Model name: model_name=Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_004
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=3.6111526265740403
cohesive_energy=4.249969113925499
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: 0.016477719751890833
Energy: 0.017420443470700996
Energy: 1.4835092699001697
Energy: 0.017420443470700996
Energy: 0.017420443470700996
Energy: 1.6409180273559096
Energy: 0.017420443470700996
Energy: 1.640918027355316
Energy: 1.4835092699001697
Energy: 0.017420443470700996
Energy: 0.016477719751890833
Energy: 0.017420443470700996
Energy: 0.017420443470700996
Energy: 1.640918027355316
Energy: 0.017420443470700996
Energy: 1.6409180273559096

minimum gb energy = 0.016477719751890833 eV
minimum distance =  2.50833773053056 Angstroms
sigma value = 1


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

Energy: 1.5747876713900704
Energy: 1.4037071493206776
Energy: 1.2232136827214999
Energy: 1.4037071493199154
Energy: 1.2203985010928458
Energy: 1.3339280234651003
Energy: 1.3282117102384101
Energy: 1.3339280234651003
Energy: 1.2024901250071203
Energy: 1.393955330215903
Energy: 1.4773087035763803
Energy: 1.3939553302166654
Energy: 1.3060550438171286
Energy: 1.3277529449171612
Energy: 1.3532938496310776
Energy: 1.3277529449179233
Energy: 1.3782531679974972
Energy: 1.4079449124396104
Energy: 1.402675952845628
Energy: 1.4079449124418975
Energy: 1.190657859571457
Energy: 1.6638537608303907
Energy: 1.2573565010990155
Energy: 1.663853760831153
Energy: 1.3341028935753485
Energy: 1.393797784024586
Energy: 1.1877438440705355
Energy: 1.393797784024586
Energy: 1.1527171682623194
Energy: 1.4116812445887656
Energy: 1.145798773533207
Energy: 1.4116812445887656
Energy: 1.206508335142329
Energy: 1.6328804358025892
Energy: 1.2048811134614241
Energy: 1.6328804358010642
Energy: 1.3054924184716512
Energy: 1.392891195040665
Energy: 1.143702650824397
Energy: 1.392891195039903
Energy: 1.265693258734789
Energy: 1.3272120619409231
Energy: 1.2060298846517894
Energy: 1.3272120619432097
Energy: 1.2754306897850218
Energy: 1.4117372396334456
Energy: 1.3306632961688951
Energy: 1.4117372396326833
Energy: 1.3270737477683292
Energy: 1.3897771809925583
Energy: 1.333021350141162
Energy: 1.389777180991796
Energy: 1.3335702840637134
Energy: 1.3974361618892677
Energy: 1.2664364186740962
Energy: 1.3974361618900297
Energy: 1.272064677387094
Energy: 1.4041354194024571
Energy: 1.3126907684365936
Energy: 1.4041354194024571
Energy: 1.2666365762266927
Energy: 1.4035818425347344
Energy: 1.3180691507821738
Energy: 1.4035818425339723
Energy: 1.4782272656498607
Energy: 1.3939951629898626
Energy: 1.162749310449511
Energy: 1.3939951629906249
Energy: 1.3307439218794888
Energy: 1.3189124407070696
Energy: 1.3363023991568797
Energy: 1.3189124407070696
Energy: 1.1665692166959478
Energy: 1.40854628973284
Energy: 1.3234883834507323
Energy: 1.40854628973284
Energy: 1.3504824344030406
Energy: 1.8965657548878307
Energy: 1.2085841200070024
Energy: 1.8965657548885932
Energy: 1.252705573545072
Energy: 1.3938858283699613
Energy: 1.171661677672466
Energy: 1.3938858283699613
Energy: 1.2845593692205617
Energy: 1.5369529811334857
Energy: 1.315409702802512
Energy: 1.5369529811357723
Energy: 1.324990279536293
Energy: 1.4087478848466024
Energy: 1.2470998649449847
Energy: 1.408747884847365
Energy: 1.2681972014623275
Energy: 1.393610201560645
Energy: 1.1920973395249368
Energy: 1.393610201559883
Energy: 1.1906320767408267
Energy: 1.6373776264524726
Energy: 1.3339484295778954
Energy: 1.6373776264509476
Energy: 1.3791810275279723
Energy: 1.4116293481523885
Energy: 1.171466989423242
Energy: 1.4116293481523885
Energy: 1.2086728038632069
Energy: 1.7378880384144637
Energy: 1.275739688329665
Energy: 1.7378880384121767
Energy: 1.1710392677829686
Energy: 1.3902021881867328
Energy: 1.4763867797636536
Energy: 1.3902021881867328
Energy: 1.2194897882216738
Energy: 1.4445029304944952
Energy: 1.197406687799587
Energy: 1.4445029304952572
Energy: 1.4941511633752036
Energy: 1.4049175891665966
Energy: 1.1862721423048685
Energy: 1.4049175891658345
Energy: 1.2214545225919122
Energy: 1.3969408611613843
Energy: 1.3265234207023655
Energy: 1.3969408611590974
Energy: 1.198599566193474
Energy: 1.389742466012785
Energy: 1.333121141942565
Energy: 1.389742466012785
Energy: 1.3782824616778566
Energy: 1.4190564644895494
Energy: 1.2710227012409958
Energy: 1.419056464488025

minimum gb energy = 1.143702650824397 eV
minimum distance =  2.29216594541114 Angstroms
sigma value = 1


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

Energy: 1.5322617604598425
Energy: 1.5118041261428805
Energy: 1.269729406716484
Energy: 1.5118041261411423
Energy: 1.2697661953151185
Energy: 1.4189759102733501
Energy: 1.2766835196419617
Energy: 1.4189759102742192
Energy: 1.238149622107455
Energy: 1.5157347312556246
Energy: 1.485740807049648
Energy: 1.5157347312556246
Energy: 1.3075903639501099
Energy: 1.272014583463817
Energy: 1.2652582128968957
Energy: 1.272014583462948
Energy: 1.307470920725354
Energy: 1.4932231401770857
Energy: 1.3953666230656057
Energy: 1.4932231401744782
Energy: 1.3762164676323267
Energy: 1.4931406775111447
Energy: 1.3615059416712407
Energy: 1.4931406775128828
Energy: 1.268663311293028
Energy: 1.5418436900188217
Energy: 1.2706891171172323
Energy: 1.541843690014476
Energy: 1.1862207632425965
Energy: 1.5176546737982832
Energy: 1.3385709630511347
Energy: 1.5176546737991523
Energy: 1.2584450162628513
Energy: 2.059576186395377
Energy: 1.2880329463496443
Energy: 2.0595761863936386
Energy: 1.3872497470756044
Energy: 1.5155967199509632
Energy: 1.277648849204742
Energy: 1.5155967199535707
Energy: 1.343134873483466
Energy: 1.3988562611176998
Energy: 1.2962450432325232
Energy: 1.3988562611185689
Energy: 1.2338848092150043
Energy: 1.5004657087173914
Energy: 1.4593481801818282
Energy: 1.5004657087173914
Energy: 1.4358574564199376
Energy: 1.4879809685948506
Energy: 1.362020165158318
Energy: 1.4879809685931125
Energy: 1.4355126662515791
Energy: 1.4880792179713427
Energy: 1.2607924197093916
Energy: 1.4880792179704736
Energy: 1.2209704245214181
Energy: 1.5005228974367593
Energy: 1.4855191287150535
Energy: 1.5005228974376283
Energy: 1.3431723658118586
Energy: 1.3987376362035495
Energy: 1.2767396658968662
Energy: 1.3987376362035495
Energy: 1.3898252110701304
Energy: 1.5177734490321642
Energy: 1.2512351132701938
Energy: 1.517773449031295
Energy: 1.2584118978428012
Energy: 2.0594021039920682
Energy: 1.2880906972793573
Energy: 2.0594021039911987
Energy: 1.1849024329299744
Energy: 1.5181929922807436
Energy: 1.3237549065275063
Energy: 1.5181929922798745
Energy: 1.34308396115362
Energy: 1.5426179545088774
Energy: 1.2625013609902471
Energy: 1.5426179545088774
Energy: 1.3763989135972563
Energy: 1.493237620494429
Energy: 1.3186437019874913
Energy: 1.4932376204961675
Energy: 1.306774597760801
Energy: 1.4931553912251825
Energy: 1.2889007238167938
Energy: 1.49315539122779
Energy: 1.3064049933474626
Energy: 1.2719067180136585
Energy: 1.2527416082307672
Energy: 1.2719067180127892
Energy: 1.2266508022679847
Energy: 1.5160405184043035
Energy: 1.4853436801167672
Energy: 1.5160405184060022
Energy: 1.2699561999578957
Energy: 1.419077919683815
Energy: 1.276471611832651
Energy: 1.4190779196829457
Energy: 1.5322617604598425
Energy: 1.5118041261437498
Energy: 1.2697294265609238
Energy: 1.5118041261402733
Energy: 1.26976619531338
Energy: 1.4189759102733501
Energy: 1.2766835196419617
Energy: 1.4189759102707427
Energy: 1.2381496221083244
Energy: 1.5157347312556246
Energy: 1.3492441775376574
Energy: 1.5157347312556246
Energy: 1.3075903639527173
Energy: 1.2720145834620786
Energy: 1.2650077107062185
Energy: 1.2720145834620786

minimum gb energy = 1.1849024329299744 eV
minimum distance =  2.28739541622953 Angstroms
sigma value = 25


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

Energy: 1.5454290500289523
Energy: 1.6084473943023674
Energy: 1.3467875927174473
Energy: 1.6084473943023674
Energy: 1.3854519183526794
Energy: 1.424324805108801
Energy: 1.4035620324069569
Energy: 1.4243248051077908
Energy: 1.3216104954512615
Energy: 1.6503653429911282
Energy: 1.4583375814296184
Energy: 1.6503653429911282
Energy: 1.2993741530292684
Energy: 1.4941188283264248
Energy: 1.3376506401118664
Energy: 1.4941188283264248
Energy: 1.3336540343197958
Energy: 1.6144454230299974
Energy: 1.3246889103944723
Energy: 1.6144454230299974
Energy: 1.4818603605753575
Energy: 1.6497297939463043
Energy: 1.3776588943959946
Energy: 1.6497297939463043
Energy: 1.4413942930178136
Energy: 1.6756388110269234
Energy: 1.3713009676006187
Energy: 1.6756388110259128
Energy: 1.4524102146401854
Energy: 1.6139880746650372
Energy: 1.3117027575163138
Energy: 1.6139880746650372
Energy: 1.3705940222029618
Energy: 1.4915064153829714
Energy: 1.4409878537761591
Energy: 1.491506415381961
Energy: 1.534905525890781
Energy: 1.6496115981484514
Energy: 1.4126916809592858
Energy: 1.649611598149462
Energy: 1.4487055929004693
Energy: 1.6079800111320826
Energy: 1.3770652177135947
Energy: 1.6079800111320826
Energy: 1.3568165097033764
Energy: 1.6080412782506144
Energy: 1.3746435918870537
Energy: 1.6080412782496039
Energy: 1.4583057195970741
Energy: 1.6245819616037942
Energy: 1.3141154600116056
Energy: 1.6245819616048045
Energy: 1.3712118054275517
Energy: 1.4407484600849758
Energy: 1.397663945595937
Energy: 1.4407484600849758
Energy: 1.303589178412389
Energy: 1.6155481390536774
Energy: 1.2866916380066367
Energy: 1.6155481390536774
Energy: 1.445084073570573
Energy: 2.1448672277224476
Energy: 1.3373406007091635
Energy: 2.144867227721437
Energy: 1.2600260059540698
Energy: 1.6500106126822291
Energy: 1.2665574094381544
Energy: 1.6500106126822291
Energy: 1.3359716377977817
Energy: 1.5014404717088101
Energy: 1.3064796249164266
Energy: 1.5014404717088101
Energy: 1.3107265030370372
Energy: 1.6341724068191594
Energy: 1.327449304114421
Energy: 1.6341724068181491
Energy: 1.4003806664694776
Energy: 1.64980483921168
Energy: 1.3666736273531197
Energy: 1.64980483921168
Energy: 1.4624284003313675
Energy: 1.6008197698481932
Energy: 1.4053591957048026
Energy: 1.6008197698471827
Energy: 1.5711849626135295
Energy: 1.6104185346833209
Energy: 1.3583652823261532
Energy: 1.6104185346833209
Energy: 1.377819217567139
Energy: 1.494150095374355
Energy: 1.4032832154366504
Energy: 1.4941500953713234
Energy: 1.340326380154942
Energy: 1.6495796545069912
Energy: 1.4574692192604652
Energy: 1.649579654508002
Energy: 1.4374955286667177
Energy: 1.3550269165029674
Energy: 1.3372277220670847
Energy: 1.3550269165029674

minimum gb energy = 1.2600260059540698 eV
minimum distance =  2.29333885454491 Angstroms
sigma value = 9


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

Energy: 1.5002585263738502
Energy: 1.7595516172862316
Energy: 1.390252979171642
Energy: 1.7595516172874368
Energy: 1.4995260074997327
Energy: 1.6473472242016405
Energy: 1.4981943794216974
Energy: 1.6473472242016405
Energy: 1.409925032652106
Energy: 1.6040027074810115
Energy: 1.3920416114876495
Energy: 1.6040027074810115
Energy: 1.5821183801780154
Energy: 1.8286106410366256
Energy: 1.4354291601376827
Energy: 1.8286106410354201
Energy: 1.615926479721517
Energy: 1.6189912563536728
Energy: 1.4602163215194828
Energy: 1.6189912563536728
Energy: 1.3807999432438351
Energy: 1.594093633650476
Energy: 1.4549391805207974
Energy: 1.594093633723972
Energy: 1.5225208545367659
Energy: 1.4359225286199433
Energy: 1.4399711532125397
Energy: 1.4359225286199433
Energy: 1.45278224266925
Energy: 1.3976601650245541
Energy: 1.3841810951934774
Energy: 1.397660165072739
Energy: 1.4186071761222927
Energy: 1.625762459305932
Energy: 1.4612947112435601
Energy: 1.625762459305932
Energy: 1.4984841440131362
Energy: 1.6038227202593383
Energy: 1.50309043265566
Energy: 1.6038227202593383
Energy: 1.3900767752910013
Energy: 1.7462445496857602
Energy: 1.3917650509002695
Energy: 1.746244549684555
Energy: 1.5816062766341763
Energy: 1.5634009180826545
Energy: 1.4390867130952116
Energy: 1.5634009180814492
Energy: 1.3532484827245943
Energy: 1.7689545665757127
Energy: 1.3211090981093745
Energy: 1.7689545665757127
Energy: 1.4930340209911064
Energy: 2.3202773934009047
Energy: 1.5848842377388017
Energy: 2.32027739340211
Energy: 1.3553346422761818
Energy: 1.7689581177134626
Energy: 1.2876661041472446
Energy: 1.7689581177122573
Energy: 1.5816396886682473
Energy: 1.5872638007157212
Energy: 1.439092995216114
Energy: 1.5872638007157212
Energy: 1.3900194935484464
Energy: 1.7462850655843847
Energy: 1.404502879111501
Energy: 1.74628506558559
Energy: 1.498389312487002
Energy: 1.6036795620298108
Energy: 1.5030270683401064
Energy: 1.6036795620286055
Energy: 1.4198429051115138
Energy: 1.625828700345322
Energy: 1.4606998990779196
Energy: 1.625828700345322
Energy: 1.452789850256382
Energy: 1.7142550653476754
Energy: 1.3805977883246554
Energy: 1.71425506534647
Energy: 1.5235916792964708
Energy: 1.4359475309657617
Energy: 1.4379996945196223
Energy: 1.4359475309657617

minimum gb energy = 1.2876661041472446 eV
minimum distance =  2.34303284473457 Angstroms
sigma value = 25


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

Energy: 1.51058017756377
Energy: 1.9124845174246354
Energy: 1.5545783836027405
Energy: 1.9124845174246354
Energy: 1.5418841204375464
Energy: 1.7563854835692612
Energy: 1.400711706904101
Energy: 1.7563854835677704
Energy: 1.4736303311797785
Energy: 1.8705847324905978
Energy: 1.3903244467124638
Energy: 1.8705847324905978
Energy: 1.529200795543346
Energy: 1.7261160134423812
Energy: 1.6242106565335133
Energy: 1.7261160134379092
Energy: 1.6234322971061852
Energy: 1.5413938155743636
Energy: 1.367817773266919
Energy: 1.541393815572873
Energy: 1.392372162097851
Energy: 1.5361059915524855
Energy: 1.6117850028746827
Energy: 1.5361059915539763
Energy: 1.4004015209615592
Energy: 1.5920694913267706
Energy: 1.5203122636876687
Energy: 1.5920694913267706
Energy: 1.6082955660716078
Energy: 1.9013542474074394
Energy: 1.5339222375333283
Energy: 1.9013542474074394
Energy: 1.3901762521588295
Energy: 1.3982589158978758
Energy: 1.410826130547483
Energy: 1.398258915896385
Energy: 1.6589634999735423
Energy: 1.6941016923561225
Energy: 1.4712249384235345
Energy: 1.6941016923561225
Energy: 1.3809420531451182
Energy: 1.8015000266846593
Energy: 1.7016505786707319
Energy: 1.8015000266831689
Energy: 1.390296435993407
Energy: 2.1947133110185866
Energy: 1.6573285127019193
Energy: 2.1947133110185866
Energy: 1.5823309883831589
Energy: 1.5358172433033814
Energy: 1.258488521973803
Energy: 1.5358172433033814
Energy: 1.5247872144686785
Energy: 1.7225637949229604
Energy: 1.6307442291422811
Energy: 1.7225637949229604
Energy: 1.5245179601773262
Energy: 1.8529064394980004
Energy: 1.606072410828088
Energy: 1.8529064394994907
Energy: 1.4111183633393949
Energy: 1.774449639855579
Energy: 1.3927699353703555
Energy: 1.774449639854088
Energy: 1.3888526395759222
Energy: 1.5002582031101144
Energy: 1.6571312975282657
Energy: 1.5002582031101144

minimum gb energy = 1.258488521973803 eV
minimum distance =  2.32341345768757 Angstroms
sigma value = 17


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

Energy: 1.5499828588882978
Energy: 1.7121633655380128
Energy: 1.6307901452055438
Energy: 1.7121633655388568
Energy: 1.6643626621885341
Energy: 1.5376429344602118
Energy: 1.3792323484484508
Energy: 1.5376429344602118
Energy: 1.6785754354945164
Energy: 1.8087435133190257
Energy: 1.3766747729048916
Energy: 1.8087435133190257
Energy: 1.386961941305859
Energy: 1.722443152529251
Energy: 1.564544865511084
Energy: 1.7224431525309394
Energy: 1.7348258417966969
Energy: 1.7312610050725459
Energy: 1.376946178770522
Energy: 1.7312610050691692
Energy: 1.4572983532366484
Energy: 1.4835129237612503
Energy: 1.6054227942860955
Energy: 1.4835129237688482
Energy: 1.4667411749257857
Energy: 1.6309356704647053
Energy: 1.4639355281129365
Energy: 1.6309356704638611
Energy: 1.58759405877233
Energy: 1.6078492407937852
Energy: 1.4739276284835605
Energy: 1.6078492408190728
Energy: 1.5097440054158757
Energy: 1.8397386902494623
Energy: 1.632949346119067
Energy: 1.839738690251995
Energy: 1.7514801459066949
Energy: 1.7255564633072593
Energy: 1.4478389239569567
Energy: 1.725556463309792
Energy: 1.439337439655219
Energy: 1.8580064106047827
Energy: 1.7232473818261034
Energy: 1.8580064105786127
Energy: 1.474663863204862
Energy: 1.5871308554326127
Energy: 1.501863665177738
Energy: 1.5871308554334569
Energy: 1.6778717543778403
Energy: 1.6037342445582485
Energy: 1.5535721293908449
Energy: 1.6037342445650022
Energy: 1.377288566473079
Energy: 1.7966859387087744
Energy: 1.6849497466881427
Energy: 1.7966859387070861
Energy: 1.5239144413643662
Energy: 1.6946519802977524
Energy: 1.5290592488492187
Energy: 1.6946519802952198
Energy: 1.5952879487282883
Energy: 1.8852848368795974
Energy: 1.4908854981795092
Energy: 1.8852848368795974
Energy: 1.3924776027228885
Energy: 1.6163447023719175
Energy: 1.7984467699565705
Energy: 1.616344702373606
Energy: 1.6220311788265707
Energy: 1.688012956380451
Energy: 1.4656323644458205
Energy: 1.688012956380451
Energy: 1.5554828575312682
Energy: 1.6245230593548685
Energy: 1.6093696337932935
Energy: 1.6245230593565567
Energy: 1.5327527652380315
Energy: 1.736080962459677
Energy: 1.4373270651545536
Energy: 1.7360809624605211
Energy: 1.4852274618520906
Energy: 1.8315660902667623
Energy: 1.6110166570062348
Energy: 1.8315660902667623
Energy: 1.4096810020817172
Energy: 2.052393735183602
Energy: 1.7852317582343953
Energy: 2.0523937352148374
Energy: 1.5997289798880325
Energy: 1.8753385476789268
Energy: 1.4519706421341394
Energy: 1.8753385476789268
Energy: 1.4870096715671834
Energy: 1.631734786154754
Energy: 1.6117146740563224
Energy: 1.6317347861564424
Energy: 1.5593410009184412
Energy: 1.8084949015730576
Energy: 1.6152266176931578
Energy: 1.8084949015739016
Energy: 1.6819175572102318
Energy: 1.8488829011652657
Energy: 1.4437476879428517
Energy: 1.8488829011669543
Energy: 1.3387070821182452
Energy: 1.8533113383456263
Energy: 1.8342678870257918
Energy: 1.8533113383447823
Energy: 1.566926546316295
Energy: 1.7105812207577342
Energy: 1.617196419404086
Energy: 1.710581220761111
Energy: 1.8061435425931824
Energy: 1.680847831554213
Energy: 1.4548307845938548
Energy: 1.680847831553369
Energy: 1.4730297544022481
Energy: 1.6768168233637242
Energy: 1.6288003390395205
Energy: 1.6768168233628795

minimum gb energy = 1.3387070821182452 eV
minimum distance =  2.21627644965419 Angstroms
sigma value = 53


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

Energy: 1.267043780897751
Energy: 1.2654099790827462
Energy: 1.671240855921926
Energy: 1.2654099790827462
Energy: 1.6248121974918721
Energy: 1.4088791684499424
Energy: 1.454496025336148
Energy: 1.408879174792613
Energy: 1.287956764748879
Energy: 1.581961245755749
Energy: 1.260839679193478
Energy: 1.581961245755749
Energy: 1.2882120371628114
Energy: 1.5818759241513591
Energy: 1.3880164187757507
Energy: 1.5818759241513591
Energy: 1.6248778590297783
Energy: 1.3951922794287492
Energy: 1.683473199517488
Energy: 1.3951926593562807
Energy: 1.267043780897751
Energy: 1.2654099790827462
Energy: 1.671992372020799
Energy: 1.2654099790827462
Energy: 1.6248121974918721
Energy: 1.4088803721487806
Energy: 1.5203687276283533
Energy: 1.4088803883949939
Energy: 1.287956764748879
Energy: 1.581961245755749
Energy: 1.4372520500750838
Energy: 1.581961245755749
Energy: 1.2882120371589245
Energy: 1.5818759241513591
Energy: 1.4272096653861137
Energy: 1.5818759241513591
Energy: 1.6248778590297783
Energy: 1.3951566373023092
Energy: 1.683473199517488
Energy: 1.3951594649545966
Energy: 1.267043780897751
Energy: 1.2654099790827462
Energy: 1.6720294691075408
Energy: 1.2654099790827462
Energy: 1.6248121974918721
Energy: 1.409132405640616
Energy: 1.520368727634184
Energy: 1.4091324124106774
Energy: 1.2879567647469354
Energy: 1.581961245755749
Energy: 1.5216219708796488
Energy: 1.581961245755749

minimum gb energy = 1.260839679193478 eV
minimum distance =  2.25183437859882 Angstroms
sigma value = 9


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

Energy: 1.497587707925354
Energy: 1.8149288985670355
Energy: 1.775559980228877
Energy: 1.814928898569913
Energy: 1.8557536112692823
Energy: 1.5197355774648653
Energy: 1.5131554530058597
Energy: 1.5197355774641463
Energy: 1.4578108781241
Energy: 1.7515930495016443
Energy: 1.5496696252978088
Energy: 1.751593049498113
Energy: 1.5085332479738047
Energy: 1.8272261688558626
Energy: 1.6066898084923296
Energy: 1.8272261688551434
Energy: 1.8696810617162791
Energy: 1.4711303350740774
Energy: 1.4375966456201348
Energy: 1.4711303350733578
Energy: 1.4778451519687872
Energy: 1.5091024273866147
Energy: 1.5756884190495257
Energy: 1.5091024273816447
Energy: 1.897146430435445
Energy: 1.9451132229432964
Energy: 1.4812550509259723
Energy: 1.9451132229404193
Energy: 1.4863554098441405
Energy: 1.8614231450200995
Energy: 1.6582931119043183
Energy: 1.8614231450222576
Energy: 1.4170165420916196
Energy: 1.7969263554740242
Energy: 1.528590810955313
Energy: 1.7969263554797132
Energy: 1.5065736334683444
Energy: 1.5025551910351478
Energy: 1.4994068811544052
Energy: 1.5025551910344288
Energy: 1.428836643077667
Energy: 1.8822161245633673
Energy: 1.7394341109581402
Energy: 1.8822161245612092
Energy: 1.6187199107363646
Energy: 1.9219084532443118
Energy: 1.4090315267819187
Energy: 1.9219084532435926
Energy: 1.422030196029357
Energy: 1.744127808761081
Energy: 1.716994587043363
Energy: 1.7441278087574845
Energy: 1.5071955775505508
Energy: 1.9389086199383407
Energy: 1.43053701772277
Energy: 1.9389086199369023
Energy: 1.432186362355116
Energy: 1.544044672149086
Energy: 1.6045060684865475
Energy: 1.544044672151963
Energy: 1.398226306085703
Energy: 1.7809716709345158
Energy: 1.440356575922825
Energy: 1.7809716709337964
Energy: 1.4587131687012282
Energy: 1.7823048066547162
Energy: 1.4670787402690435
Energy: 1.7823048066504004
Energy: 1.431804634366363
Energy: 1.471796319903266
Energy: 1.8190227160439305
Energy: 1.4717963199003885
Energy: 1.6960566978567453
Energy: 1.7191118925831679
Energy: 1.480280002348966
Energy: 1.7191118925838873
Energy: 1.4165928883359362
Energy: 1.4633314845960166
Energy: 1.6629361312005235
Energy: 1.4633314845974557
Energy: 1.5605678902413498
Energy: 1.8587784901943902
Energy: 1.5059099040634714
Energy: 1.8587784901915128
Energy: 1.5139726415908117
Energy: 1.746457990877099
Energy: 1.525669817804462
Energy: 1.7464579908799764
Energy: 1.5525333703189343
Energy: 1.571348649725683
Energy: 1.510947343864522
Energy: 1.57134864972856
Energy: 1.7853624165864368
Energy: 1.8270268462372266
Energy: 1.426266460970086
Energy: 1.8270268462379458
Energy: 1.461656160546824
Energy: 1.8608244020284004
Energy: 1.8600486825473597
Energy: 1.8608244020312779
Energy: 1.4603675494924415
Energy: 1.5584207281792057
Energy: 1.413624031369298
Energy: 1.5584207281799252
Energy: 1.6822945249548014
Energy: 1.7230728137836853
Energy: 1.543483991946823
Energy: 1.7230728137808082
Energy: 1.6377700535572224
Energy: 1.703089899008706
Energy: 1.5250684227822207
Energy: 1.7030898990079866
Energy: 1.623728460838378
Energy: 1.4840169413919504
Energy: 1.412701646039064
Energy: 1.4840169413941084
Energy: 1.4947794504080314
Energy: 1.974363155090561
Energy: 1.8726692970863161
Energy: 1.9743631550884027
Energy: 1.7124979750174132
Energy: 1.973857739051646
Energy: 1.4265767718013094
Energy: 1.9738577390494878
Energy: 1.5548295355158106
Energy: 1.5868396833811573
Energy: 1.52642706775517
Energy: 1.5868396833797185
Energy: 1.5957571282967948
Energy: 1.5937863976990105
Energy: 1.4741732735164426
Energy: 1.5937863976990105
Energy: 1.5898214927521805
Energy: 1.942603663108868
Energy: 1.4814832527462427
Energy: 1.942603663108868
Energy: 1.4529406155610551
Energy: 1.9709883872273686
Energy: 1.9824953571515782
Energy: 1.9709883872288072

minimum gb energy = 1.398226306085703 eV
minimum distance =  2.22720873283444 Angstroms
sigma value = 73


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

Energy: 1.43532883992758
Energy: 1.4329888070993368
Energy: 1.7727681468651428
Energy: 1.4329888070981955
Energy: 1.6214496491036159
Energy: 1.9847790041207907
Energy: 1.5302602269193384
Energy: 1.9847790041207907
Energy: 1.5291254117810502
Energy: 1.9631155172769632
Energy: 1.5749356524061286
Energy: 1.9631155172781045
Energy: 1.3582086089588568
Energy: 1.5614359791038706
Energy: 1.5682504011288252
Energy: 1.5614359791038706
Energy: 1.4708704378675952
Energy: 1.534135497768603
Energy: 1.4753491512142558
Energy: 1.534135497768603
Energy: 1.4140563700757107
Energy: 1.5709241597670611
Energy: 1.7521208699489779
Energy: 1.5709241597670611
Energy: 1.8488551187503424
Energy: 1.7315602316896364
Energy: 1.4145312926052531
Energy: 1.731560231688495
Energy: 1.4530617752319617
Energy: 1.8094801898077126
Energy: 1.8819909628142346
Energy: 1.8094801898077126
Energy: 1.5725516082042195
Energy: 1.4338944924461072
Energy: 1.4320707197984799
Energy: 1.4338944924461072
Energy: 1.4727250228934952
Energy: 1.4759930042439726
Energy: 1.4121800428252853
Energy: 1.4759930042439726
Energy: 1.3830716630708035
Energy: 1.634359822790352
Energy: 1.6524139838335525
Energy: 1.6343598227892109
Energy: 1.5746206514043528
Energy: 1.5790708462959515
Energy: 1.438667009287764
Energy: 1.5790708462959515
Energy: 1.5003112080616958
Energy: 1.525346798750238
Energy: 1.8028439447255693
Energy: 1.525346798750238
Energy: 1.8484193892969347
Energy: 1.5254888710573087
Energy: 1.3556464475551828
Energy: 1.525488871045896
Energy: 1.4589519963676763
Energy: 1.873176504703798
Energy: 1.7325488470669501
Energy: 1.8731765047015154
Energy: 1.7674726618410912
Energy: 1.6345501098374702
Energy: 1.385816760057085
Energy: 1.6345501098363289
Energy: 1.5587778111433863
Energy: 1.490763671246202
Energy: 1.471287019579672
Energy: 1.4907636712450607
Energy: 1.5404844194821845
Energy: 1.4334222226813456
Energy: 1.43865823148372
Energy: 1.4334222226813456
Energy: 1.573552083962115
Energy: 1.676802039183953
Energy: 1.4496120898529337
Energy: 1.6768020391816705
Energy: 1.4138661867536089
Energy: 1.8794743959415081
Energy: 1.8492092109895015
Energy: 1.8794743959415081
Energy: 1.8438206622648858
Energy: 1.570163662388163
Energy: 1.4739740026667316
Energy: 1.5701636623904456
Energy: 1.5687642780149598
Energy: 1.6406084376680956
Energy: 1.7891982356499803
Energy: 1.6406084376680956

minimum gb energy = 1.3556464475551828 eV
minimum distance =  2.24960806238451 Angstroms
sigma value = 7


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

Energy: 1.4921879983878095
Energy: 1.4900064311321528
Energy: 1.7807716940630398
Energy: 1.490006431133767
Energy: 1.8026007361151988
Energy: 1.8903215103544582
Energy: 1.4488200094472539
Energy: 1.8903215103560722
Energy: 1.4619616097689436
Energy: 1.7663463166733984
Energy: 1.6488534640082269
Energy: 1.7663463166717843
Energy: 1.4208723753176564
Energy: 1.729138530479275
Energy: 1.5464081982394933
Energy: 1.729138530476047
Energy: 1.524313478874514
Energy: 1.5230967877584702
Energy: 1.4249794491287435
Energy: 1.523096787757663
Energy: 1.4309003745177473
Energy: 1.6628704198309632
Energy: 1.6861254699579185
Energy: 1.6628704198309632
Energy: 1.7657347317452468
Energy: 1.9678845618103236
Energy: 1.4574184575551616
Energy: 1.9678845618079026
Energy: 1.4303512180963056
Energy: 1.6654565338823704
Energy: 1.8728714328157006
Energy: 1.665456533880756
Energy: 1.869522724712304
Energy: 1.5594162546605812
Energy: 1.4932898304473583
Energy: 1.5594162546605812
Energy: 1.441889548198621
Energy: 1.5530352637034017
Energy: 1.596961610449556
Energy: 1.553035263701788
Energy: 1.6182268566826457
Energy: 1.9190040536129467
Energy: 1.4090207676737738
Energy: 1.91900405361214
Energy: 1.481260235105631
Energy: 1.5616653331211665
Energy: 1.488035234412005
Energy: 1.5616653331211665
Energy: 1.5709833082657472
Energy: 1.567895218912538
Energy: 1.4840421347958732
Energy: 1.5678952189173432
Energy: 1.6016932861651008
Energy: 1.7346976528562643
Energy: 1.4258056175852831
Energy: 1.7346976528570712
Energy: 1.4253634353076996
Energy: 1.7034520924910113
Energy: 1.7645255804016016
Energy: 1.7034520924950463
Energy: 1.8286809689753587
Energy: 1.4780199670165546
Energy: 1.4979797218377084
Energy: 1.4780199670181688
Energy: 1.4865016181689605
Energy: 1.62461591071996
Energy: 1.594995939126941
Energy: 1.624615910721574
Energy: 1.4393021551977498
Energy: 1.803653410889817
Energy: 1.4277224885546227
Energy: 1.8036534108914313
Energy: 1.6159074372892843
Energy: 1.699260062971354
Energy: 1.4316877934097416
Energy: 1.6992600453472293
Energy: 1.4409110514710368
Energy: 1.5164778446423983
Energy: 1.4849382916042768
Energy: 1.5164778446432052
Energy: 1.3932355300973809
Energy: 2.0055193644470832
Energy: 1.4937124751017938
Energy: 2.005519364448697
Energy: 1.500741139656934
Energy: 1.7475306638947232
Energy: 1.7015323072648958
Energy: 1.7475306638931092
Energy: 1.8711960088986719
Energy: 1.7109819314895511
Energy: 1.4303833171918148
Energy: 1.710981931500849
Energy: 1.4954223218935807
Energy: 1.4909334838374535
Energy: 1.5193041927547466
Energy: 1.4909334838398742
Energy: 1.457846708707009
Energy: 1.515998510038019
Energy: 1.483798070524735
Energy: 1.5159985100388262
Energy: 1.4226841161982335
Energy: 1.7465455776642267
Energy: 1.5079919898451457
Energy: 1.7465455776618057
Energy: 1.52349927816867
Energy: 1.627766200168046
Energy: 1.6295738597868743
Energy: 1.627766200168046
Energy: 1.4523749082482322
Energy: 1.6127845741500684
Energy: 1.5031468594814754
Energy: 1.6127845741524893
Energy: 1.4737376542528613
Energy: 1.6629536651344083
Energy: 1.7160950807937223
Energy: 1.6629536651360224
Energy: 1.7632350533581227
Energy: 2.2529710083419436
Energy: 1.4100547153477994
Energy: 2.2529710083403294
Energy: 1.4736233268793442
Energy: 1.6626600433587913
Energy: 1.7533758363889709
Energy: 1.6626600433539493

minimum gb energy = 1.3932355300973809 eV
minimum distance =  2.26566617212033 Angstroms
sigma value = 29


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

Energy: 1.3142075206420674
Energy: 1.9447124587840874
Energy: 1.6626766748397552
Energy: 1.9447124587843685
Energy: 1.2497410755511558
Energy: 1.7301551591491013
Energy: 1.4031078362293772
Energy: 1.7301551591474462
Energy: 1.2965282388318577
Energy: 1.5764287464869475
Energy: 1.4427924184394838
Energy: 1.5764287464866662
Energy: 1.5143114298451592
Energy: 1.723725030111328
Energy: 1.4017593575220177
Energy: 1.723725030111328
Energy: 1.400137176497034
Energy: 1.7236296947034417
Energy: 1.4018978724694706
Energy: 1.7236296947042538
Energy: 1.2252565612203548
Energy: 1.5783279029173565
Energy: 1.2251660272642775
Energy: 1.5783279029176374
Energy: 1.3329192313529004
Energy: 1.7236331903525766
Energy: 1.4006145656389324
Energy: 1.723633190353951
Energy: 1.4019705682769452
Energy: 1.7238096464216082
Energy: 1.5141538293002228
Energy: 1.7238096464229824
Energy: 1.440571030792061
Energy: 1.5763998427077548
Energy: 1.2631858434118866
Energy: 1.5763998427085668

minimum gb energy = 1.2251660272642775 eV
minimum distance =  2.33076616400803 Angstroms
sigma value = 5


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

Energy: 1.4164269297407415
Energy: 1.431467544985242
Energy: 1.7048085161548323
Energy: 1.431467544985242
Energy: 1.6375929534850209
Energy: 1.9959734492746415
Energy: 1.3689569021145904
Energy: 1.9959734492738792
Energy: 1.3876778432899148
Energy: 1.7345722763209106
Energy: 1.6429386238995634
Energy: 1.7345722762234057
Energy: 1.3998019174165386
Energy: 1.7729822570097815
Energy: 1.4091918628942741
Energy: 1.7729822570067322
Energy: 1.3779625968270701
Energy: 1.4613716487060187
Energy: 1.6454998499284945
Energy: 1.461371648793614
Energy: 1.38072414330943
Energy: 1.5776687130037383
Energy: 1.3962931581854714
Energy: 1.5776687130029763
Energy: 1.3323533266275354
Energy: 1.4890096041526522
Energy: 1.3336190769325185
Energy: 1.4890096041534144
Energy: 1.358097893804908
Energy: 1.5264995314246859
Energy: 1.3480848469684223
Energy: 1.5264995312608605
Energy: 1.3839498462289845
Energy: 1.8780510238905335
Energy: 1.304158848164188
Energy: 1.8780510238890085
Energy: 1.4092114522623007
Energy: 1.486920847965731
Energy: 1.3232470889949264
Energy: 1.4869208479642062
Energy: 1.3419660525715176
Energy: 1.7014130839708845
Energy: 1.3597562834677395
Energy: 1.7014130839716468
Energy: 1.3738518072259875
Energy: 1.9216761873631003
Energy: 1.427449372566479
Energy: 1.9216761873638626
Energy: 1.4135085182002942
Energy: 1.4320960166358476
Energy: 1.4373974811457462
Energy: 1.4320960166366097
Energy: 1.4119182350086024
Energy: 1.829622198332978
Energy: 1.3694881656823377
Energy: 1.8296221983314536
Energy: 1.6112214187162532
Energy: 1.9845644128896063
Energy: 1.3595928996893878
Energy: 1.9845644128888438
Energy: 1.3987426628152764
Energy: 1.7268870092197137
Energy: 1.795782402404723
Energy: 1.7268870092189514
Energy: 1.6377112904275726
Energy: 1.75787690360663
Energy: 1.3720762643999034
Energy: 1.7578769036081543
Energy: 1.402397905408343
Energy: 1.5867170670172148
Energy: 1.7815346848144653
Energy: 1.586717067017977
Energy: 1.3376822344437773
Energy: 1.4887253691405586
Energy: 1.3394093786987535
Energy: 1.4887253691390343
Energy: 1.3408743738202789
Energy: 1.7300508808858612
Energy: 1.4936709361533815
Energy: 1.730050880884337
Energy: 1.316881036765251
Energy: 1.6978868991097193
Energy: 1.4102810916565973
Energy: 1.6978868991104816
Energy: 1.391950405262804
Energy: 1.489564266707837
Energy: 1.3898084249280267
Energy: 1.4895642667085993
Energy: 1.3609351398229044
Energy: 1.7357758625659103
Energy: 1.3247330037904792
Energy: 1.7357758625636237
Energy: 1.5294780385571287
Energy: 1.8157225495835676
Energy: 1.3597819095195667
Energy: 1.8157225495843299
Energy: 1.4342422487561413
Energy: 1.4171716071113138
Energy: 1.4406823593973441
Energy: 1.4171716070717433
Energy: 1.5034509182877007
Energy: 1.7025387134030763
Energy: 1.372564454668843
Energy: 1.7025387134084122
Energy: 1.3950906444754902
Energy: 1.650339732673185
Energy: 1.3428680229520933
Energy: 1.6503397326739473
Energy: 1.5880909555831908
Energy: 1.7041151744898184
Energy: 1.3988435006303874
Energy: 1.7041151744890561
Energy: 1.3618339112784412
Energy: 2.0743388258801896
Energy: 1.8786119634307383
Energy: 2.074338825878665
Energy: 1.9138401384894295
Energy: 1.587953836372903
Energy: 1.4024243000520558
Energy: 1.5879538363713785
Energy: 1.3966807077183976
Energy: 1.4029978652279762
Energy: 1.8815689810232124
Energy: 1.4029978652295012
Energy: 1.6551291264809564
Energy: 1.9892484087540374
Energy: 1.3260698048762334
Energy: 1.9892484087532751
Energy: 1.4013205199728207
Energy: 1.7016706638924033
Energy: 1.3054017226167576
Energy: 1.7016706638916408

minimum gb energy = 1.304158848164188 eV
minimum distance =  2.15255555057897 Angstroms
sigma value = 1


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

Energy: 1.358393676958226
Energy: 1.3567435849309055
Energy: 1.7727869104229983
Energy: 1.3567435849319598
Energy: 1.494830437592072
Energy: 1.9655657315742887
Energy: 1.3242354275972463
Energy: 1.9655657315753428
Energy: 1.2949085632028958
Energy: 1.7561226736787516
Energy: 1.9772736133990654
Energy: 1.7561226736787516
Energy: 1.5274373733265947
Energy: 1.432391956985183
Energy: 1.3217391030323251
Energy: 1.432391956984129
Energy: 1.2761153998841237
Energy: 1.840894982503299
Energy: 1.6663802617513293
Energy: 1.840894982503299
Energy: 1.25865748769505
Energy: 1.6885925502023
Energy: 1.321119649881609
Energy: 1.6885925502023
Energy: 1.2665640257408837
Energy: 1.4714054871809064
Energy: 1.2828533421539572
Energy: 1.4714054871819602
Energy: 1.2672254360373956
Energy: 1.722285739946411
Energy: 1.3079826841918838
Energy: 1.722285739882165
Energy: 1.3571926764699942
Energy: 1.3534992361101523
Energy: 1.314857281706
Energy: 1.3534992361069904
Energy: 1.3568330500934305
Energy: 1.3560859401272607
Energy: 1.3121921572409136
Energy: 1.3560859401262066
Energy: 1.26660459736317
Energy: 1.7654449612514174
Energy: 1.2934366301864737
Energy: 1.7654449612503633
Energy: 1.2677098465769496
Energy: 1.471251830839112
Energy: 1.3362252756135085
Energy: 1.471251830838058
Energy: 1.254300867418591
Energy: 1.7106882035216175
Energy: 1.3219151445680823
Energy: 1.7106882035216175
Energy: 1.2673628201112013
Energy: 1.7874731489018585
Energy: 1.7398382613106609
Energy: 1.7874731489071285
Energy: 1.5276843525231822
Energy: 1.431287946469646
Energy: 1.3216632407107805
Energy: 1.4312879464654296
Energy: 1.2948822875031154
Energy: 1.6712420613203014
Energy: 1.797560577620855
Energy: 1.6712420613181933
Energy: 1.751901305204823
Energy: 1.9597498787640724
Energy: 1.3243450113997657
Energy: 1.9597498787661805
Energy: 1.358393676958226
Energy: 1.3567435849309055
Energy: 1.6991547740755897
Energy: 1.3567435849319598
Energy: 1.494830435991708
Energy: 1.965565731578505
Energy: 1.3242354275983004
Energy: 1.965565731577451
Energy: 1.2949085632028958
Energy: 1.7561226736798057
Energy: 1.9772736133990654
Energy: 1.7561226736787516
Energy: 1.5274373733255406
Energy: 1.432391956984129
Energy: 1.3217391030312713
Energy: 1.432391956983075
Energy: 1.2761153998841237
Energy: 1.840894982504353
Energy: 1.6663802617555452
Energy: 1.840894982504353
Energy: 1.258657487682402
Energy: 1.688592550206516
Energy: 1.3211196498826625
Energy: 1.6885925502075703
Energy: 1.2665640257429918
Energy: 1.471405487179852
Energy: 1.2828533421455248
Energy: 1.4714054871809064

minimum gb energy = 1.254300867418591 eV
minimum distance =  2.29413687452475 Angstroms
sigma value = 17


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

Energy: 1.3272585365713854
Energy: 1.3262198940277843
Energy: 1.7045898371649815
Energy: 1.3262198940271328
Energy: 1.704717639134345
Energy: 1.5397106191955343
Energy: 1.3016049419664473
Energy: 1.5397106191922771
Energy: 1.2934970974914781
Energy: 1.5134876080679944
Energy: 1.6468377888519985
Energy: 1.5134876080725548
Energy: 1.499981017286681
Energy: 1.5067280246172505
Energy: 1.2836609932456466
Energy: 1.5067280246152963
Energy: 1.2656495742356315
Energy: 1.8716253206456896
Energy: 1.654281769035657
Energy: 1.8716253206443867
Energy: 1.2675409862944542
Energy: 1.8623807210459948
Energy: 1.3059578657301147
Energy: 1.8623807210472976
Energy: 1.3054265582297289
Energy: 1.3716655171394578
Energy: 1.3430145978178747
Energy: 1.3716655171062333
Energy: 1.2814642883125484
Energy: 1.6282228211306502
Energy: 1.2814018613904397
Energy: 1.6282228211326046
Energy: 1.327374407654928
Energy: 1.6346209060049588
Energy: 1.3104335860276302
Energy: 1.6346209060011092
Energy: 1.3301874647044845
Energy: 1.5654345393805986
Energy: 1.2867783167128808
Energy: 1.565434539377993
Energy: 1.2984073145852038
Energy: 1.744931723225964
Energy: 1.3015915324323701
Energy: 1.7449317232253125
Energy: 1.3143734668244067
Energy: 1.371924652450121
Energy: 1.2630993820997714
Energy: 1.3719246524507724
Energy: 1.2783863788656218
Energy: 1.8308581511743331
Energy: 1.3009502925421546
Energy: 1.8308581511697728
Energy: 1.301586690241077
Energy: 1.3922937833768756
Energy: 1.4527451156210514
Energy: 1.3922937690961117
Energy: 1.3012666529971322
Energy: 1.7618423109767616
Energy: 1.439074373116657
Energy: 1.7618423109767616
Energy: 1.2788371211496647
Energy: 1.7212190328846708
Energy: 1.6371409140633706
Energy: 1.7212190328931396
Energy: 1.3081425583729573
Energy: 1.595025665677274
Energy: 1.3007237176764377
Energy: 1.595025665670108
Energy: 1.2787470114775616
Energy: 1.479502817064972
Energy: 1.7321618086208244
Energy: 1.4795028170551998
Energy: 1.651942106553176
Energy: 1.9431874953060642
Energy: 1.2931823682488919
Energy: 1.9431874953067154
Energy: 1.296128780326472
Energy: 1.3116872655974812
Energy: 1.7998062181614987
Energy: 1.311687265598784
Energy: 1.316751985607672
Energy: 1.5232132965864105
Energy: 1.2976511954541001
Energy: 1.5232133006809525
Energy: 1.3044040294010988
Energy: 1.7214082621707552
Energy: 1.5921251667517797
Energy: 1.7214082621655435
Energy: 1.6167267982161837
Energy: 1.5199826076102487
Energy: 1.2984306107493895
Energy: 1.5199826114574138
Energy: 1.293807419138388
Energy: 1.7491765412182654
Energy: 1.6697825573871665
Energy: 1.7491765412182654
Energy: 1.29329628793974
Energy: 1.4657462751419348
Energy: 1.2813105669952005
Energy: 1.4657462751373744
Energy: 1.3075076614771286
Energy: 1.4007931333913395
Energy: 1.300885620832045
Energy: 1.4007931333919907
Energy: 1.4792418966164087
Energy: 1.788847634920364
Energy: 1.311821896701397
Energy: 1.788847634917758
Energy: 1.4408943781660497
Energy: 1.7914468273947295
Energy: 1.2835195434147195
Energy: 1.7914468273999409
Energy: 1.347273837911496
Energy: 1.590996729542132
Energy: 1.2954648885811149
Energy: 1.5909967295453893
Energy: 1.2778244079216168
Energy: 1.8511828057615904
Energy: 1.3103860989355116
Energy: 1.851182805760939
Energy: 1.2867949645556551
Energy: 1.3976656554720917
Energy: 1.319937780577666
Energy: 1.3976656554720917
Energy: 1.2946895563569099
Energy: 1.750116422697855
Energy: 1.3020450547243003
Energy: 1.7501164227226105
Energy: 1.3126704599646535
Energy: 1.5660668103609994
Energy: 1.5224947771885111
Energy: 1.5660668056120368
Energy: 1.313444929342663
Energy: 1.6293199847000133
Energy: 1.3109930580521532
Energy: 1.6293199847026192
Energy: 1.2660715488505077
Energy: 1.708780197416298
Energy: 1.4147588836617948
Energy: 1.7087801974176007
Energy: 1.3343776064229136
Energy: 1.3875178029733575
Energy: 1.3022518575081716
Energy: 1.3875178029655397
Energy: 1.2985965681710268
Energy: 1.8367868875686393
Energy: 1.2409456740318863
Energy: 1.8367868875660336
Energy: 1.4702353685163092
Energy: 1.755963045460327
Energy: 1.3023757463896077
Energy: 1.7559630454629327

minimum gb energy = 1.2409456740318863 eV
minimum distance =  2.21219568659368 Angstroms
sigma value = 89


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

Energy: 1.1648106732459624
Energy: 1.1641735352843228
Energy: 1.4194723196894536
Energy: 1.1641735352843228
Energy: 1.18932733122705
Energy: 1.2021183169825571
Energy: 1.1869331128397993
Energy: 1.2021183169808525
Energy: 1.1861813183362635
Energy: 1.8423927204190786
Energy: 1.966818124536417
Energy: 1.8423927204190786
Energy: 1.4078284422751406
Energy: 1.2021675996113521
Energy: 1.1869224774230545
Energy: 1.2021675996113521
Energy: 1.185811987679758
Energy: 1.6323078502550796
Energy: 1.9208332624972604
Energy: 1.6323078502533752
Energy: 1.1846385025942971
Energy: 1.1649312059567136
Energy: 1.168013580454765
Energy: 1.164931205958418
Energy: 1.1860054230775452
Energy: 1.3602169183841966
Energy: 1.1789988363127004
Energy: 1.360216918385901
Energy: 1.1471517374928835
Energy: 1.7956923440506296
Energy: 1.1863423276842493
Energy: 1.795692344052334
Energy: 1.185965322083331
Energy: 1.2714589265588232
Energy: 1.1997256342308578
Energy: 1.2714589265588232
Energy: 1.234544110806984
Energy: 1.642509008701629
Energy: 1.1850852980512894
Energy: 1.6425090087033338
Energy: 1.1780572283557467
Energy: 1.2029253848095987
Energy: 1.1872080904109164
Energy: 1.2029253848095987
Energy: 1.1891605777613228
Energy: 1.3619482616163527
Energy: 1.1865450477998012
Energy: 1.3619482616163527
Energy: 1.1860180363065693
Energy: 1.6153438357461247
Energy: 1.1823137362785967
Energy: 1.61534383574442
Energy: 1.1851355109858024
Energy: 1.2682132052441895
Energy: 1.1848877313418247
Energy: 1.268213205242485
Energy: 1.1479493496175963
Energy: 1.6148665352538514
Energy: 1.186521268264403
Energy: 1.6148665352555558

minimum gb energy = 1.1471517374928835 eV
minimum distance =  2.21868299384317 Angstroms
sigma value = 13


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

Energy: 1.1336006349688728
Energy: 1.5804748675036695
Energy: 1.6595779165199471
Energy: 1.5804748675036695
Energy: 1.5533268961670565
Energy: 1.6292269972329634
Energy: 1.0809176740428101
Energy: 1.629226997246538
Energy: 1.0937392100807102
Energy: 1.638164330238167
Energy: 1.5916729576419415
Energy: 1.6381643302374527
Energy: 1.101352242741506
Energy: 1.6150945431293913
Energy: 1.0812367657196258
Energy: 1.6150945431293913
Energy: 1.1019377986286374
Energy: 1.8594802959897416
Energy: 1.1494282000059985
Energy: 1.8594802959875982
Energy: 1.0871708174240198
Energy: 1.3640028976365444
Energy: 1.1087164552445539
Energy: 1.364002897639402
Energy: 1.099285792715838
Energy: 1.7940939987450935
Energy: 1.5131050221091102
Energy: 1.7940939987458082
Energy: 1.0770789838439148
Energy: 1.6767006707015017
Energy: 1.1087995021824426
Energy: 1.676700670702216
Energy: 1.1008226250991442
Energy: 1.7015708862596894
Energy: 1.4081038388455875
Energy: 1.7015708862596894
Energy: 1.3668579880923375
Energy: 1.8653036620921115
Energy: 1.0778513605580022
Energy: 1.8653036620899683
Energy: 1.099963412876655
Energy: 1.4719908699190538
Energy: 1.124063684406235
Energy: 1.4719908699154813
Energy: 1.6275611322956485
Energy: 1.8818242147477837
Energy: 1.0889933806491439
Energy: 1.8818242147463549
Energy: 1.1453906390007853
Energy: 1.5910530202649782
Energy: 1.1169069713649467
Energy: 1.5910530202635491
Energy: 1.6444981524105915
Energy: 1.6385875416479256
Energy: 1.0878797662792434
Energy: 1.638587541650069
Energy: 1.1009337461039121
Energy: 1.6436471394917287
Energy: 1.1009854130999277
Energy: 1.643647139488871
Energy: 1.1015982184488429
Energy: 1.420769081769757
Energy: 1.0852550906101177
Energy: 1.4207690817719
Energy: 1.104670803048366
Energy: 1.8004580443791778
Energy: 1.0857165120225614
Energy: 1.8004580443813212
Energy: 1.1202406766413742
Energy: 1.6641837813777531
Energy: 1.1227702728021722
Energy: 1.6641837813813252
Energy: 1.104552926229941
Energy: 1.8209489943638708
Energy: 1.1223477316399744
Energy: 1.820948994362442
Energy: 1.104354502569641
Energy: 1.8233573023856724
Energy: 1.1227409726753708
Energy: 1.8233573023849579
Energy: 1.1205831163481115
Energy: 1.6717765233392614
Energy: 1.1221853291750936
Energy: 1.6717765233421193
Energy: 1.1043499110672623
Energy: 1.8007017376076662
Energy: 1.0853609319995596
Energy: 1.8007017376098093
Energy: 1.1164557216060929
Energy: 1.4203075325690748
Energy: 1.086074717236827
Energy: 1.4203075325669312
Energy: 1.1013156328285016
Energy: 1.6437482491098465
Energy: 1.0986990051220338
Energy: 1.6437482491112752
Energy: 1.6444834703515816
Energy: 1.6251856064751458
Energy: 1.0875410103579752
Energy: 1.6251856064794323
Energy: 1.1443923826424645
Energy: 1.628212374243839
Energy: 1.1004466564920816
Energy: 1.6282123742445533
Energy: 1.6346879685488145
Energy: 1.8708992483816649
Energy: 1.0834487534054789
Energy: 1.8708992483730915
Energy: 1.100144854488072
Energy: 1.472121321752301
Energy: 1.1041482106023943
Energy: 1.4721213217465854
Energy: 1.3667325623974877
Energy: 1.8617881301795147
Energy: 1.0777586471211567
Energy: 1.861788130175228
Energy: 1.1006808417855847
Energy: 1.7009330923130643
Energy: 1.3480976573617944
Energy: 1.7009330923152077
Energy: 1.0738157023661055
Energy: 1.690097753439453
Energy: 1.10887118661066
Energy: 1.6900977534415966
Energy: 1.1007026124315522
Energy: 1.7781754695439644
Energy: 1.6431073998655628
Energy: 1.7781754695453935
Energy: 1.0866238401489303
Energy: 1.3745806790590702
Energy: 1.108674227168548
Energy: 1.3745806790604989
Energy: 1.101936453193609
Energy: 1.8599542648782135
Energy: 1.52307145040849
Energy: 1.8599542648774992
Energy: 1.1014285505155998
Energy: 1.615086957392012
Energy: 1.0811866339674068
Energy: 1.6150869573898683

minimum gb energy = 1.0738157023661055 eV
minimum distance =  2.19444750171665 Angstroms
sigma value = 37


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

Energy: 1.2523769445687993
Energy: 1.2509266610696776
Energy: 1.293231306058887
Energy: 1.2509266610684484
Energy: 1.2813565521130574
Energy: 1.4054138723514458
Energy: 0.987413044153453
Energy: 1.4054138723502168
Energy: 1.0244627255690901
Energy: 1.8429619647209088
Energy: 1.668442594720264
Energy: 1.8429619647221378
Energy: 1.5947546225291833
Energy: 1.2356409771096812
Energy: 1.0026518248347713
Energy: 1.2356409771096812
Energy: 1.0003248018664324
Energy: 1.4037461313391666
Energy: 1.2378602412755904
Energy: 1.4037461313391666
Energy: 1.0239935912005051
Energy: 1.591164420702721
Energy: 1.1973913597764823
Energy: 1.5911644207039501
Energy: 1.0159888124782208
Energy: 1.8847351235954963
Energy: 1.7638442171640238
Energy: 1.8847351235967253
Energy: 0.9890331243643132
Energy: 1.034157557431608
Energy: 1.0370304011308102
Energy: 1.0341575574303787
Energy: 0.9875839849652132
Energy: 1.4980534768048983
Energy: 1.5219057186980098
Energy: 1.4980534768036693
Energy: 1.4319759368967888
Energy: 1.8470344282097968
Energy: 1.197425411023993
Energy: 1.8470344282097968
Energy: 1.0154066404657318
Energy: 1.716145291481784
Energy: 1.193637772331123
Energy: 1.716145291480555
Energy: 1.7324154296652856
Energy: 1.4331131523860656
Energy: 1.0019706870036793
Energy: 1.4331131523860656
Energy: 1.1938418097014791
Energy: 1.6974206592397734
Energy: 1.042948773799553
Energy: 1.6974206592397734
Energy: 1.7660130392851332
Energy: 1.7876719512200736
Energy: 0.986346037423312
Energy: 1.7876719512200736
Energy: 1.2519020635811622
Energy: 1.2781445746527704
Energy: 0.9853515458332487
Energy: 1.2781445746539999
Energy: 1.4418977476186983
Energy: 1.4980635510606806
Energy: 0.986166342192254
Energy: 1.4980635510619096
Energy: 1.193904139793202
Energy: 1.8179085159013593
Energy: 0.9838731865253824
Energy: 1.8179085159025887
Energy: 1.191551799881594
Energy: 1.7382438772321438
Energy: 1.0031421391053648
Energy: 1.7382438772284563
Energy: 1.0025940255548689
Energy: 1.4347880028990756
Energy: 0.9982013771489766
Energy: 1.4347880028990756
Energy: 1.0035433114474441
Energy: 1.6737458454162595
Energy: 1.1926442865125249
Energy: 1.6737458454162595

minimum gb energy = 0.9838731865253824 eV
minimum distance =  2.21142481101956 Angstroms
sigma value = 25


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

Energy: 0.9396629783425031
Energy: 1.461464189084346
Energy: 1.1852790842679617
Energy: 1.4614641890872255
Energy: 1.4904748129047793
Energy: 1.5109895837761447
Energy: 0.8918215109381308
Energy: 1.5109895837895821
Energy: 0.8860217746283585
Energy: 0.8861774495845686
Energy: 1.6445113663421984
Energy: 0.8861774495855284
Energy: 0.9189204505352766
Energy: 1.5487949467241926
Energy: 0.8915879667516935
Energy: 1.548794946710755
Energy: 0.8902835386416984
Energy: 1.5187345909788863
Energy: 1.2551922837683351
Energy: 1.518734590987481
Energy: 1.261214864964656
Energy: 1.5229252601756835
Energy: 0.8911230330766446
Energy: 1.5229252602581846
Energy: 0.8929440880746126
Energy: 1.1808084644166057
Energy: 0.9200573141832499
Energy: 1.1808084644175656
Energy: 1.2116563882770184
Energy: 1.239890429174325
Energy: 0.8877027151687508
Energy: 1.2398904291752846
Energy: 0.891486010321225
Energy: 1.5259481837550761
Energy: 1.4913376540928671
Energy: 1.5259481837387594
Energy: 0.860998488327544
Energy: 1.5233570736873225
Energy: 0.9410506623221904
Energy: 1.5233570736844433
Energy: 0.8931324371741756
Energy: 1.2013033837893645
Energy: 1.4699831718336134
Energy: 1.2013033837912845
Energy: 1.5579727045672618
Energy: 1.625855912967829
Energy: 0.8877316375929563
Energy: 1.625855912967829
Energy: 0.8914564608254957
Energy: 1.5227919272658421
Energy: 1.1644346648579313
Energy: 1.522791927321468
Energy: 1.613418975045766
Energy: 1.6215975270189429
Energy: 0.8911961556101836
Energy: 1.6215975270189429
Energy: 0.8927679591327521
Energy: 1.1814471654152385
Energy: 0.8587000787029596
Energy: 1.1814471654171583
Energy: 1.355839176243794
Energy: 1.6431875140640935
Energy: 0.8956554769850753
Energy: 1.643187514066013
Energy: 0.8920280984864365
Energy: 1.240666604478639
Energy: 0.8889849119315777
Energy: 1.240666604478639
Energy: 1.3544723046174152
Energy: 1.5301654050301876
Energy: 0.8916012905126169
Energy: 1.530165405029228
Energy: 0.9442563226331331
Energy: 1.4972334161358307
Energy: 0.8609207305991895
Energy: 1.4972334161348708
Energy: 1.4712974246556472
Energy: 1.632853568170507
Energy: 0.8955278632642004
Energy: 1.6328535681714669
Energy: 0.8915935503397157
Energy: 1.6430229938206968
Energy: 0.8768608843238783
Energy: 1.6430229938206968
Energy: 0.8883961368315463
Energy: 1.4912675971091174
Energy: 0.8914228375339053
Energy: 1.4912675971100775
Energy: 0.8937389788209089
Energy: 1.5729958261156327
Energy: 1.227093136334073
Energy: 1.5729958261146726
Energy: 0.8589303005678959
Energy: 1.6330990997777424
Energy: 0.8925230164936471
Energy: 1.6330990997796624
Energy: 0.8953241002319937
Energy: 1.6429390649235245
Energy: 1.2011681226969944
Energy: 1.6429390649225646
Energy: 0.86045361819635
Energy: 1.2644537421649942
Energy: 0.8931187657532338
Energy: 1.2644537421678734

minimum gb energy = 0.8587000787029596 eV
minimum distance =  2.18764200180403 Angstroms
sigma value = 41


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

Energy: 1.3140332645392712
Energy: 1.300107215593984
Energy: 1.3836621072033028
Energy: 1.300107215585328
Energy: 1.322458633539221
Energy: 1.372929805085431
Energy: 0.7879587612866499
Energy: 1.3729298050838572
Energy: 0.8172317945703653
Energy: 1.2717071862500569
Energy: 1.5704327907036715
Energy: 1.271707186248483
Energy: 1.0664822522803399
Energy: 1.3144137994577048
Energy: 0.7878161458080766
Energy: 1.3144137994569178
Energy: 0.786878111531034
Energy: 1.3325929893527393
Energy: 1.1705928157686905
Energy: 1.3325929893724116
Energy: 0.8120008584930589
Energy: 1.3472777769864053
Energy: 0.7877464602426075
Energy: 1.3472777769856183
Energy: 0.7749975958115566
Energy: 1.3343910667916627
Energy: 0.8126859178571668
Energy: 1.3343910667916627
Energy: 1.1735279177558657
Energy: 1.0956112872351187
Energy: 0.7880296989696949
Energy: 1.0956112872359054
Energy: 0.7852393873108515
Energy: 1.415239121142434
Energy: 1.0673342941664126
Energy: 1.4152391211416473
Energy: 1.135392997581711
Energy: 1.3867272170726073
Energy: 0.8183763720327633
Energy: 1.3867272170718203
Energy: 0.7835274221092594
Energy: 1.2821122110367102
Energy: 1.5662029671608468
Energy: 1.2821122109793024
Energy: 1.2646941878283224
Energy: 1.3167448708131493
Energy: 1.3156700195633901
Energy: 1.3167448707258393
Energy: 0.7890453378614535
Energy: 1.4221973239511192
Energy: 1.5619692255851945
Energy: 1.422197323952693
Energy: 1.4518090952521838
Energy: 1.5709843969502293
Energy: 0.8184438144879643
Energy: 1.5709843969478683
Energy: 0.7837353209635018
Energy: 1.2817408742960343
Energy: 1.0666358036518835
Energy: 1.2817408742976082
Energy: 1.620944842884568
Energy: 1.4204451348547198
Energy: 0.7878846789987373
Energy: 1.4204451348555067
Energy: 0.7829199172686176
Energy: 1.4246215343962247
Energy: 1.0367277039506904
Energy: 1.4246215343977986
Energy: 1.2177731499717597
Energy: 1.5705504466168037
Energy: 0.7838979084753096
Energy: 1.5705504466160167
Energy: 0.7833674776935662
Energy: 1.0887813139752958
Energy: 0.7573667565815682
Energy: 1.0887813139752958
Energy: 1.2064573195683086
Energy: 1.4189676217040006
Energy: 0.7923980512111202
Energy: 1.4189676217047877
Energy: 0.9036207649190812
Energy: 1.488818535653864
Energy: 0.8085576046315391
Energy: 1.4888185356546508
Energy: 1.5025774772773475
Energy: 1.5821566421677484
Energy: 0.7879210197367168
Energy: 1.5821566421669613
Energy: 1.3182467108674234
Energy: 1.34226524584262
Energy: 0.753926967450971
Energy: 1.3422652458402595
Energy: 1.424427893010461
Energy: 1.4529275301808373
Energy: 0.785811105987413
Energy: 1.4529275301808373
Energy: 0.8209124726082672
Energy: 1.5080689890045764
Energy: 0.7590112298455167
Energy: 1.5080689890053633
Energy: 1.2729057704732656
Energy: 1.5087624328940186
Energy: 0.7802994475355177
Energy: 1.5087624328940186
Energy: 0.7838252607926169
Energy: 1.4599547309177678
Energy: 1.0748150012284297
Energy: 1.4599547309177678
Energy: 0.779316131136294
Energy: 1.4055692225091283
Energy: 0.792451456096723
Energy: 1.4055692225091283
Energy: 0.7827529199957075
Energy: 1.5084927609229242
Energy: 1.2075431575417919
Energy: 1.508492760923711
Energy: 0.7600665157438401
Energy: 1.4555381637371327
Energy: 0.7880009955547369
Energy: 1.4555381637379197
Energy: 0.7864892016438011
Energy: 1.4329706898590384
Energy: 1.2130361240891445
Energy: 1.4329706898590384
Energy: 0.7745444725925659
Energy: 1.4730386510055955
Energy: 0.9068621484060881
Energy: 1.4730386510071694

minimum gb energy = 0.753926967450971 eV
minimum distance =  2.27371922663551 Angstroms
sigma value = 15


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

Energy: 1.1744471204918536
Energy: 1.3480531227507113
Energy: 1.471934288771325
Energy: 1.348053122750045
Energy: 1.8630801406854332
Energy: 1.24915466013532
Energy: 0.8039187494289088
Energy: 1.2491546601366532
Energy: 0.7513621854472057
Energy: 1.1629692583291302
Energy: 1.495178819054829
Energy: 1.1629692583324636
Energy: 1.1610255212813265
Energy: 1.293296811641179
Energy: 0.8038400031249977
Energy: 1.2932968116445118
Energy: 0.7331751574650057
Energy: 1.4987220540219435
Energy: 1.109038411818826
Energy: 1.4987220540246098
Energy: 0.9487299751092514
Energy: 1.2676828960485107
Energy: 0.8039440794601111
Energy: 1.2676828960458444
Energy: 0.871998930775661
Energy: 1.1787662467563949
Energy: 0.7291436058071462
Energy: 1.178766246751062
Energy: 0.731157323687605
Energy: 1.1674391136287743
Energy: 0.7979187817609712
Energy: 1.1674391131437232
Energy: 0.8049147371355263
Energy: 1.4212725753780944
Energy: 0.9477683182251894
Energy: 1.421272575375428
Energy: 1.106864576252544
Energy: 1.3279330746203486
Energy: 0.8028204599822909
Energy: 1.327933074615682
Energy: 0.8039324360820157
Energy: 1.2771527284076016
Energy: 1.1644434738992475
Energy: 1.277152728404935
Energy: 1.0813925528208685
Energy: 1.1648102446066586
Energy: 0.8298646285897961
Energy: 1.164810244603992
Energy: 0.8046878768935767
Energy: 1.359450877851338
Energy: 1.6926642543152361
Energy: 1.3594508778466718
Energy: 1.1806945958024992
Energy: 1.3855879960977622
Energy: 1.1756202331984256
Energy: 1.385587996098429
Energy: 0.8038848401750691
Energy: 1.2665031813836822
Energy: 1.3686855830602114
Energy: 1.2665031813770158
Energy: 1.4363702604023028
Energy: 1.163712168303174
Energy: 0.8295091877894789
Energy: 1.1637121685023697
Energy: 0.8046407162368874
Energy: 1.3602275245820172
Energy: 1.1645180430809505
Energy: 1.3602275245840172
Energy: 1.4723148509142534
Energy: 1.3949278326708414
Energy: 0.8030579320860368
Energy: 1.3949278326701748
Energy: 0.7207191002169546
Energy: 1.2593995021510282
Energy: 0.9462480779456671
Energy: 1.2593995021530284
Energy: 0.982137290015468
Energy: 1.262631896799357
Energy: 0.7960295604350118
Energy: 1.262631896799357
Energy: 0.8047866512687077
Energy: 1.283743679543954
Energy: 0.9312915617289845
Energy: 1.283743679274764
Energy: 1.088916690829042
Energy: 1.3938633807124512
Energy: 0.8771832037483958
Energy: 1.3938633806857867
Energy: 0.8037876235825224
Energy: 1.3244958323331335
Energy: 0.6843034666990238
Energy: 1.3244958323284672
Energy: 1.4822941331126482
Energy: 1.2598935256192438
Energy: 0.7971310225573124
Energy: 1.2598935256192438
Energy: 0.7587415523676917
Energy: 1.3656861490579533
Energy: 0.7490144788743264
Energy: 1.3656861490572862
Energy: 1.3410874459020532
Energy: 1.3938919148628104
Energy: 0.87542748632884
Energy: 1.3938919148601436
Energy: 1.1764798914268277
Energy: 1.3490987457485764
Energy: 0.7113733958559533
Energy: 1.3490987457479098
Energy: 1.5268810311667833
Energy: 1.2811828943539347
Energy: 0.7971340878401928
Energy: 1.2811828943552677
Energy: 0.7583635779779553
Energy: 1.484333628229401
Energy: 0.755770062740307
Energy: 1.484333628230734
Energy: 1.2668704330332885
Energy: 1.3604497079454743
Energy: 0.8757270493817169
Energy: 1.3604497079421414
Energy: 0.8039197320135968
Energy: 1.3584277310011932
Energy: 0.9744955146907366
Energy: 1.3584277310025266
Energy: 1.1476082736690192
Energy: 1.2574750431159019
Energy: 0.7221663808248002
Energy: 1.2574750431139017
Energy: 0.7969961085805979
Energy: 1.495923199277021
Energy: 0.9827707469843797
Energy: 1.495923199277021
Energy: 0.7272451330729945
Energy: 1.2821866291970914
Energy: 0.8065254951376744
Energy: 1.2821866291984247
Energy: 0.78848340044388
Energy: 1.3588478958197423
Energy: 1.086351260500404
Energy: 1.3588478958204089
Energy: 0.70860469758012
Energy: 1.319509948376874
Energy: 0.7979961441954468
Energy: 1.319509948376874
Energy: 0.72427057980314
Energy: 1.368684002256309
Energy: 1.368821913650517
Energy: 1.368684002259642

minimum gb energy = 0.6843034666990238 eV
minimum distance =  2.17787195348319 Angstroms
sigma value = 85


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

Energy: 1.1947444210471219
Energy: 1.2656234962529291
Energy: 1.2433392624428117
Energy: 1.265623496251773
Energy: 1.7094526572551
Energy: 1.1946038444472387
Energy: 0.721326627000137
Energy: 1.1946038444622706
Energy: 1.1534652057932115
Energy: 1.1371344370525376
Energy: 1.3396520056780967
Energy: 1.1371344370531158
Energy: 1.3254917922663871
Energy: 1.177800148275614
Energy: 0.72383777265464
Energy: 1.1778001482761922
Energy: 0.8594573291705138
Energy: 1.1018873991019935
Energy: 0.8832004134579798
Energy: 1.1018873991025715
Energy: 1.1466759200783314
Energy: 1.1550824377715392
Energy: 0.6970738718203806
Energy: 1.155082437770961
Energy: 0.7661594837854513
Energy: 1.0904357913712621
Energy: 0.7797896851195797
Energy: 1.0904357913649025
Energy: 0.9635666259436346
Energy: 1.2073891414981572
Energy: 0.7916417590515599
Energy: 1.2073891415022042
Energy: 0.7911660377501026
Energy: 1.053057843670069
Energy: 0.9676322796647432
Energy: 1.0530578436712255
Energy: 0.7799893232831004
Energy: 1.11565583099011
Energy: 0.7637734605723929
Energy: 1.1156558309883755
Energy: 0.7287195896770624
Energy: 1.1755536097358659
Energy: 1.1501488334737215
Energy: 1.1755536097352877
Energy: 1.123821028725201
Energy: 1.2694223076495912
Energy: 0.8326971309202579
Energy: 1.2694223076016042
Energy: 0.7196756529892863
Energy: 1.0550636705322614
Energy: 1.5288393614180555
Energy: 1.0550636705287926
Energy: 1.3924741431925776
Energy: 1.2032864725116268
Energy: 1.1541503071473143
Energy: 1.2032864725116268
Energy: 0.7283486248837616
Energy: 1.16925658398567
Energy: 1.7368950115597153
Energy: 1.1692565839879825
Energy: 1.0483495134524479
Energy: 1.2470774354238239
Energy: 1.0951152951173804
Energy: 1.2470774354232457
Energy: 0.7199755490401131
Energy: 1.0577639962393943
Energy: 1.645445596163011
Energy: 1.057763996237082
Energy: 0.8613033118324703
Energy: 1.1910877558303128
Energy: 1.1541908511147485
Energy: 1.1910877558291564
Energy: 0.724948626920192
Energy: 1.1712588367401602
Energy: 1.529172628324566
Energy: 1.1712588367407382
Energy: 0.853935022212481
Energy: 1.4496738370218618
Energy: 0.8328542802157246
Energy: 1.4496738370201276
Energy: 0.6897506422395334
Energy: 1.0033412095948095
Energy: 1.3657139841711494
Energy: 1.0033412095942311
Energy: 0.9502381181073366
Energy: 1.1018221570270936
Energy: 0.7637629493129163
Energy: 1.10182215702825
Energy: 0.761812592535245
Energy: 1.2031768722802203
Energy: 0.963034134275657
Energy: 1.2031768722807983
Energy: 0.9633720379278361
Energy: 1.325046846910905
Energy: 0.7916796683631154
Energy: 1.325046846910905
Energy: 0.788556292699146
Energy: 1.0047516279218123
Energy: 0.7802250930726482
Energy: 1.0047516279235467
Energy: 1.3159870943023997
Energy: 1.190397802831729
Energy: 0.7862491121853181
Energy: 1.190397802831729
Energy: 0.8361239663613771
Energy: 1.2292164834403527
Energy: 0.7032821143292637
Energy: 1.2292164834397745
Energy: 1.4220958405382804
Energy: 1.330919507603268
Energy: 0.6589359766881253
Energy: 1.3309195076044247
Energy: 1.185615875656231
Energy: 1.1839951865596676
Energy: 0.6422102931461336
Energy: 1.1839951865590894
Energy: 1.7358714933138397
Energy: 1.1699268583973201
Energy: 0.7266827542343534
Energy: 1.1699268583973201
Energy: 1.1974992131693
Energy: 1.259721817759315
Energy: 0.6089613029160645
Energy: 1.259721817759893
Energy: 1.7207305933076025
Energy: 1.3046006340149596
Energy: 0.69005952591529
Energy: 1.3046006340484664
Energy: 1.1856611092383038
Energy: 1.1835129321008784
Energy: 0.6044670637956492
Energy: 1.1835129321014304
Energy: 1.4257524367636225
Energy: 1.1790786699650473
Energy: 0.7306122771880067
Energy: 1.1790786699667815
Energy: 0.8341849066178022
Energy: 1.2466957287554705
Energy: 0.8523375011472587
Energy: 1.246695728754892
Energy: 1.1969462856311808
Energy: 1.2415790958544994
Energy: 0.721599624902892
Energy: 1.2415790958544994
Energy: 0.7886599082318575
Energy: 1.1591850966408277
Energy: 0.9499795867127359
Energy: 1.1591850966414061
Energy: 1.084576598489199
Energy: 1.2072929313657916
Energy: 0.7667379515192388
Energy: 1.2072929313657916
Energy: 0.7613313359073951
Energy: 1.255870732874139
Energy: 0.9634848186975056
Energy: 1.2558707328735608
Energy: 0.7211716033186659
Energy: 1.2281789239975522
Energy: 0.8326041389331044
Energy: 1.2281789239975522
Energy: 0.7865150367912357
Energy: 1.1556979706796766
Energy: 1.3076382466206593
Energy: 1.1556979706796766
Energy: 0.7029261031106697
Energy: 1.2230528489324959
Energy: 0.9963615973436796
Energy: 1.2230528489330739
Energy: 0.7230802008678644
Energy: 1.255617999965723
Energy: 1.4137168944816039
Energy: 1.2556179999674573

minimum gb energy = 0.6044670637956492 eV
minimum distance =  2.18175443860907 Angstroms
sigma value = 113


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

Energy: 0.018635000553400106
Energy: 0.01961470028371989
Energy: 0.7905898632610153
Energy: 0.01961470028371989
Energy: 0.790287609839662
Energy: 0.317879866948171
Energy: 3.7073979136806137
Energy: 0.3178798669490599
Energy: 0.018635000553400106
Energy: 0.019614700284164347
Energy: 0.7905219388728517
Energy: 0.019614700284164347
Energy: 0.7902876098401064
Energy: 0.3178798669486154
Energy: 3.7073979136810578
Energy: 0.3178798669486154
Energy: 0.018635000553400106
Energy: 0.01961470028371989
Energy: 0.7905813229117558
Energy: 0.01961470028371989
Energy: 0.7902876098401064
Energy: 0.31787986694777587
Energy: 3.7073979136806137
Energy: 0.3178798669486154

minimum gb energy = 0.018635000553400106 eV
minimum distance =  2.5406068602393 Angstroms
sigma value = 1