205908
Energy: 1.5224858973988895
Energy: 1.2825386101040395
Energy: 1.3130022172345264
Energy: 1.3070913069728511
Energy: 1.3130022172370825
Energy: 1.2294847071872488
Energy: 1.5210017770422912
Energy: 1.3300656332778593
Energy: 1.5210017770431432
Energy: 1.4353802445062704
Energy: 1.554448254100803
Energy: 1.2764788057113903
Energy: 1.5544482540990987
Energy: 1.3866898058679247
Energy: 1.4975450380630846
Energy: 1.351374849015499
Energy: 1.4975450380613806
Energy: 1.4050764989373072
Energy: 1.497446731703748
Energy: 1.3109830906086553
Energy: 1.4974467317020441
Energy: 1.4048179461074122
Energy: 1.314047466348169
Energy: 1.2649223560869012
Energy: 1.3140474663507247
Energy: 1.2592860361773492
Energy: 1.5560751954976852
Energy: 1.6151222039172608
Energy: 1.556075195500241
Energy: 1.312850375783139
Energy: 1.4317411295135367
Energy: 1.2987700631503427
Energy: 1.4317411295109808
Energy: 1.7086982028113946
Energy: 1.5178229485889674
Energy: 1.2821913751851979
Energy: 1.5178229485855597
Energy: 1.312899268358122
Energy: 1.4310545426588184
Energy: 1.2989227616934185
Energy: 1.4310545426562622
Energy: 1.25932846937483
Energy: 1.55601968394349
Energy: 1.3607691773520352
Energy: 1.556019683942638
Energy: 1.404813762724549
Energy: 1.2896970263201049
Energy: 1.2774037958957363
Energy: 1.2896970263201049

minimum gb energy = 1.215091152331559 eV
minimum distance =  2.31701434377829 Angstroms
sigma value = 25


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

Energy: 1.5852452811941822
Energy: 1.6112733812086528
Energy: 1.3732204942088966
Energy: 1.6112733812086528
Energy: 1.4944653957044725
Energy: 1.472299777806017
Energy: 1.3409352602915783
Energy: 1.4722997778040359
Energy: 1.3604770338634722
Energy: 1.6551790449888717
Energy: 1.4698807674730192
Energy: 1.6551790449878814
Energy: 1.3312126834771105
Energy: 1.3944488549695817
Energy: 1.34653846045604
Energy: 1.3944488549685914
Energy: 1.3499262491525814
Energy: 1.6178437879101688
Energy: 1.3890678470276787
Energy: 1.6178437879101688
Energy: 1.5874689191272067
Energy: 1.654244004246634
Energy: 1.4125640318576684
Energy: 1.654244004246634
Energy: 1.5491023742101528
Energy: 1.6951424006338702
Energy: 1.3843522397152557
Energy: 1.6951424006328801
Energy: 1.4560846996795769
Energy: 1.617427055787306
Energy: 1.3137913888993789
Energy: 1.617427055787306
Energy: 1.3924747327643512
Energy: 1.5040860649890273
Energy: 1.5486694797892724
Energy: 1.504086064990018
Energy: 1.5364252860140821
Energy: 1.6544932021391474
Energy: 1.4171237768773612
Energy: 1.6544932021391474
Energy: 1.493251366855587
Energy: 1.6111808471325442
Energy: 1.3933402174666485
Energy: 1.6111808471315536
Energy: 1.3605951324562375
Energy: 1.643859078465855
Energy: 1.393104361778482
Energy: 1.6438590784688263
Energy: 1.4686267986870087
Energy: 1.5359304184651998
Energy: 1.335839582660216
Energy: 1.5359304184651998
Energy: 1.3873003881169366
Energy: 1.5432918471661894
Energy: 1.439717823634959
Energy: 1.5432918471671797
Energy: 1.325190580569821
Energy: 1.6190430755242315
Energy: 1.329414297361765
Energy: 1.6190430755242315
Energy: 1.3753827209018097
Energy: 1.826239472631794
Energy: 1.3535943314075887
Energy: 1.826239472631794
Energy: 1.2918043209361925
Energy: 1.6565798450609162
Energy: 1.3136827075483053
Energy: 1.6565798450619063
Energy: 1.35135330226015
Energy: 1.5135276212370425
Energy: 1.3529328378664116
Energy: 1.5135276212340714
Energy: 1.456794632604301
Energy: 1.639855949145653
Energy: 1.3512724907296798
Energy: 1.6398559490684435
Energy: 1.4842740405023447
Energy: 1.6540671688096078
Energy: 1.4776438189272267
Energy: 1.6540671688096078
Energy: 1.4771146670739914
Energy: 1.5089596233307483
Energy: 1.3420133712409958
Energy: 1.508959623327777
Energy: 1.5885494726839995
Energy: 1.6135486235624086
Energy: 1.4520419755227933
Energy: 1.6135486235624086
Energy: 1.40094073980083
Energy: 1.5502574746657558
Energy: 1.4226071275079915
Energy: 1.5502574746677367
Energy: 1.3554271751150542
Energy: 1.6562979162442977
Energy: 1.536357525141501
Energy: 1.6562979162433074
Energy: 1.4553454718864665
Energy: 1.3670486951052616
Energy: 1.347522653397784
Energy: 1.367048695103281

minimum gb energy = 1.2918043209361925 eV
minimum distance =  2.25538050892306 Angstroms
sigma value = 9


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

Energy: 1.7522766620663488
Energy: 1.7619858064799416
Energy: 1.4759712866683776
Energy: 1.7619858064811234
Energy: 1.616342809683562
Energy: 1.5654955150473537
Energy: 1.5455127486655509
Energy: 1.5654955150473537
Energy: 1.4548301582238363
Energy: 1.6754391680570253
Energy: 1.4525740186187677
Energy: 1.675439168055844
Energy: 1.6177863028279615
Energy: 1.6567004510521002
Energy: 1.4418803566378553
Energy: 1.6567004510509187
Energy: 1.6267364062433958
Energy: 1.6318887644686024
Energy: 1.5491770436078058
Energy: 1.6318887644686024
Energy: 1.3821588769410902
Energy: 1.6878666773624902
Energy: 1.5153601050600922
Energy: 1.6878666773624902
Energy: 1.5678624826503058
Energy: 1.441009257788126
Energy: 1.4445647777588697
Energy: 1.441009257790489
Energy: 1.458967215406354
Energy: 1.6746957397148756
Energy: 1.431109172679791
Energy: 1.6746957397136941
Energy: 1.575828029425913
Energy: 1.6384211082265823
Energy: 1.5090811959075727
Energy: 1.6384211082265823
Energy: 1.641012278420006
Energy: 1.7020877184686043
Energy: 1.5155898390613698
Energy: 1.7020877184686043
Energy: 1.4269040922642278
Energy: 1.7486973843274642
Energy: 1.4731936538259272
Energy: 1.7486973843286455
Energy: 1.6168525740205975
Energy: 1.6691098065608498
Energy: 1.433448943181543
Energy: 1.6691098065608498
Energy: 1.4077833561932576
Energy: 1.7801993953261623
Energy: 1.3799452093824107
Energy: 1.7801993953249808
Energy: 1.49756118340287
Energy: 1.4693337860439457
Energy: 1.605540941304611
Energy: 1.4693337860451274
Energy: 1.3848646300566871
Energy: 1.7800733947962977
Energy: 1.5010708563661217
Energy: 1.7800733947962977
Energy: 1.6172059710173103
Energy: 1.6690334155296531
Energy: 1.441343212784738
Energy: 1.6690334155296531
Energy: 1.4272425732709477
Energy: 1.7484606213258875
Energy: 1.452744203680016
Energy: 1.748460621324706
Energy: 1.6334906908953448
Energy: 1.647188699585617
Energy: 1.5155982467161853
Energy: 1.6471886995738019
Energy: 1.5731034647256243
Energy: 1.637196008357681
Energy: 1.504219280166739
Energy: 1.637196008357681
Energy: 1.4589915499234192
Energy: 1.7077958092965144
Energy: 1.4311779957554327
Energy: 1.7077958092965144
Energy: 1.464492578337411
Energy: 1.4409675291037258
Energy: 1.4446480390391654
Energy: 1.4409675291037258

minimum gb energy = 1.3799452093824107 eV
minimum distance =  2.36745238921646 Angstroms
sigma value = 25


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

Energy: 1.5275204512167513
Energy: 1.8169420654998911
Energy: 1.5073284427184572
Energy: 1.8169420654998911
Energy: 1.5482225702993606
Energy: 1.7593558494061863
Energy: 1.413528002771904
Energy: 1.7593558494076473
Energy: 1.6216654206279983
Energy: 2.0607297083809413
Energy: 1.4149081293532053
Energy: 2.0607297083824028
Energy: 1.6857070462526706
Energy: 1.8042508959363772
Energy: 1.6261705689635868
Energy: 1.8042508959363772
Energy: 1.628470098246912
Energy: 1.5471380064040952
Energy: 1.4413901963209883
Energy: 1.5471380064070175
Energy: 1.3996379972309079
Energy: 1.6786108589585298
Energy: 1.6233210442992152
Energy: 1.6786108591235769
Energy: 1.4780482218658804
Energy: 1.6346073073382352
Energy: 1.53814119345706
Energy: 1.6346073073396963
Energy: 1.623666483454399
Energy: 1.8184563015040578
Energy: 1.5434248171756033
Energy: 1.8184563015025965
Energy: 1.3986447904733206
Energy: 1.4423849394109365
Energy: 1.5476617998966353
Energy: 1.4423849391743244
Energy: 1.721756249604791
Energy: 1.7023111682554015
Energy: 1.4953021414985366
Energy: 1.7023111682554015
Energy: 1.4581385559912068
Energy: 1.8163347507652514
Energy: 1.6983512281938542
Energy: 1.8163347507667127
Energy: 1.4221087902714962
Energy: 2.1950197969199907
Energy: 1.8336307400349954
Energy: 2.1950197969199907
Energy: 1.5827541202685116
Energy: 1.9121093725215592
Energy: 1.5312117235114453
Energy: 1.9121093725215592
Energy: 1.5475875676126754
Energy: 1.5712204298799972
Energy: 1.706925969120661
Energy: 1.571220429885842
Energy: 1.5710310012177313
Energy: 1.9068779427067517
Energy: 1.606498722341063
Energy: 1.9068779427067517
Energy: 1.4237123933806228
Energy: 1.8563919990287483
Energy: 1.506370987515326
Energy: 1.8563919990287483
Energy: 1.4141278056219904
Energy: 1.531923056325763
Energy: 1.6593584234718224
Energy: 1.5319230563169959

minimum gb energy = 1.3986447904733206 eV
minimum distance =  2.34520603379235 Angstroms
sigma value = 17


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

Energy: 1.5605250974704397
Energy: 2.073239596058363
Energy: 1.6469523632845333
Energy: 2.0732395960591905
Energy: 1.6894629199563695
Energy: 1.5468835443546185
Energy: 1.3943673498571263
Energy: 1.546883544355446
Energy: 1.7474713630573513
Energy: 1.8088703513353923
Energy: 1.4440981422366388
Energy: 1.8088703513329096
Energy: 1.5319338891418282
Energy: 1.6786590986739602
Energy: 1.5947461566363954
Energy: 1.6786590986789254
Energy: 1.742472163388539
Energy: 1.744917781939037
Energy: 1.6387742313407245
Energy: 1.7449177819382093
Energy: 1.4785165310191797
Energy: 1.5796486906759615
Energy: 1.6310422596282497
Energy: 1.579648690676789
Energy: 1.499821559420094
Energy: 1.6200232770060454
Energy: 1.4848996394805707
Energy: 1.6200232770060454
Energy: 1.655432029760372
Energy: 1.7106971171404453
Energy: 1.4614915343403592
Energy: 1.7106971171387901
Energy: 1.597353176078782
Energy: 2.028521498163415
Energy: 1.7715832387154533
Energy: 2.028521498163415
Energy: 1.8223744999684575
Energy: 1.90734594423674
Energy: 1.4744038887691953
Energy: 1.9073459442359124
Energy: 1.4589183416677494
Energy: 1.9144566922709034
Energy: 1.786977505541115
Energy: 1.9144566922882442
Energy: 1.4939143116046856
Energy: 1.6018392445181076
Energy: 1.5139240955993167
Energy: 1.6018392445164527
Energy: 1.804718005830262
Energy: 1.6568250795525112
Energy: 1.6478389434685914
Energy: 1.6568250795516835
Energy: 1.4445228851677625
Energy: 1.8131184140246883
Energy: 1.6841063092017983
Energy: 1.8131184140255159
Energy: 1.6834606365030722
Energy: 1.7262201745792225
Energy: 1.4950301411202198
Energy: 1.726220174578395
Energy: 1.6030536217778273
Energy: 1.8362989874284785
Energy: 1.5200429053030164
Energy: 1.8362989874259958
Energy: 1.6154017275874304
Energy: 1.6094946699448573
Energy: 1.80093421246952
Energy: 1.6094946699423744
Energy: 1.6528947780342795
Energy: 1.7740608747879076
Energy: 1.4777407599006427
Energy: 1.7740608748168718
Energy: 1.5777193247172125
Energy: 1.829657845563772
Energy: 1.6388523823084378
Energy: 1.8296578455621169
Energy: 1.5540295934306243
Energy: 1.758347332179468
Energy: 1.4946750485775968
Energy: 1.758347332182778
Energy: 1.500379150608758
Energy: 1.8789397820246891
Energy: 1.6722173651762535
Energy: 1.8789397820246891
Energy: 1.4982789993274253
Energy: 1.8475553765390549
Energy: 1.8132604290327632
Energy: 1.8475553765398824
Energy: 1.6048135770987932
Energy: 2.056860506926786
Energy: 1.4587516453914529
Energy: 2.056860506925959
Energy: 1.587095052223391
Energy: 1.744001519251258
Energy: 1.707250450063321
Energy: 1.7440015192496028
Energy: 1.6166794361805787
Energy: 1.9911509671363758
Energy: 1.7369880865875853
Energy: 1.9911509671429966
Energy: 1.706632757182232
Energy: 1.9995539033712606
Energy: 1.4501636987302458
Energy: 1.9995539033712606
Energy: 1.4962438269270113
Energy: 1.9901281372133501
Energy: 1.9070869212115258
Energy: 1.9901281372133501
Energy: 1.5848203486421772
Energy: 1.6375223108279295
Energy: 1.7021375279893252
Energy: 1.6375223107154588
Energy: 1.8475666905163626
Energy: 1.7069911492291068
Energy: 1.4931086128590016
Energy: 1.7069911492324172
Energy: 1.4744383362919289
Energy: 1.8586696382065089
Energy: 1.6418661645373431
Energy: 1.8586696382073364

minimum gb energy = 1.3943673498571263 eV
minimum distance =  2.2446627857472 Angstroms
sigma value = 53


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

Energy: 1.282201715247338
Energy: 1.2800854035690414
Energy: 1.5835643111779367
Energy: 1.2800854035709468
Energy: 1.627056700598085
Energy: 1.4340613783359404
Energy: 1.4648830812840576
Energy: 1.433474665394398
Energy: 1.3036508102064346
Energy: 1.6949061050696843
Energy: 1.527504163928384
Energy: 1.6949061050715892
Energy: 1.354406224036398
Energy: 1.6953676330237104
Energy: 1.5214597331703332
Energy: 1.6953676330237104
Energy: 1.6271913101620044
Energy: 1.4329418762432977
Energy: 1.6841295870064072
Energy: 1.432938203518177
Energy: 1.2822017152492429
Energy: 1.2800854035690414
Energy: 1.6920076750400128
Energy: 1.2800854035690414
Energy: 1.627056700598085
Energy: 1.4336695957539287
Energy: 1.502971996001474
Energy: 1.4336686737292765
Energy: 1.3036508102102449
Energy: 1.6949061050715892
Energy: 1.52750416379511
Energy: 1.6949061050696843
Energy: 1.354406224036398
Energy: 1.6953676330218053
Energy: 1.5014374424908303
Energy: 1.6953676330218053
Energy: 1.6271913101620044
Energy: 1.434675192577375
Energy: 1.6841295870064072
Energy: 1.4346794052091654
Energy: 1.282201715247338
Energy: 1.2800854035690414
Energy: 1.6920083463952267
Energy: 1.2800854035690414
Energy: 1.627056700598085
Energy: 1.4336324053779326
Energy: 1.502971996001474
Energy: 1.433633034649916
Energy: 1.3036508102102449
Energy: 1.6949061050715892
Energy: 1.5275041688853275
Energy: 1.6949061050715892

minimum gb energy = 1.2800854035690414 eV
minimum distance =  2.2799346114587 Angstroms
sigma value = 9


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

Energy: 1.4333105186292563
Energy: 2.1489217397749525
Energy: 1.7509204081040233
Energy: 2.148921739773542
Energy: 1.8814830536608393
Energy: 1.5543003207122474
Energy: 1.614473315350995
Energy: 1.5543003207143629
Energy: 1.5866915192268198
Energy: 1.756739874207113
Energy: 1.641976187417698
Energy: 1.7567398743107667
Energy: 1.5840568791014227
Energy: 1.9877791894336125
Energy: 1.6306644903668128
Energy: 1.9877791894322023
Energy: 1.869011513221132
Energy: 1.4935115970791508
Energy: 1.53618224469344
Energy: 1.4935115970784454
Energy: 1.4149411694637568
Energy: 1.4145845452608317
Energy: 1.5261431749161998
Energy: 1.414584545261537
Energy: 1.8984296966534078
Energy: 2.060956271846555
Energy: 1.4466387966785543
Energy: 2.0609562718472607
Energy: 1.5164276358042519
Energy: 2.0581497759950413
Energy: 1.7574023732822692
Energy: 2.0581497759957466
Energy: 1.4682518595360885
Energy: 1.9979909985374429
Energy: 1.513931157397517
Energy: 1.997990998538148
Energy: 1.4665035121016627
Energy: 1.496061450033196
Energy: 1.4446775754636778
Energy: 1.4960614500339013
Energy: 1.4449953097453905
Energy: 1.9733406869855026
Energy: 1.8013549295370965
Energy: 1.9733406869826822
Energy: 1.7000025252023232
Energy: 2.0338304898608817
Energy: 1.4960305183677178
Energy: 2.0338304898594717
Energy: 1.3955276334228792
Energy: 1.7150444844140338
Energy: 1.8079791218356698
Energy: 1.7150444843773671
Energy: 1.7257458779138353
Energy: 1.9515184872221936
Energy: 1.5209214663974708
Energy: 1.9515184872228983
Energy: 1.4539027018334012
Energy: 1.6709756917322824
Energy: 1.6637148248794873
Energy: 1.6709756917329874
Energy: 1.4404049599666353
Energy: 1.789673522530641
Energy: 1.5649543263139871
Energy: 1.7896735225299356
Energy: 1.5991057132635595
Energy: 1.6763122443989689
Energy: 1.4736452329190473
Energy: 1.6763122443989689
Energy: 1.447361404859295
Energy: 1.4854184231992453
Energy: 1.9102214460519444
Energy: 1.4854184231999505
Energy: 1.817757291112403
Energy: 1.8197278971931916
Energy: 1.4174047259210958
Energy: 1.8197278971960122
Energy: 1.4583435567234646
Energy: 1.5208627698380928
Energy: 1.6665619572029076
Energy: 1.5208627698387978
Energy: 1.683005128506883
Energy: 1.9177607066453892
Energy: 1.6786195967917095
Energy: 1.9177607066432738
Energy: 1.6744813301641805
Energy: 1.5437702071967485
Energy: 1.4613402823265198
Energy: 1.5437702071953383
Energy: 1.5435569426072693
Energy: 1.819000564692386
Energy: 1.4257985307992915
Energy: 1.819000564695206
Energy: 1.855104873922319
Energy: 2.143200870770787
Energy: 1.464386182276849
Energy: 2.143200870770082
Energy: 1.444683718157705
Energy: 2.0107804703721586
Energy: 1.8444376877284
Energy: 2.010780470370043
Energy: 1.6177324295192745
Energy: 1.6563970261243512
Energy: 1.4317430829399342
Energy: 1.6563970261271717
Energy: 1.6749984957166504
Energy: 1.8290762802970972
Energy: 1.6753047664068197
Energy: 1.8290762803006229
Energy: 1.600541482484269
Energy: 1.968948588799267
Energy: 1.6633505885642885
Energy: 1.9689485887978568
Energy: 1.6667270553462037
Energy: 1.6524290028327322
Energy: 1.429798333986997
Energy: 1.6524290028341424
Energy: 1.487547560715473
Energy: 2.034073097288
Energy: 1.8437337609359106
Energy: 2.034073097288
Energy: 1.7615067578639179
Energy: 2.1465924823173936
Energy: 1.4569699881313403
Energy: 2.1465924823173936
Energy: 1.5723097418917311
Energy: 1.558262647912383
Energy: 1.4986486802459205
Energy: 1.5582626479095627
Energy: 1.5660349457380307
Energy: 1.6084607142686456
Energy: 1.4672332319194519
Energy: 1.6084607142693508
Energy: 1.736784529353056
Energy: 1.9185384379945192
Energy: 1.6279112163337284
Energy: 1.9185384379959294
Energy: 1.5726476357248114
Energy: 1.7747303098196854
Energy: 1.9274863905361819
Energy: 1.7747303098161598

minimum gb energy = 1.3955276334228792 eV
minimum distance =  2.30183954638306 Angstroms
sigma value = 73


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

Energy: 1.443362917251313
Energy: 1.4408547421246918
Energy: 1.7142956640506362
Energy: 1.4408547421324978
Energy: 1.6873081427238195
Energy: 2.0142182012862992
Energy: 1.6325025629990297
Energy: 2.0142182012862992
Energy: 1.5547863684548773
Energy: 1.9595408567525974
Energy: 1.615050308386225
Energy: 1.9595408567525974
Energy: 1.454438392167635
Energy: 1.6072235684591716
Energy: 1.6726633294832152
Energy: 1.6072235684580527
Energy: 1.527011707460097
Energy: 1.5486497050358454
Energy: 1.4914120217704245
Energy: 1.5486497050358454
Energy: 1.4909407315172805
Energy: 1.5631048331026578
Energy: 1.7780948879447205
Energy: 1.5631048331037767
Energy: 1.8605860445407527
Energy: 1.7557172496364533
Energy: 1.4868511284020987
Energy: 1.755717249637572
Energy: 1.4666897363255527
Energy: 1.7302993232590527
Energy: 1.8826373426005294
Energy: 1.7302993232098534
Energy: 1.7724527555734286
Energy: 1.4422472086257254
Energy: 1.4414091033203233
Energy: 1.4422472086402691
Energy: 1.4882245662088551
Energy: 1.5516815174019263
Energy: 1.5017742853532599
Energy: 1.5516815173996892
Energy: 1.5641389355706607
Energy: 1.8505423851991918
Energy: 1.669938864268894
Energy: 1.8505423851980731
Energy: 1.7441568336745052
Energy: 1.6219619489315358
Energy: 1.4663768373514572
Energy: 1.6219619489304171
Energy: 1.6146709942192086
Energy: 1.5348806743178345
Energy: 1.8378117514993568
Energy: 1.534880674316716
Energy: 1.859133296982709
Energy: 1.5361400545678967
Energy: 1.5048313825711632
Energy: 1.5361400545701343
Energy: 1.432556625199811
Energy: 1.954106194712632
Energy: 1.7435937487007314
Energy: 1.9541061947115133
Energy: 1.7830802152985377
Energy: 1.8501511458330702
Energy: 1.4058935474682954
Energy: 1.850151145828595
Energy: 1.5445516255232528
Energy: 1.512458249596979
Energy: 1.4846189504402068
Energy: 1.5124582496025727
Energy: 1.545380216659308
Energy: 1.5454251603355702
Energy: 1.5252785365079158
Energy: 1.5454251603210265
Energy: 1.6500415975462317
Energy: 1.9320286004768994
Energy: 1.4643130006193323
Energy: 1.9320286004768994
Energy: 1.5799881784655494
Energy: 1.9530427527799101
Energy: 1.939534747357589
Energy: 1.953042752781029
Energy: 1.8575182874243907
Energy: 1.5171909831646984
Energy: 1.491306390588188
Energy: 1.517190983165817
Energy: 1.6811574775866458
Energy: 1.6504495590578325
Energy: 1.8720381106037873
Energy: 1.6504495590600696

minimum gb energy = 1.4058935474682954 eV
minimum distance =  2.27211007650138 Angstroms
sigma value = 7


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

Energy: 1.4949708731948061
Energy: 1.4977961006387384
Energy: 1.8277577002131054
Energy: 1.4977961006553506
Energy: 1.8164530168209188
Energy: 1.941190977340467
Energy: 1.5577117645409122
Energy: 1.9411909773120246
Energy: 1.6095564367190167
Energy: 1.7635746882182926
Energy: 1.6975510466089474
Energy: 1.7635746882159193
Energy: 1.4894472285594866
Energy: 1.6906238601711066
Energy: 1.5185357084972921
Energy: 1.6906238601703154
Energy: 1.4556553137714754
Energy: 1.5701757977676007
Energy: 1.5062486574789353
Energy: 1.570175797766019
Energy: 1.4922138259719542
Energy: 1.6669906322745829
Energy: 1.729534966612558
Energy: 1.6669906322737917
Energy: 1.7785115919897325
Energy: 2.0685651501685065
Energy: 1.4948517947835573
Energy: 2.068565150167716
Energy: 1.4874190266723024
Energy: 1.6662091686786236
Energy: 1.9764722606620289
Energy: 1.6662091684770082
Energy: 1.947745362963293
Energy: 1.565319808872086
Energy: 1.5670393521175192
Energy: 1.5653198088744598
Energy: 1.4599044259154408
Energy: 1.575625365440726
Energy: 1.6525829987701515
Energy: 1.5756253654328152
Energy: 1.6553543103219222
Energy: 1.834184589667914
Energy: 1.4501591634802296
Energy: 1.8341845896655409
Energy: 1.4998254808503055
Energy: 1.589651716561887
Energy: 1.5588380773469401
Energy: 1.5896517165658421
Energy: 1.5785943485947525
Energy: 1.5687152180948642
Energy: 1.504427359407475
Energy: 1.5687152180932822
Energy: 1.6941237537086513
Energy: 1.741218235557596
Energy: 1.4459961464114692
Energy: 1.741218235557596
Energy: 1.4462323198167553
Energy: 1.7165996504887784
Energy: 1.7829271573902057
Energy: 1.7165996504911516
Energy: 1.8394831253747812
Energy: 1.481829703230293
Energy: 1.4983372997435598
Energy: 1.4818297032279197
Energy: 1.5029893800380365
Energy: 1.6384102181800981
Energy: 1.6295072928724004
Energy: 1.638410218179307
Energy: 1.6059832575973805
Energy: 1.823835364234302
Energy: 1.4971532151574616
Energy: 1.8238353642382574
Energy: 1.5017236309361575
Energy: 1.7946457252647299
Energy: 1.5044036735116486
Energy: 1.7946457252291674
Energy: 1.4573227314754111
Energy: 1.532519203873522
Energy: 1.5042384644526126
Energy: 1.5325192038766864
Energy: 1.5004088603290218
Energy: 1.8146526361723536
Energy: 1.5195764843689084
Energy: 1.8146526361778912
Energy: 1.633495975931585
Energy: 1.7529921180050383
Energy: 1.746645296078185
Energy: 1.7529921180018742
Energy: 1.826546832342093
Energy: 1.9445589975664854
Energy: 1.435590002910807
Energy: 1.9445589975633215
Energy: 1.5003956621574213
Energy: 1.5086601924571825
Energy: 1.9231205836835348
Energy: 1.5086601923599523
Energy: 1.5315322101067814
Energy: 1.5694757803675174
Energy: 1.529053000590715
Energy: 1.5694757803683084
Energy: 1.4443497452654623
Energy: 1.7533232719597625
Energy: 1.6606193603750246
Energy: 1.7533232719542249
Energy: 1.5941321322127333
Energy: 1.6708448575244015
Energy: 1.5928889828136577
Energy: 1.6708448575236101
Energy: 1.4539711657962122
Energy: 1.6206974897521942
Energy: 1.5161881170617277
Energy: 1.620697489751403
Energy: 1.4826033349528476
Energy: 1.6670800048388346
Energy: 1.7059483381663831
Energy: 1.6670800048570291
Energy: 1.7709557343449858
Energy: 1.755314603070662
Energy: 1.5117186506958822
Energy: 1.7553146030785727
Energy: 1.4826058561809046
Energy: 1.6667571930374372
Energy: 1.7626418972575608
Energy: 1.6667571936905743

minimum gb energy = 1.435590002910807 eV
minimum distance =  2.29101902876672 Angstroms
sigma value = 29


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

Energy: 1.3553245716769722
Energy: 1.9919900662205776
Energy: 1.8315388226978706
Energy: 1.9919900662205776
Energy: 1.6731497298619358
Energy: 1.8380002100394113
Energy: 1.8000433838208787
Energy: 1.83800021003834
Energy: 1.250567879169885
Energy: 1.5719359097782273
Energy: 1.4711224746854883
Energy: 1.5719359097779517
Energy: 1.5099012611305753
Energy: 1.7440421787131462
Energy: 1.7992128069947422
Energy: 1.7440421787112788
Energy: 1.4436893012495684
Energy: 1.7445831883342622
Energy: 1.4708768994701433
Energy: 1.7445831883334664
Energy: 1.2535237039442695
Energy: 1.573813293005227
Energy: 1.2667736031940868
Energy: 1.5738132930055027
Energy: 1.4625259585585284
Energy: 1.7443381342572044
Energy: 1.4371070805924218
Energy: 1.7443381342582758
Energy: 1.7992955894476435
Energy: 1.7441373959191147
Energy: 1.5098813051016522
Energy: 1.7441373959185944
Energy: 1.577066579708145
Energy: 1.5720770291838844
Energy: 1.2507194841724114
Energy: 1.5720770291838844

minimum gb energy = 1.250567879169885 eV
minimum distance =  2.36085566782294 Angstroms
sigma value = 5


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

Energy: 1.4234221692057052
Energy: 1.4322708023408066
Energy: 1.7587513814923943
Energy: 1.432270802339312
Energy: 1.6818835979915827
Energy: 2.0210028765934833
Energy: 1.4172384768462298
Energy: 2.0210028765934833
Energy: 1.3935974811506522
Energy: 1.567617580885815
Energy: 1.7434534473784873
Energy: 1.5676175810531339
Energy: 1.4354829019449513
Energy: 1.485649147645705
Energy: 1.410553939607946
Energy: 1.4856491476449576
Energy: 1.3903963364525593
Energy: 1.9094746929712918
Energy: 1.659336546183852
Energy: 1.9094746929727864
Energy: 1.3984912554728826
Energy: 1.587405105803648
Energy: 1.3974355635051
Energy: 1.587405105802901
Energy: 1.3770938572435054
Energy: 1.496030433386697
Energy: 1.3565649671159532
Energy: 1.4960304333859495
Energy: 1.3681413779984606
Energy: 1.5506561000649361
Energy: 1.4717446762325066
Energy: 1.5506561002590884
Energy: 1.3913258273406774
Energy: 1.8882700193142619
Energy: 1.3437237342725146
Energy: 1.8882700193127675
Energy: 1.41338858212508
Energy: 1.4966454886965543
Energy: 1.4628998606338781
Energy: 1.4966454886965543
Energy: 1.3671260029143817
Energy: 1.7123533639314725
Energy: 1.370717841538054
Energy: 1.7123533639292308
Energy: 1.4179490759851414
Energy: 1.7836669175448265
Energy: 1.5881970027044823
Energy: 1.7836669175448265
Energy: 1.3711670925994088
Energy: 1.4332497230359784
Energy: 1.4388273438535146
Energy: 1.4332497230389676
Energy: 1.4163179698133916
Energy: 1.770109292706194
Energy: 1.4563373922258291
Energy: 1.7701092927069413
Energy: 1.8402796924581868
Energy: 1.9948018579292865
Energy: 1.3712416901999325
Energy: 1.9948018579300335
Energy: 1.4037161919650352
Energy: 1.421744441076537
Energy: 1.835002501390185
Energy: 1.4217444410772841
Energy: 1.7589849648598181
Energy: 1.7581473112511297
Energy: 1.3814728462317158
Energy: 1.758147311251877
Energy: 1.407811286875429
Energy: 1.5907189518985416
Energy: 1.7925321238541314
Energy: 1.5907189518985416
Energy: 1.5939264536966147
Energy: 1.4982040957162872
Energy: 1.3998439835592889
Energy: 1.49820409571554
Energy: 1.3711244222400072
Energy: 1.5762227712312054
Energy: 1.5213674277577778
Energy: 1.5762227719154256
Energy: 1.3376526360906167
Energy: 1.7180523617040535
Energy: 1.4109207058064692
Energy: 1.7180523617025587
Energy: 1.4364740587377998
Energy: 1.494133950594306
Energy: 1.4075315563631514
Energy: 1.4941339505950535
Energy: 1.377648392697969
Energy: 1.7537312051493674
Energy: 1.359998666760712
Energy: 1.753731205150862
Energy: 1.554258159631446
Energy: 1.440588050396755
Energy: 1.4648179288889989
Energy: 1.4405880504027329
Energy: 1.5607182593350633
Energy: 1.4268690827871584
Energy: 1.4622142752192306
Energy: 1.4268690827871584
Energy: 1.5268085286068356
Energy: 1.817491239613959
Energy: 1.4196571632934825
Energy: 1.8174912395997613
Energy: 1.4019883796149422
Energy: 1.7324535948045008
Energy: 1.3812600976616924
Energy: 1.7324535948030064
Energy: 1.6087861563494048
Energy: 1.4527660913648435
Energy: 1.4039169802264246
Energy: 1.4527660913693268
Energy: 1.3894694860334884
Energy: 2.0745834904733536
Energy: 1.9903528169986902
Energy: 2.074583490474848
Energy: 1.9289094032906784
Energy: 1.5878609372556272
Energy: 1.4081181680366455
Energy: 1.5878609372526382
Energy: 1.4005379983468633
Energy: 1.410344321233861
Energy: 1.9117710392954725
Energy: 1.4103443212346083
Energy: 1.659809206315812
Energy: 1.7950856495488288
Energy: 1.4033426047747213
Energy: 1.7950856495488288
Energy: 1.407629194403942
Energy: 1.7973634724074414
Energy: 1.3558431400587718
Energy: 1.7973634724089362

minimum gb energy = 1.3376526360906167 eV
minimum distance =  2.20179466253374 Angstroms
sigma value = 1


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

Energy: 1.3608418546634895
Energy: 1.3596273527198564
Energy: 1.6929630864946894
Energy: 1.3596273527188232
Energy: 1.7572334955586868
Energy: 2.0592268823719717
Energy: 1.3573378756361933
Energy: 2.0592268824153663
Energy: 1.3307050281035122
Energy: 1.5803317987690522
Energy: 1.8577168892808678
Energy: 1.5803317987700853
Energy: 1.590284005770696
Energy: 1.439684830889801
Energy: 1.3402237082459083
Energy: 1.4396848308908339
Energy: 1.3051505307395828
Energy: 1.787882428725556
Energy: 1.7467407566222688
Energy: 1.7878824287234893
Energy: 1.4792714216427703
Energy: 1.725915130390481
Energy: 1.3398365822907792
Energy: 1.7259151303884146
Energy: 1.3271738152044166
Energy: 1.4748792435730875
Energy: 1.362709070998452
Energy: 1.4748792435720544
Energy: 1.2920160969767163
Energy: 1.78275726800112
Energy: 1.3493209113618805
Energy: 1.7827572680042196
Energy: 1.5249547739197846
Energy: 1.363721268237435
Energy: 1.342585263403959
Energy: 1.363721268237435
Energy: 1.524783980449454
Energy: 1.3636747375926785
Energy: 1.3338211278118388
Energy: 1.3636747375916454
Energy: 1.2860098986250939
Energy: 1.5795846276164178
Energy: 1.3525446237736214
Energy: 1.5795846275864545
Energy: 1.3216812060730143
Energy: 1.4746851111615147
Energy: 1.3332538547025943
Energy: 1.4746851111615147
Energy: 1.479609475187254
Energy: 1.8200254292788036
Energy: 1.339803525760195
Energy: 1.820025429275704
Energy: 1.3040061571107149
Energy: 1.7875305446023575
Energy: 1.6486366189101513
Energy: 1.7875305446064904
Energy: 1.592407613143604
Energy: 1.4397516879514087
Energy: 1.33996373018332
Energy: 1.4397516879524423
Energy: 1.330694924459197
Energy: 1.5801664283951018
Energy: 1.5182947495170784
Energy: 1.5801664283951018
Energy: 1.5438566683232542
Energy: 2.0672654649955
Energy: 1.3574299975930568
Energy: 2.0672654649965327
Energy: 1.3608418546634895
Energy: 1.3596273527219227
Energy: 1.5450169733734789
Energy: 1.3596273527198564
Energy: 1.757233495564886
Energy: 2.059226882089012
Energy: 1.3573378756361933
Energy: 2.0592268820776463
Energy: 1.3307050281045452
Energy: 1.5803317987690522
Energy: 1.9233465128839091
Energy: 1.5803317987680188
Energy: 1.5902840057686296
Energy: 1.439684830889801
Energy: 1.340223708244875
Energy: 1.4396848308908339
Energy: 1.3051505307395828
Energy: 1.787882428725556
Energy: 1.7446559268536712
Energy: 1.787882428726589
Energy: 1.4792714216438034
Energy: 1.7259151303213027
Energy: 1.3398365822907792
Energy: 1.7259151303254354
Energy: 1.3271738152033832
Energy: 1.4748792435720544
Energy: 1.3548887232874218
Energy: 1.4748792435720544

minimum gb energy = 1.2860098986250939 eV
minimum distance =  2.32392966107929 Angstroms
sigma value = 17


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

Energy: 1.3310015071797332
Energy: 1.3303519229375662
Energy: 1.5335165270328421
Energy: 1.3303519229407592
Energy: 1.3865395571864978
Energy: 1.5798290652747617
Energy: 1.3194074396293327
Energy: 1.579829065276039
Energy: 1.3080488827573664
Energy: 1.4581139416947326
Energy: 1.658697979884814
Energy: 1.458113941692817
Energy: 1.5370698465229793
Energy: 1.5228094069706917
Energy: 1.294470812862275
Energy: 1.5228094070032607
Energy: 1.276987215936028
Energy: 1.8923404495965892
Energy: 1.6640549125922686
Energy: 1.8923404495959506
Energy: 1.2867041754207122
Energy: 1.9192927110681177
Energy: 1.317351560848474
Energy: 1.9192927110687565
Energy: 1.313631998345096
Energy: 1.6429297854673413
Energy: 1.3615473682009733
Energy: 1.6429297854705343
Energy: 1.2965318794092258
Energy: 1.6480934005136192
Energy: 1.3074348548976205
Energy: 1.6480934005148964
Energy: 1.4373154590204242
Energy: 1.730862874804441
Energy: 1.3305449645333904
Energy: 1.7308628748050796
Energy: 1.4368477170614091
Energy: 1.887227693485517
Energy: 1.311563824293106
Energy: 1.8872276934861556
Energy: 1.3150954211605215
Energy: 1.770186179225358
Energy: 1.2969615770166838
Energy: 1.7701861792279123
Energy: 1.314681993081375
Energy: 1.3790698850661163
Energy: 1.3094862002074432
Energy: 1.3790698850654777
Energy: 1.2945271033841501
Energy: 1.850658737701703
Energy: 1.31508322757914
Energy: 1.8506587376985097
Energy: 1.307269143698521
Energy: 1.7450282790359155
Energy: 1.470461562107562
Energy: 1.7450282790333609
Energy: 1.3579024642076525
Energy: 1.7757862043304722
Energy: 1.3380232304949833
Energy: 1.775786204342606
Energy: 1.3075692172895657
Energy: 1.70145244545093
Energy: 1.6631969596960094
Energy: 1.701452445454762
Energy: 1.3491122425296047
Energy: 1.7122477932476712
Energy: 1.3147357986576331
Energy: 1.7122477932470326
Energy: 1.2870334452604564
Energy: 1.4743122159152982
Energy: 1.7498263666475367
Energy: 1.4743122159121054
Energy: 1.7009891821267757
Energy: 1.9877781531473309
Energy: 1.314147631273223
Energy: 1.9877781531479695
Energy: 1.3046150413372286
Energy: 1.3157262032391897
Energy: 1.8188120562340977
Energy: 1.3157262032391897
Energy: 1.3703534477145638
Energy: 1.5367503563808136
Energy: 1.3119409026441866
Energy: 1.5367503530857698
Energy: 1.3121242202333558
Energy: 1.7830466078504712
Energy: 1.6148523816803346
Energy: 1.7830466078485552
Energy: 1.6700603651208028
Energy: 1.536828364703745
Energy: 1.3086085179470517
Energy: 1.536828125467329
Energy: 1.312248413114886
Energy: 1.8268513994148017
Energy: 1.6568470966100854
Energy: 1.8268513994167173
Energy: 1.5735220764893108
Energy: 1.4729307335899622
Energy: 1.2986718692795978
Energy: 1.4729307335893238
Energy: 1.3112873442780761
Energy: 1.4053843110994297
Energy: 1.3328871380159062
Energy: 1.4053843111045385
Energy: 1.4829881397171725
Energy: 1.8112549116356862
Energy: 1.3141990465262543
Energy: 1.8112549116395178
Energy: 1.4432065638326144
Energy: 1.9517690306704545
Energy: 1.3407114932426987
Energy: 1.9517690306698159
Energy: 1.4556972023951402
Energy: 1.7640817119058143
Energy: 1.3107043594642744
Energy: 1.7640817119070917
Energy: 1.3134091193040642
Energy: 1.8381535215846558
Energy: 1.3312988351608301
Energy: 1.838153521584017
Energy: 1.2979559428530112
Energy: 1.4029666424992855
Energy: 1.316139684384174
Energy: 1.402966642499924
Energy: 1.3089155913266084
Energy: 1.7702570552166055
Energy: 1.2971106579837866
Energy: 1.7702570552159669
Energy: 1.309542986413045
Energy: 1.8208083461835451
Energy: 1.522190055193372
Energy: 1.820808346184184
Energy: 1.3338469524724204
Energy: 1.7304743604419845
Energy: 1.3214403115149154
Energy: 1.7304743604400685
Energy: 1.3052970645860404
Energy: 1.7144105937239955
Energy: 1.4327420338882717
Energy: 1.7144105965645242
Energy: 1.3726023269420682
Energy: 1.7596995993275137
Energy: 1.311629455937873
Energy: 1.7596995993262365
Energy: 1.3156693500896344
Energy: 1.8864826152088787
Energy: 1.3066667817439628
Energy: 1.8864826152146261
Energy: 1.6661104770635669
Energy: 1.7656413275906067
Energy: 1.3141177238781925
Energy: 1.7656413275950766

minimum gb energy = 1.276987215936028 eV
minimum distance =  2.22709950467576 Angstroms
sigma value = 89


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

Energy: 1.1695460242271476
Energy: 1.169171028697755
Energy: 1.7523593807272502
Energy: 1.1691710286994261
Energy: 1.1722912773452556
Energy: 1.2070754370291126
Energy: 1.199243730942878
Energy: 1.2070754370307835
Energy: 1.1828396772091028
Energy: 1.8981752000820344
Energy: 1.9789624207762586
Energy: 1.8981752000820344
Energy: 1.5505295371685812
Energy: 1.2074432400116957
Energy: 1.1991778858047302
Energy: 1.2074432400116957
Energy: 1.1975956109659331
Energy: 1.6327945117764773
Energy: 1.6277151346221495
Energy: 1.6327945117748064
Energy: 1.1965012527206078
Energy: 1.169641454671774
Energy: 1.172829678447591
Energy: 1.169641454671774
Energy: 1.1832166357668334
Energy: 1.3673170287655023
Energy: 1.1711726611514082
Energy: 1.3673170287655023
Energy: 1.1830490099235007
Energy: 1.7966182309055316
Energy: 1.1978838524577125
Energy: 1.7966182309055316
Energy: 1.197883625278976
Energy: 1.2775282491031563
Energy: 1.2491348906903716
Energy: 1.2775282491031563
Energy: 1.2067026089789072
Energy: 1.7100604220427242
Energy: 1.1972508964240527
Energy: 1.710060422054421
Energy: 1.1688678885268242
Energy: 1.2080334819894627
Energy: 1.1975971583249732
Energy: 1.2080334819894627
Energy: 1.1690025954249843
Energy: 1.3691582095709434
Energy: 1.1987223187277232
Energy: 1.3691582095709434
Energy: 1.197782371955493
Energy: 1.711640704387771
Energy: 1.1951384696602814
Energy: 1.711640704387771
Energy: 1.182597395735086
Energy: 1.2743218940628565
Energy: 1.1971469722740447
Energy: 1.2743218940628565
Energy: 1.1711283550819476
Energy: 1.711615947596392
Energy: 1.1985927601168151
Energy: 1.711615947596392

minimum gb energy = 1.1688678885268242 eV
minimum distance =  2.29348223533619 Angstroms
sigma value = 13


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

Energy: 1.1404826393533973
Energy: 1.5778640203676264
Energy: 1.4116683496705875
Energy: 1.5778640203669263
Energy: 1.5637066381318279
Energy: 1.6011586059117715
Energy: 1.093815021373177
Energy: 1.6011586059173744
Energy: 1.106180048005145
Energy: 1.6133257310618596
Energy: 1.6432948457788856
Energy: 1.6133257269197498
Energy: 1.685051296128548
Energy: 1.601636724706252
Energy: 1.0908431248282584
Energy: 1.6016367247055514
Energy: 1.11321184835868
Energy: 1.880305450190699
Energy: 1.1563612073420086
Energy: 1.8803054501920997
Energy: 1.0964614669387316
Energy: 1.3655046966688476
Energy: 1.1152139668296877
Energy: 1.365504696667447
Energy: 1.1118332498542887
Energy: 1.837264488427874
Energy: 1.74820199956632
Energy: 1.8372644884250724
Energy: 1.0867439989138235
Energy: 1.6822052150091484
Energy: 1.1153916326535611
Energy: 1.682205215002145
Energy: 1.1112055683838769
Energy: 1.7072765781640906
Energy: 1.5294159681526796
Energy: 1.7072765781633903
Energy: 1.3635203793845048
Energy: 1.902022400484978
Energy: 1.0900829942408674
Energy: 1.9020224004877795
Energy: 1.1112183411261378
Energy: 1.4213516031991256
Energy: 1.243173554335067
Energy: 1.421351603199826
Energy: 1.6404244080306127
Energy: 1.8680282316287284
Energy: 1.0991402892578443
Energy: 1.8680282316266275
Energy: 1.1507277435615584
Energy: 1.6111262629492389
Energy: 1.141354870177639
Energy: 1.6111262629576433
Energy: 1.6974538999848312
Energy: 1.6707121045820286
Energy: 1.0971520155252106
Energy: 1.6707121045841296
Energy: 1.1134867575919412
Energy: 1.7031138755767234
Energy: 1.2120247133413875
Energy: 1.7031138755746222
Energy: 1.1233244266479736
Energy: 1.437573774367735
Energy: 1.1012089348414034
Energy: 1.437573774371237
Energy: 1.2244470732649764
Energy: 1.837625089548623
Energy: 1.0966199712071654
Energy: 1.837625089548623
Energy: 1.1341025520926455
Energy: 1.6811415472850173
Energy: 1.2389570616996075
Energy: 1.6811415472976234
Energy: 1.1159945571471253
Energy: 1.8870260061942465
Energy: 1.231394451344441
Energy: 1.8870260061914448
Energy: 1.1159479959303795
Energy: 1.8866111492393804
Energy: 1.1243968339550405
Energy: 1.8866111492358788
Energy: 1.1343815578683984
Energy: 1.6761560181035993
Energy: 1.2344932240685043
Energy: 1.6761560181035993
Energy: 1.2242374460724892
Energy: 1.8363911576499021
Energy: 1.096681166288302
Energy: 1.8363911576499021
Energy: 1.123832412449349
Energy: 1.4377757777092082
Energy: 1.0997923265574603
Energy: 1.4377757777057067
Energy: 1.1120924827133942
Energy: 1.6934622590490145
Energy: 1.2769323652391629
Energy: 1.693462259048314
Energy: 1.6970948313200764
Energy: 1.659497668993999
Energy: 1.0978978289720847
Energy: 1.6594976689932988
Energy: 1.1538327699354278
Energy: 1.635648449330726
Energy: 1.1257082562198801
Energy: 1.6356484493335273
Energy: 1.6411179977014763
Energy: 1.872111992773278
Energy: 1.0999253118898262
Energy: 1.8721119927697762
Energy: 1.1115276934975764
Energy: 1.4205703901395148
Energy: 1.0964569934335682
Energy: 1.4205703901374138
Energy: 1.369092849623515
Energy: 1.86292436850967
Energy: 1.089952482601785
Energy: 1.862924368511771
Energy: 1.1118683519571206
Energy: 1.7078523704675856
Energy: 1.4691717409796903
Energy: 1.7078523704689863
Energy: 1.0875990450398523
Energy: 1.6915537812437442
Energy: 1.1153591205676558
Energy: 1.6915537812444448
Energy: 1.1107788403589907
Energy: 1.8506405517232367
Energy: 1.651091935904066
Energy: 1.8506405517246374
Energy: 1.0924871931284053
Energy: 1.3657013359746815
Energy: 1.1153411576794785
Energy: 1.3657013359739811
Energy: 1.111606761749512
Energy: 1.8770942343673511
Energy: 1.589844202591408
Energy: 1.8770942343714896
Energy: 1.6997591967866068
Energy: 1.6016193384927906
Energy: 1.091232186391062
Energy: 1.601619338493491

minimum gb energy = 1.0867439989138235 eV
minimum distance =  2.30361730243496 Angstroms
sigma value = 37


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

Energy: 1.0422269326283222
Energy: 1.0410879132319582
Energy: 1.3081911209538502
Energy: 1.0410879132319582
Energy: 1.0949888095550353
Energy: 1.5016009352424802
Energy: 0.9971963358853008
Energy: 1.5016009352424802
Energy: 1.0064646251393463
Energy: 1.8519803273897244
Energy: 1.7276414072410886
Energy: 1.8519803273873146
Energy: 1.396192066257201
Energy: 1.472675079942308
Energy: 0.9970026499971149
Energy: 1.4726750799459227
Energy: 0.9919982900939744
Energy: 1.4474696404952518
Energy: 1.398041637541298
Energy: 1.447469640496457
Energy: 1.0279184780596258
Energy: 1.5014363685227576
Energy: 0.9883014165875332
Energy: 1.5014363685215526
Energy: 1.0275893557345852
Energy: 1.8569372113281695
Energy: 1.0936246222809913
Energy: 1.856937211329374
Energy: 1.0038837464132764
Energy: 1.042308961855576
Energy: 1.0439209166490906
Energy: 1.042308961855576
Energy: 0.9923826210004012
Energy: 1.5005955644529365
Energy: 1.4598847448214427
Energy: 1.5005955644517317
Energy: 1.4624985721941954
Energy: 1.8789504922132831
Energy: 0.9872116267401149
Energy: 1.878950492214488
Energy: 1.021606698726744
Energy: 1.8331569500628875
Energy: 0.9982773516089334
Energy: 1.8331569500592726
Energy: 1.8267273070224925
Energy: 1.4691837874157494
Energy: 0.9970558196642053
Energy: 1.4691837874157494
Energy: 0.9850565129555341
Energy: 1.5010801526139477
Energy: 1.2104969794922378
Energy: 1.5010801526139477
Energy: 1.5554668824465094
Energy: 1.9319128874107714
Energy: 1.1790932692663867
Energy: 1.9319128874107714
Energy: 1.0408424329448958
Energy: 1.0914521122224015
Energy: 0.9960803993277034
Energy: 1.0914521122211964
Energy: 1.2311120551119668
Energy: 1.5005700966914484
Energy: 0.9972369972283329
Energy: 1.5005700966914484
Energy: 0.985096359543044
Energy: 1.8485604285819148
Energy: 1.0030645394683761
Energy: 1.8485604285819148
Energy: 1.1844832951790325
Energy: 1.9375774743084233
Energy: 1.179481379414792
Energy: 1.937577474309628
Energy: 1.1800287167641368
Energy: 1.4702719221793497
Energy: 0.9957250989118704
Energy: 1.4702719221793497
Energy: 1.1869724192222835
Energy: 1.4890417671406468
Energy: 0.9975903219786535
Energy: 1.4890417671406468

minimum gb energy = 0.9850565129555341 eV
minimum distance =  2.32556989318314 Angstroms
sigma value = 25


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

Energy: 0.9486149074383182
Energy: 1.522171541916515
Energy: 1.4011755309356755
Energy: 1.5221715419174555
Energy: 1.2423181864804986
Energy: 1.5251024336455652
Energy: 0.8976130751091703
Energy: 1.5251024351606497
Energy: 0.8928021678161677
Energy: 0.8926186702545328
Energy: 1.6655045180659018
Energy: 0.8926186702535918
Energy: 0.9377278317762577
Energy: 1.5379646136472542
Energy: 0.8976632563361792
Energy: 1.5379646137883018
Energy: 0.8977711948906513
Energy: 1.5365712823917432
Energy: 1.275297136722694
Energy: 1.5365712823908024
Energy: 1.2770755793089914
Energy: 1.5238598691551086
Energy: 0.8986842641462224
Energy: 1.5238598691532268
Energy: 1.0080798818073284
Energy: 1.201488717746242
Energy: 0.9375654857851109
Energy: 1.201488717814884
Energy: 1.2310948980169434
Energy: 1.2409535865582477
Energy: 0.8945946366348209
Energy: 1.2409535865573067
Energy: 0.8989780997156036
Energy: 1.534311223016123
Energy: 1.242858754726178
Energy: 1.5343112228195632
Energy: 0.8738655049937354
Energy: 1.5310456633588718
Energy: 0.9494395216023013
Energy: 1.5310456633588718
Energy: 0.9021319592874858
Energy: 1.201987151068041
Energy: 1.2435874222124457
Energy: 1.2019871510642777
Energy: 1.584429342007584
Energy: 1.6468726326446117
Energy: 0.8946293675538932
Energy: 1.6468726326455527
Energy: 0.8983272438929129
Energy: 1.5349624136270519
Energy: 1.196348056862394
Energy: 1.5349624136289337
Energy: 1.6276372991581929
Energy: 1.6098200101064166
Energy: 0.8972571132525977
Energy: 1.6098200101082982
Energy: 1.0421551258261315
Energy: 1.2031442466516802
Energy: 0.8692268096894004
Energy: 1.203144246646035
Energy: 1.358874922460947
Energy: 1.6439915710301982
Energy: 1.044329462213082
Energy: 1.6439915710301982
Energy: 0.8989843858334374
Energy: 1.2408978263485535
Energy: 1.0846201930676787
Energy: 1.2408978263466717
Energy: 1.343543616235189
Energy: 1.5725369523877184
Energy: 0.8976730672513477
Energy: 1.572536952390541
Energy: 0.9543409099064978
Energy: 1.5023150505134086
Energy: 0.8743486998172754
Energy: 1.5023150505152905
Energy: 1.6290988960882438
Energy: 1.6327951964604317
Energy: 1.043854676455235
Energy: 1.6327951964604317
Energy: 0.8990442920731373
Energy: 1.6438429087195248
Energy: 0.8725067600943589
Energy: 1.6438429087195248
Energy: 1.0444610762314168
Energy: 1.5185165095292894
Energy: 0.8970771481164113
Energy: 1.5185165095443438
Energy: 1.0424001872489268
Energy: 1.6261169235672375
Energy: 1.2325255523519048
Energy: 1.6261169235672375
Energy: 0.8696914308281616
Energy: 1.6332005477224412
Energy: 1.0453764643702625
Energy: 1.6332005477205596
Energy: 0.9008897938579484
Energy: 1.6436766744274023
Energy: 1.3625720214447046
Energy: 1.6436766744283429
Energy: 0.8721106238807778
Energy: 1.2355543330716916
Energy: 0.8924374744784577
Energy: 1.2355543330726322

minimum gb energy = 0.8692268096894004 eV
minimum distance =  2.3010464621893 Angstroms
sigma value = 41


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

Energy: 1.311515238916104
Energy: 1.3114211957275643
Energy: 1.1416956674448124
Energy: 1.3114211957298787
Energy: 1.570692567049236
Energy: 1.318727006197022
Energy: 0.7976582645703248
Energy: 1.3187270062008787
Energy: 0.8244410858788781
Energy: 1.2970320688133912
Energy: 1.5610784604714227
Energy: 1.2970320688172483
Energy: 1.079531145862476
Energy: 1.3929321999720523
Energy: 0.7971997877770042
Energy: 1.3929321999728235
Energy: 0.7929994590571507
Energy: 1.3284109339527024
Energy: 0.8819298877871684
Energy: 1.3284109339503882
Energy: 0.8290563865960111
Energy: 1.3320515011611747
Energy: 0.7976199159631868
Energy: 1.3320515011642249
Energy: 0.796849400388942
Energy: 1.3209344878636173
Energy: 0.8295807246525256
Energy: 1.3209344878643887
Energy: 1.1898018939027604
Energy: 1.0685889740029864
Energy: 0.7939640492498935
Energy: 1.0685889739991294
Energy: 0.7990156403794307
Energy: 1.4202857682645678
Energy: 1.4344900322570777
Energy: 1.4202857682622536
Energy: 1.160478149255299
Energy: 1.3374424671381135
Energy: 0.8296357550587505
Energy: 1.3374424671365706
Energy: 0.796728939172703
Energy: 1.3109544728817257
Energy: 1.5715493098370235
Energy: 1.310954472935687
Energy: 0.7838583924864164
Energy: 1.3118605393143767
Energy: 1.312398246260241
Energy: 1.3118605393143767
Energy: 0.7989459117797701
Energy: 1.4232506068236912
Energy: 1.6794243950032977
Energy: 1.4232506068213768
Energy: 1.482686917347954
Energy: 1.5133403027735084
Energy: 0.8254388839589029
Energy: 1.5133403027719656
Energy: 0.7969303223285404
Energy: 1.3241887993416608
Energy: 1.0807001815097212
Energy: 1.3241887993424322
Energy: 1.483864831173076
Energy: 1.3496951358835303
Energy: 0.7938470719881993
Energy: 1.349695135881216
Energy: 0.7998381324115945
Energy: 1.4223059706311854
Energy: 1.181640639367391
Energy: 1.422305970630414
Energy: 1.2004136635516796
Energy: 1.5161930676333113
Energy: 0.8809277434612035
Energy: 1.5161930676333113
Energy: 0.7964504058753128
Energy: 1.0684502866971097
Energy: 0.7899035407712597
Energy: 1.0684502866971097
Energy: 1.2100902585372983
Energy: 1.4198054142514296
Energy: 0.8027922977881357
Energy: 1.419805414252972
Energy: 0.8329533703166621
Energy: 1.513473069608532
Energy: 0.7755742961348484
Energy: 1.513473069608532
Energy: 1.6282458262580572
Energy: 1.5924716070703169
Energy: 0.797629088606767
Energy: 1.5924716070695455
Energy: 1.3152567629696035
Energy: 1.3132283771269928
Energy: 0.7822781850594624
Energy: 1.3132283771269928
Energy: 1.4138069024749889
Energy: 1.4220866502515956
Energy: 0.8020828771566504
Energy: 1.4220866502523672
Energy: 0.8276254024910662
Energy: 1.5112378203468446
Energy: 0.7821386252859205
Energy: 1.5112378203460732
Energy: 1.4090967758466388
Energy: 1.5222627947065792
Energy: 0.7973017565063475
Energy: 1.5222627947088934
Energy: 0.7964566499531552
Energy: 1.4197772240467603
Energy: 1.091476074033928
Energy: 1.4197772240467603
Energy: 0.7993450300407615
Energy: 1.4234349660508547
Energy: 0.8030612950166396
Energy: 1.423434966049312
Energy: 0.7988994302524001
Energy: 1.5110742254315621
Energy: 1.2119449636845903
Energy: 1.5110742254315621
Energy: 0.7792872190810569
Energy: 1.4573908535832243
Energy: 0.8002715693976494
Energy: 1.4573908535793672
Energy: 0.8040430471217055
Energy: 1.4200001020621424
Energy: 1.2171510686976112
Energy: 1.420000102062914
Energy: 0.7837242922640785
Energy: 1.4772288307860733
Energy: 0.829882655836421
Energy: 1.477228830789159

minimum gb energy = 0.7755742961348484 eV
minimum distance =  2.30201973076629 Angstroms
sigma value = 15


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

Energy: 1.17529335181683
Energy: 1.3601267466383977
Energy: 1.4593958606945712
Energy: 1.360126746639051
Energy: 1.3712368392211272
Energy: 1.281502401398191
Energy: 0.7418786036956411
Energy: 1.2815024013949237
Energy: 0.7682101154816688
Energy: 1.1894527196205738
Energy: 1.497064475583926
Energy: 1.1894527196473654
Energy: 1.166410480174585
Energy: 1.3690195772552467
Energy: 0.8095606526240781
Energy: 1.3690195772545932
Energy: 0.7434634829942012
Energy: 1.518496630564669
Energy: 0.7528617861621977
Energy: 1.5184966305672827
Energy: 0.9599711837093371
Energy: 1.281103193218527
Energy: 0.7436818728463506
Energy: 1.2811031932034975
Energy: 0.7424947243492557
Energy: 1.188215726757584
Energy: 0.750013494816589
Energy: 1.1882157264244968
Energy: 0.7496482589647487
Energy: 1.1893039316135938
Energy: 0.7417496109108592
Energy: 1.1893039316175147
Energy: 0.8103247969596865
Energy: 1.4591979993951572
Energy: 0.9585763666169032
Energy: 1.4591979993938502
Energy: 1.1266498746944054
Energy: 1.426092571035998
Energy: 0.740634536313339
Energy: 1.426092571035998
Energy: 0.7416097153888839
Energy: 1.2754852367969345
Energy: 1.413005757755108
Energy: 1.2754852368002019
Energy: 1.546304841937355
Energy: 1.2763877305097198
Energy: 0.7698689175453115
Energy: 1.2763877305110267
Energy: 0.8097799515431029
Energy: 1.3690012413804047
Energy: 1.5921511307605194
Energy: 1.3690012413810582
Energy: 1.200766616087494
Energy: 1.4086783114844552
Energy: 1.1756448948337606
Energy: 1.4086783114870094
Energy: 0.7417992565843747
Energy: 1.283679239876624
Energy: 1.6198359834011387
Energy: 1.2836792398720498
Energy: 1.3408759982727039
Energy: 1.213048888426474
Energy: 0.7693504032455496
Energy: 1.2130488884284343
Energy: 0.809479056803926
Energy: 1.3682998943596567
Energy: 1.167578102191206
Energy: 1.3682998943596567
Energy: 1.3785179021877996
Energy: 1.4195197502998014
Energy: 0.7405630670348513
Energy: 1.419519750301108
Energy: 0.741957498035766
Energy: 1.2843208103849697
Energy: 0.9596791684836581
Energy: 1.2843208103849697
Energy: 0.7523711046908755
Energy: 1.2793847140394938
Energy: 0.7417125041653135
Energy: 1.2793847140401473
Energy: 0.8097672618114976
Energy: 1.2866956217465273
Energy: 0.7515096243281982
Energy: 1.2866956217465273
Energy: 1.074314542509572
Energy: 1.4174667346810235
Energy: 0.7454526953147711
Energy: 1.4174667346764493
Energy: 0.7412757801478707
Energy: 1.347766029967836
Energy: 0.7127048866913304
Energy: 1.3477660299684895
Energy: 1.487650269871307
Energy: 1.269708358171753
Energy: 0.7424748395024436
Energy: 1.2697083581782878
Energy: 0.770874346377634
Energy: 1.3548185425700852
Energy: 0.7130254127151482
Energy: 1.3548185425681245
Energy: 1.4353732049519559
Energy: 1.4176774706636723
Energy: 0.8120282320928587
Energy: 1.4176774706649793
Energy: 1.177305523511955
Energy: 1.3580250525990878
Energy: 0.7064859355906044
Energy: 1.3580250526010482
Energy: 1.5222097491315885
Energy: 1.2810457561170046
Energy: 0.7421199243252089
Energy: 1.2810457561150443
Energy: 0.7720157548031874
Energy: 1.4856075811931768
Energy: 0.7088958913551736
Energy: 1.4856075811925233
Energy: 1.2415399840734456
Energy: 1.3663490086310603
Energy: 0.8116056065218669
Energy: 1.3663490086304069
Energy: 0.7414611770215833
Energy: 1.3689053139449745
Energy: 0.9877052535707798
Energy: 1.3689053139443208
Energy: 1.249023966139169
Energy: 1.281978047593996
Energy: 0.7423480648606505
Energy: 1.2819780475926892
Energy: 0.8097409350507093
Energy: 1.4913669818183402
Energy: 1.0874213638470138
Energy: 1.4913669818183402
Energy: 0.7233892594503544
Energy: 1.2871779239450118
Energy: 0.8117396266141705
Energy: 1.2871779239443586
Energy: 0.7323250519819081
Energy: 1.368693454198077
Energy: 1.0931858602244395
Energy: 1.368693454198077
Energy: 0.7116434408590754
Energy: 1.3466298834512567
Energy: 0.8127970274223919
Energy: 1.3466298834525638
Energy: 0.7433936268947261
Energy: 1.4818634174962233
Energy: 1.4130556937358825
Energy: 1.481863417492956

minimum gb energy = 0.7064859355906044 eV
minimum distance =  2.18067044531275 Angstroms
sigma value = 85


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

Energy: 1.0953340825982394
Energy: 1.2501474878041394
Energy: 1.001254277966453
Energy: 1.250147487805273
Energy: 1.4101782943679646
Energy: 1.1600400353711162
Energy: 0.7336566448767118
Energy: 1.1600400353728162
Energy: 1.0548995422515504
Energy: 1.0560590442475484
Energy: 1.384097594225143
Energy: 1.056059044248115
Energy: 1.238327848811804
Energy: 1.1599449703593
Energy: 0.7331990094337951
Energy: 1.1599449703558997
Energy: 0.8235951372415132
Energy: 1.0635654616379902
Energy: 1.0446107723736917
Energy: 1.0635654616402572
Energy: 1.284166016003495
Energy: 1.2271089551729546
Energy: 0.7333864206252845
Energy: 1.2271089552148682
Energy: 0.6794826194952285
Energy: 1.0748900907722405
Energy: 0.7041367890200596
Energy: 1.0748900907694066
Energy: 0.8842981591708655
Energy: 1.188650949219491
Energy: 0.7892429301514677
Energy: 1.188650949221191
Energy: 0.7871239347490302
Energy: 1.061397704884585
Energy: 0.8846517456951408
Energy: 1.0613977048857186
Energy: 0.7024832842329528
Energy: 1.0740229360019773
Energy: 0.6797130414952973
Energy: 1.0740229360036775
Energy: 0.7338070470775894
Energy: 1.1594510396962616
Energy: 1.0668319487075537
Energy: 1.1594510395121458
Energy: 1.045097472113591
Energy: 1.301924576124516
Energy: 0.7700140900285154
Energy: 1.3019245761273497
Energy: 0.7344096022046404
Energy: 1.0857598143746918
Energy: 1.4221795594335824
Energy: 1.0857598143752587
Energy: 1.447948893094991
Energy: 1.0552575479731983
Energy: 1.0561144665679987
Energy: 1.0552575479737651
Energy: 0.7340438545288779
Energy: 1.1670940804126302
Energy: 1.4122109629559958
Energy: 1.1670940804114966
Energy: 0.6240072286868162
Energy: 1.4385505123731435
Energy: 1.0994114637850245
Energy: 1.4385505123737101
Energy: 0.6796870528786438
Energy: 1.0613607946139505
Energy: 1.6174393127030477
Energy: 1.0613607946139505
Energy: 1.2559146263385463
Energy: 1.0555085488680267
Energy: 1.0562631880231323
Energy: 1.0555085488668932
Energy: 0.7351286592054138
Energy: 1.1674819954550886
Energy: 1.4650623022324532
Energy: 1.1674819954550886
Energy: 1.282469568330066
Energy: 1.3468152857955862
Energy: 0.7700282507211659
Energy: 1.3468152857944529
Energy: 0.733253412205282
Energy: 1.0864760356172274
Energy: 1.2883793419114435
Energy: 1.0864760356172274
Energy: 0.7048437464968074
Energy: 1.0871906725451312
Energy: 0.6777959278903143
Energy: 1.087190672545698
Energy: 0.7340632928783466
Energy: 1.166896774809731
Energy: 1.3168167072607913
Energy: 1.1668967748102979
Energy: 0.7322233473931722
Energy: 1.3948005360262046
Energy: 0.7888942168620451
Energy: 1.39480053604094
Energy: 0.6794771752215513
Energy: 0.8858234781361818
Energy: 0.7045346319861915
Energy: 0.8858234781384487
Energy: 1.3037636061961384
Energy: 1.161831954450765
Energy: 0.7346998747360964
Energy: 1.1618319544535989
Energy: 0.7180759245291817
Energy: 1.2368139699449756
Energy: 1.0449147739018705
Energy: 1.236813969944409
Energy: 1.3185117254465377
Energy: 1.2710363956612427
Energy: 0.6800474839656906
Energy: 1.271036395660676
Energy: 1.111978699436077
Energy: 1.0564377923334038
Energy: 0.6225847636511042
Energy: 1.056437792333971
Energy: 1.644908578126507
Energy: 1.167098078244144
Energy: 0.6817378541319705
Energy: 1.1670980782452778
Energy: 1.0991005375585978
Energy: 1.319737612857679
Energy: 0.6252909097651731
Energy: 1.319737612857112
Energy: 1.4536324708501818
Energy: 1.2708948710839318
Energy: 0.6810876349581779
Energy: 1.2708948710822314
Energy: 1.0574820160471368
Energy: 1.0570834628941677
Energy: 0.6236444901146125
Energy: 1.0570834628936008
Energy: 1.4616995665160142
Energy: 1.1663931051349565
Energy: 0.7360070712868437
Energy: 1.1663931051360903
Energy: 0.7704478037098981
Energy: 1.3557428314090203
Energy: 1.2677488681832567
Energy: 1.3557428314090203
Energy: 1.1021400651413291
Energy: 1.269717175310635
Energy: 0.6804576614607288
Energy: 1.2697171753095018
Energy: 0.7335426952863076
Energy: 1.161484632029019
Energy: 0.8660888722808059
Energy: 1.161484632029019
Energy: 1.0881792003304789
Energy: 1.1667349470566815
Energy: 0.7360597864755412
Energy: 1.1667349470561144
Energy: 0.7339933628401201
Energy: 1.26781032498987
Energy: 0.9423825416575929
Energy: 1.2678103249932706
Energy: 0.6441371988407901
Energy: 1.2068334376511285
Energy: 0.7358006368689861
Energy: 1.2068334376386598
Energy: 0.7926538611780485
Energy: 1.1619474451919425
Energy: 1.3027597383347231
Energy: 1.1619474451942096
Energy: 0.6230048274144355
Energy: 1.2361850783564474
Energy: 0.7203618793405605
Energy: 1.2361850783553137
Energy: 0.6811500630635365
Energy: 1.356293429048558
Energy: 1.3193600665024086
Energy: 1.356293429049691

minimum gb energy = 0.6225847636511042 eV
minimum distance =  2.18512797505798 Angstroms
sigma value = 113


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

Energy: 0.01784666041124012
Energy: 0.01948275917030169
Energy: 0.8217645039304754
Energy: 0.01948275916947873
Energy: 0.8200899608004002
Energy: 2.403178989798371
Energy: 3.6311136152390504
Energy: 2.4031789897992177
Energy: 0.01784666041085284
Energy: 0.019482759170737378
Energy: 0.8217645669468884
Energy: 0.01948275917117306
Energy: 0.8200899607995288
Energy: 2.4031789897992177
Energy: 3.6311136152386148
Energy: 2.4031789897992177
Energy: 0.01784666041085284
Energy: 0.019482759170737378
Energy: 0.8217650250729723
Energy: 0.01948275917030169
Energy: 0.8200899608004002
Energy: 2.4031789897992177
Energy: 3.6311136152386148
Energy: 2.4031789897992177

minimum gb energy = 0.01784666041085284 eV
minimum distance =  2.55139322720837 Angstroms
sigma value = 1