Model name: model_name=Sim_LAMMPS_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.519999980926514
cohesive_energy=4.450349977697172
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.01859836294294e-19, 2.95082483743584e-19, 3.6110978500735796e-19, 4.1326063444405797e-19, 4.56549844918104e-19, 4.93415929266444e-19, 5.25268802926998e-19, 5.53024910934414e-19, 5.773315326488279e-19, 5.98678934120244e-19, 6.1744202468101795e-19, 6.33922013538342e-19, 6.483592271873159e-19, 6.609555398838239e-19, 6.718775779978019e-19, 6.812647308964079e-19, 6.892435705337279e-19, 6.95915034037704e-19, 7.01372047653108e-19, 7.0569472021164e-19, 7.089567518384639e-19, 7.112190252456719e-19, 7.1253921879208805e-19, 7.1296860213e-19, 7.125071752594079e-19, 7.11017150989788e-19, 7.08319085538132e-19, 7.04195082882216e-19, 6.983903969372339e-19, 6.905974097894579e-19, 6.804492229897019e-19, 6.67494022727178e-19, 6.5118867112296e-19, 6.308666626973039e-19, 6.057028764837e-19, 5.746719194363879e-19, 5.364888458949e-19, 4.895290487523599e-19, 4.3171290273783596e-19, 3.60351955459476e-19, 2.71927827029016e-19, 1.6177177473497999e-19, 2.3577631345944e-20, -1.5130555587337498e-19, -3.7501347383721e-19, -6.649577771155559e-19, -1.04684619088926e-18, -1.55988718174557e-18, -2.26624680526032e-18, -3.2694176611067397e-18, -4.7522161141074e-18, -6.32933470555164e-18, -7.214825687630759e-18, -8.707028917472999e-18]
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: 0.018101997857760146
Energy: 2.242713187866738
Energy: 0.9802670776272908
Energy: 0.018448757282957653
Energy: 2.2427131873559643
Energy: 1.331112885178097
Energy: 0.018448757282332875
Energy: 1.3311128851787584
Energy: 0.9802670776279158
Energy: 0.018448757282332875
Energy: 0.018101997857760146
Energy: 2.2427131877787914
Energy: 0.018448757282332875
Energy: 1.3311128851787584
Energy: 2.2427131873132957
Energy: 1.331112885178097

minimum gb energy = 0.018101997857760146 eV
minimum distance =  2.47674730373489 Angstroms
sigma value = 1


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

Energy: 1.842777386785909
Energy: 1.2616127712599698
Energy: 1.264990676504536
Energy: 1.1862265526176239
Energy: 1.215960467880711
Energy: 1.3126805882239434
Energy: 1.2170851760435988
Energy: 1.3126805882247456
Energy: 1.2647142285688646
Energy: 1.2618948407545938
Energy: 1.2148714973582564
Energy: 1.2618948407545938
Energy: 1.219778654452465
Energy: 1.3816807757818539
Energy: 1.2170763049988529
Energy: 1.3816807757834584
Energy: 1.7161797282246796
Energy: 1.2150654276661865
Energy: 1.2164936992504982
Energy: 1.2150654276661865
Energy: 1.30482733298979
Energy: 1.2991592364804294
Energy: 1.216875725116539
Energy: 1.2991592364812314
Energy: 1.2959720027573265
Energy: 1.3550168354102778
Energy: 1.2925346957670438
Energy: 1.3550168354086731
Energy: 1.295097582002545
Energy: 1.3216393719006143
Energy: 1.3422965522501218
Energy: 1.3216393719014166
Energy: 1.32452733832193
Energy: 1.4593245705619573
Energy: 1.3247257709599913
Energy: 1.4593245705619573
Energy: 1.3397558308227893
Energy: 1.4183022288150675
Energy: 1.3241436973758642
Energy: 1.4183022288150675
Energy: 1.319601908602873
Energy: 1.4592924154584133
Energy: 1.325067394060466
Energy: 1.4592924154592155
Energy: 1.2958941146756446
Energy: 1.456838812299414
Energy: 1.34209606191907
Energy: 1.456838812299414
Energy: 1.3164911476921144
Energy: 1.354615625704246
Energy: 1.2466198622209845
Energy: 1.354615625704246
Energy: 1.3046454142051314
Energy: 1.3536462777057336
Energy: 1.2973024540495681
Energy: 1.3536462777057336
Energy: 1.2468142096037034
Energy: 1.2146202521177176
Energy: 1.2149095393865303
Energy: 1.2146202521177176
Energy: 1.2629669827239465
Energy: 1.215110282202132
Energy: 1.2162744264184642
Energy: 1.215110282202132
Energy: 1.2633556830301547
Energy: 1.261660082036159
Energy: 1.1828236706142128
Energy: 1.2616600820369612
Energy: 1.2166458623491996
Energy: 1.2203460036070564
Energy: 1.2490490531554932
Energy: 1.2203460036070564
Energy: 1.2154578930839064
Energy: 1.2620648122515925
Energy: 1.263797331243107
Energy: 1.2620648122515925
Energy: 1.30450935916869
Energy: 1.2196228086353236
Energy: 1.219661960818868
Energy: 1.2196228086345215
Energy: 1.215372797577596
Energy: 1.2146021041640016
Energy: 1.2935573248849492
Energy: 1.2146021041640016
Energy: 1.2159690580844988
Energy: 1.215933311573275
Energy: 1.305230412195305
Energy: 1.2159333115740776
Energy: 1.293006247909358
Energy: 1.3537613988838104
Energy: 1.293359854864041
Energy: 1.3537613988830082
Energy: 1.342747293379262
Energy: 1.3536854624478698
Energy: 1.2952606858181426
Energy: 1.3536854624478698
Energy: 1.3235295656341757
Energy: 1.4564903877950546
Energy: 1.323822071464676
Energy: 1.4564903877950546
Energy: 1.3253618697125475
Energy: 1.4554544629346926
Energy: 1.342012334877799
Energy: 1.4554544629354949
Energy: 1.324052605818963
Energy: 1.456236772537702
Energy: 1.319819404722473
Energy: 1.456236772537702
Energy: 1.343644656650293
Energy: 1.4571255170455573
Energy: 1.3307886541966987
Energy: 1.4571255170455573
Energy: 1.2462121313931211
Energy: 1.354280929005249
Energy: 1.3173346377212949
Energy: 1.3542809290044469
Energy: 1.2967964652546269
Energy: 1.353924291901922
Energy: 1.304597841513602
Energy: 1.353924291901922
Energy: 1.2138679883833596
Energy: 1.2146321137242235
Energy: 1.2464989539565672
Energy: 1.2146321137242235
Energy: 1.2154726667665523
Energy: 1.2152678407580804
Energy: 1.2637749244369947
Energy: 1.2152678407572781
Energy: 1.183334242553447
Energy: 1.2627490317357224
Energy: 1.2642786315396801
Energy: 1.2627490317349201

minimum gb energy = 1.1828236706142128 eV
minimum distance =  2.19649623628498 Angstroms
sigma value = 1


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

Energy: 2.084818383230171
Energy: 1.328045238225265
Energy: 1.3300467227549317
Energy: 1.2427379181247549
Energy: 1.2791599274103176
Energy: 1.3788092286301046
Energy: 1.2778271472591662
Energy: 1.3788092286301046
Energy: 1.327820462585099
Energy: 1.328338115108473
Energy: 1.2790250719888425
Energy: 1.328338115108473
Energy: 1.2852263897305944
Energy: 1.4571720354700033
Energy: 1.2778439137942226
Energy: 1.457172035469089
Energy: 1.2779240726695063
Energy: 1.2777820848875445
Energy: 1.2784066834667906
Energy: 1.2777820848875445
Energy: 1.3839638659312492
Energy: 1.279049439348401
Energy: 1.2776008312507814
Energy: 1.279049439348401
Energy: 1.372550851623466
Energy: 1.4413008687502165
Energy: 1.3705667680558435
Energy: 1.4413008687493016
Energy: 1.372609027066975
Energy: 1.4428748935408267
Energy: 1.4210177019226184
Energy: 1.4428748935417413
Energy: 1.3706580929085006
Energy: 1.5426712782889889
Energy: 1.3927770208587826
Energy: 1.5426712782889889
Energy: 1.4229014424736537
Energy: 1.5070748887154026
Energy: 1.3704580232601415
Energy: 1.5070748887154026
Energy: 1.3188062730515635
Energy: 1.4413790642208981
Energy: 1.4057902396242232
Energy: 1.4413790642199833
Energy: 1.373362658371352
Energy: 1.4414647286044988
Energy: 1.3837031523487928
Energy: 1.4414647286054139
Energy: 1.2786918657159545
Energy: 1.2772666159433754
Energy: 1.3189488833693057
Energy: 1.2772666159433754
Energy: 1.278488721344038
Energy: 1.277919573159267
Energy: 1.3302764245866368
Energy: 1.277919573159267
Energy: 1.2371266464153385
Energy: 1.3276992100554343
Energy: 1.3300583383479188
Energy: 1.3276992100554343
Energy: 1.3203905905663085
Energy: 1.2845537452073568
Energy: 1.2785508658356375
Energy: 1.2845537452073568
Energy: 1.3280506398738985
Energy: 1.3288089435405748
Energy: 1.278186266818328
Energy: 1.3288089435405748
Energy: 1.283776368755837
Energy: 1.2849636093666754
Energy: 1.3835429668258976
Energy: 1.2849636093666754
Energy: 1.2788612713191625
Energy: 1.2783706314286887
Energy: 1.2793726698935817
Energy: 1.2783706314286887
Energy: 1.3840695206467697
Energy: 1.2785642202091811
Energy: 1.2790560553841217
Energy: 1.278564220210096
Energy: 1.370646265402793
Energy: 1.441438809294452
Energy: 1.369852752652763
Energy: 1.441438809294452
Energy: 1.3713173410036732
Energy: 1.441591560433984
Energy: 1.421842214732233
Energy: 1.4415915604330694
Energy: 1.3713162644151031
Energy: 1.5434075858401757
Energy: 1.3917466603192146
Energy: 1.5434075858401757
Energy: 1.4221886459379542
Energy: 1.5447794650858657
Energy: 1.4066814793942937
Energy: 1.5447794650849511
Energy: 1.3203788113865864
Energy: 1.4417366410480783
Energy: 1.407296955833752
Energy: 1.4417366410480783
Energy: 1.373186852077713
Energy: 1.442313906744983
Energy: 1.383972756311544
Energy: 1.4423139067458977
Energy: 1.277353294791177
Energy: 1.277162668741406
Energy: 1.3190139715869678
Energy: 1.277162668741406
Energy: 1.2782243891249725
Energy: 1.277687774227775
Energy: 1.3306122270502976
Energy: 1.277687774227775
Energy: 1.2375890874274529
Energy: 1.3292577597527935
Energy: 1.3310746797783188
Energy: 1.3292577597518789

minimum gb energy = 1.2371266464153385 eV
minimum distance =  2.19857010451349 Angstroms
sigma value = 25


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

Energy: 1.9940247684690833
Energy: 1.4016017125449376
Energy: 1.4015842671515366
Energy: 1.3027928810525078
Energy: 1.3500132331263057
Energy: 1.44980257696119
Energy: 1.3495430468938214
Energy: 1.44980257696119
Energy: 1.4005375198463628
Energy: 1.4019427015530266
Energy: 1.3527805475290475
Energy: 1.4019427015530266
Energy: 1.3577047562344338
Energy: 1.449956914384333
Energy: 1.3501175926593836
Energy: 1.449956914384333
Energy: 1.3493898805612086
Energy: 1.3494591748620344
Energy: 1.3508004598693102
Energy: 1.3494591748620344
Energy: 1.4780838456423233
Energy: 1.3505598849103293
Energy: 1.349434188544538
Energy: 1.3505598849103293
Energy: 1.4561401474415308
Energy: 1.547178813414457
Energy: 1.4560068598304559
Energy: 1.547178813414457
Energy: 1.4517184056921957
Energy: 1.5521727470121207
Energy: 1.516459589938014
Energy: 1.5521727470121207
Energy: 1.4582149208485335
Energy: 1.5471542232943443
Energy: 1.4082268546651704
Energy: 1.5471542232943443
Energy: 1.4779924563913769
Energy: 1.5474020457089515
Energy: 1.3490821764067933
Energy: 1.5474020457089515
Energy: 1.2940015310035853
Energy: 1.3493855514804105
Energy: 1.3513323260806906
Energy: 1.3493855514804105
Energy: 1.4054807905239077
Energy: 1.3493202268859696
Energy: 1.350046965469196
Energy: 1.3493202268859696
Energy: 1.403090999978322
Energy: 1.4011452372630313
Energy: 1.2937526582992422
Energy: 1.4011452372630313
Energy: 1.3496038941449124
Energy: 1.3579512566004395
Energy: 1.404329999695193
Energy: 1.3579512566004395
Energy: 1.3797440784096993
Energy: 1.4023733674875491
Energy: 1.4020740182951372
Energy: 1.4023733674875491
Energy: 1.5176972353232632
Energy: 1.3578223076837832
Energy: 1.403675202173277
Energy: 1.3578223076837832
Energy: 1.3509076399570032
Energy: 1.3493384638525319
Energy: 1.3509290267997704
Energy: 1.3493384638525319
Energy: 1.3490911880578718
Energy: 1.3489497322066615
Energy: 1.4784768919473041
Energy: 1.3489497322066615
Energy: 1.4556109184250112
Energy: 1.547114610508628
Energy: 1.4584912010720283
Energy: 1.547114610508628
Energy: 1.5178427875931693
Energy: 1.5475082913135454
Energy: 1.477543673143846
Energy: 1.5475082913135454
Energy: 1.405180484287173
Energy: 1.5473764688181488
Energy: 1.456907727669829
Energy: 1.547376468819212
Energy: 1.404935344544801
Energy: 1.5473626548698147
Energy: 1.4784159823514273
Energy: 1.5473626548698147
Energy: 1.3498823416446866
Energy: 1.3489672552018197
Energy: 1.2942945239408605
Energy: 1.3489672552018197
Energy: 1.350234852541778
Energy: 1.3490519223228299
Energy: 1.2935198355540927
Energy: 1.3490519223228299
Energy: 1.294159846650584
Energy: 1.403270209906112
Energy: 1.4043141475717222
Energy: 1.403270209906112

minimum gb energy = 1.2935198355540927 eV
minimum distance =  2.2040556106361 Angstroms
sigma value = 9


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

Energy: 1.8617610459823646
Energy: 1.4798736532960834
Energy: 1.480785104595523
Energy: 1.3658078167708902
Energy: 1.4799847325523476
Energy: 1.521522959259703
Energy: 1.43546357408593
Energy: 1.521522959259703
Energy: 1.4803401463182793
Energy: 1.4802257292830943
Energy: 1.4787953558146636
Energy: 1.4802257292830943
Energy: 1.481223502474621
Energy: 1.5224227082394122
Energy: 1.4352535832258053
Energy: 1.5224227082394122
Energy: 1.482520788507149
Energy: 1.4341312430714732
Energy: 1.4372327127206777
Energy: 1.4341312430714732
Energy: 1.6027365913199068
Energy: 1.4358849094107962
Energy: 1.4343861588978812
Energy: 1.4358849094107962
Energy: 1.5181506986930264
Energy: 1.6352946429192974
Energy: 1.4845057230735172
Energy: 1.6352946429192974
Energy: 1.4365900164294312
Energy: 1.6381429205055318
Energy: 1.6019734744082872
Energy: 1.6381429205055318
Energy: 1.4341173354877303
Energy: 1.4348665761585784
Energy: 1.3489219713488791
Energy: 1.4348665761585784
Energy: 1.4351347688317693
Energy: 1.4346392905927228
Energy: 1.3489366080450993
Energy: 1.4346392905927228
Energy: 1.349894066290934
Energy: 1.4798627718062436
Energy: 1.4799440016333965
Energy: 1.4798627718062436
Energy: 1.5161308716712318
Energy: 1.4451009091413645
Energy: 1.4800973954688506
Energy: 1.4451009091426326
Energy: 1.4837743954991498
Energy: 1.479490105836963
Energy: 1.4794115499109979
Energy: 1.479490105836963
Energy: 1.4813740904386634
Energy: 1.4458963971581444
Energy: 1.6279616743156853
Energy: 1.4458963971581444
Energy: 1.4826212855933236
Energy: 1.4340927467916051
Energy: 1.434216718843998
Energy: 1.4340927467916051
Energy: 1.6019127584319222
Energy: 1.4346967688343841
Energy: 1.434249843055412
Energy: 1.4346967688343841
Energy: 1.5166507021348827
Energy: 1.6369392717171392
Energy: 1.4845068499649854
Energy: 1.6369392717171392
Energy: 1.5171068234295724
Energy: 1.6346676715831938
Energy: 1.6020400006727653
Energy: 1.6346676715831938
Energy: 1.4328978344322882
Energy: 1.4346763144146826
Energy: 1.3491566839279472
Energy: 1.4346763144146826
Energy: 1.4353592071599195
Energy: 1.4340005576757284
Energy: 1.3484810361622204
Energy: 1.4340005576757284
Energy: 1.350486063442145
Energy: 1.4813651175316949
Energy: 1.4808533522003366
Energy: 1.4813651175316949

minimum gb energy = 1.3484810361622204 eV
minimum distance =  2.21315175129477 Angstroms
sigma value = 25


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

Energy: 1.68085872490387
Energy: 1.5711097763683401
Energy: 1.5722774980148544
Energy: 1.43143778440508
Energy: 1.5706854986038237
Energy: 1.5430817180585672
Energy: 1.570462651827644
Energy: 1.5430817180569982
Energy: 1.5718449623769966
Energy: 1.5714613106323188
Energy: 1.569014504605197
Energy: 1.5714613106323188
Energy: 1.5709047648066354
Energy: 1.5430420384010617
Energy: 1.4610339854514829
Energy: 1.5430420384010617
Energy: 1.5439240294942365
Energy: 1.5478170339444002
Energy: 1.548271762701502
Energy: 1.547817033945969
Energy: 1.4199532457486594
Energy: 1.5496507074841679
Energy: 1.4603551906060008
Energy: 1.5496507074841679
Energy: 1.670787215245429
Energy: 1.5493191098143277
Energy: 1.5455492215746762
Energy: 1.549319109812759
Energy: 1.4112331406866012
Energy: 1.6480074321503717
Energy: 1.4612611610192119
Energy: 1.6480074321503717
Energy: 1.5703470947186497
Energy: 1.5710598679152468
Energy: 1.7209267359180196
Energy: 1.5710598679152468
Energy: 1.5709176783622245
Energy: 1.5702425379723093
Energy: 1.7207243678535793
Energy: 1.5702425379707408
Energy: 1.5694700833370925
Energy: 1.5706126104452307
Energy: 1.5773150597461538
Energy: 1.5706126104452307
Energy: 1.5699712745742231
Energy: 1.570694110036411
Energy: 1.5703055988719268
Energy: 1.570694110036411
Energy: 1.4614309681919904
Energy: 1.6500987863590018
Energy: 1.5439860771022629
Energy: 1.6500987863590018
Energy: 1.5487285037909828
Energy: 1.5501296991085893
Energy: 1.4204677592190806
Energy: 1.5501296991070204
Energy: 1.5474407408899045
Energy: 1.5502953647199789
Energy: 1.6669659593067676
Energy: 1.5502953647199789
Energy: 1.4602154500331304
Energy: 1.649805703224556
Energy: 1.6683149096044847
Energy: 1.649805703224556
Energy: 1.7221608253975984
Energy: 1.570853336364422
Energy: 1.5694262618671209
Energy: 1.5708533363628532

minimum gb energy = 1.4112331406866012 eV
minimum distance =  2.22155446224043 Angstroms
sigma value = 17


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

Energy: 2.194543322750983
Energy: 1.710572786802365
Energy: 1.7109118376753358
Energy: 1.625479438444629
Energy: 1.6361548326565816
Energy: 1.5406416929032767
Energy: 1.7315610298166533
Energy: 1.540641692902388
Energy: 1.5396061121501
Energy: 1.5398869310416292
Energy: 1.7064206863422822
Energy: 1.5398869310416292
Energy: 1.539612663194146
Energy: 1.5399284086647256
Energy: 1.6954461255712994
Energy: 1.5399284086629488
Energy: 1.6361437657365598
Energy: 1.7026629711686556
Energy: 1.617864844718647
Energy: 1.7026629711686556
Energy: 1.5394808111396465
Energy: 1.705563061652284
Energy: 1.6333491332828494
Energy: 1.7055630616531727
Energy: 1.6123332234406773
Energy: 1.5377357396825837
Energy: 1.5424651238981322
Energy: 1.5377357396825837
Energy: 1.808967588499723
Energy: 1.5376744137708902
Energy: 1.538529062890104
Energy: 1.5376744137717788
Energy: 1.7182792145410017
Energy: 1.7078419640677387
Energy: 1.709678638428627
Energy: 1.7078419640677387
Energy: 1.7094580273751174
Energy: 1.7099787601139276
Energy: 1.7095186835357923
Energy: 1.7099787601148162
Energy: 1.6336704935601891
Energy: 1.542935030666797
Energy: 1.5432024108220326
Energy: 1.542935030666797
Energy: 1.711296009071433
Energy: 1.542977574346873
Energy: 1.5425808877610692
Energy: 1.542977574346873
Energy: 1.6078101173592323
Energy: 1.5420917860367633
Energy: 1.5417098792917965
Energy: 1.5420917860367633
Energy: 1.6122085926324317
Energy: 1.5414435388376342
Energy: 1.50067966747581
Energy: 1.5414435388420766
Energy: 1.7113966862079781
Energy: 1.7099480457757463
Energy: 1.8036062993581075
Energy: 1.7099480457757463
Energy: 1.7228789431094902
Energy: 1.708773487940277
Energy: 1.8016239170617765
Energy: 1.7087734879411656
Energy: 1.7085450271130542
Energy: 1.5384590552315236
Energy: 1.5391418534763979
Energy: 1.5384590552315236
Energy: 1.7075751873934824
Energy: 1.538438638591418
Energy: 1.536807739513895
Energy: 1.538438638591418
Energy: 1.5383922553682126
Energy: 1.703395214763526
Energy: 1.6360666634824295
Energy: 1.703395214763526
Energy: 1.6125783796036723
Energy: 1.7053405808096933
Energy: 1.634597703100218
Energy: 1.7053405808105815
Energy: 1.539097486829882
Energy: 1.5382116550121956
Energy: 1.8105356740684992
Energy: 1.5382116550121956
Energy: 1.539461446394124
Energy: 1.5412241232896529
Energy: 1.61123821628509
Energy: 1.5412241232905413
Energy: 1.7090111806389154
Energy: 1.7105055608554625
Energy: 1.7263555013275824
Energy: 1.7105055608545736
Energy: 1.7098461954012485
Energy: 1.708109866961153
Energy: 1.7066341725052698
Energy: 1.708109866961153
Energy: 1.50266808616146
Energy: 1.5412345760140307
Energy: 1.7102775893571391
Energy: 1.5412345760131423
Energy: 1.5423846966774537
Energy: 1.5426851285638175
Energy: 1.634416356809046
Energy: 1.5426851285638175
Energy: 1.5011006703429755
Energy: 1.6313761752299563
Energy: 1.6435608134104371
Energy: 1.6313761752308447
Energy: 1.5439149199194986
Energy: 1.5427499271389118
Energy: 1.6065920955279605
Energy: 1.5427499271389118
Energy: 1.543163561901216
Energy: 1.774706785764901
Energy: 1.6068673977932926
Energy: 1.774706785764901
Energy: 1.8006536025219688
Energy: 1.7078324719989255
Energy: 1.708153675503844
Energy: 1.7078324719998141

minimum gb energy = 1.50067966747581 eV
minimum distance =  2.1930224954082 Angstroms
sigma value = 53


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

Energy: 1.9974832171133476
Energy: 1.6370352349545125
Energy: 1.6380321563260065
Energy: 1.4526078331075374
Energy: 1.616935176885736
Energy: 1.6185101756619296
Energy: 1.616840154414737
Energy: 1.6185101756619296
Energy: 1.616319643712976
Energy: 1.6177616684527645
Energy: 1.66676737961435
Energy: 1.6177616684527645
Energy: 1.6181198724841617
Energy: 1.5420812550947816
Energy: 1.6156869620033276
Energy: 1.5420812550947816
Energy: 1.6445454895816078
Energy: 1.5395167631578617
Energy: 1.4231337054896704
Energy: 1.5395167631578617
Energy: 1.616652429479708
Energy: 1.5404856956827637
Energy: 1.423436427719227
Energy: 1.5404856956827637
Energy: 1.7976770367035053
Energy: 1.6165954607030566
Energy: 1.617080322510728
Energy: 1.6165954607030566
Energy: 1.7970927273760138
Energy: 1.6151524869769727
Energy: 1.6151066231882203
Energy: 1.6151524869769727
Energy: 1.616465258139093
Energy: 1.6167009053791095
Energy: 1.6686453958089702
Energy: 1.6167009053791095
Energy: 1.6154440441479037
Energy: 1.6160688427689438
Energy: 1.6170457106307294
Energy: 1.6160688427689438
Energy: 1.6454055275708888
Energy: 1.5411341529499696
Energy: 1.4236069210047417
Energy: 1.541134152952015
Energy: 1.619343949332681
Energy: 1.539136031915379
Energy: 1.422964886223877
Energy: 1.539136031915379
Energy: 1.7979675989799706
Energy: 1.6162160808168498
Energy: 1.6138584798688518
Energy: 1.6162160808168498

minimum gb energy = 1.422964886223877 eV
minimum distance =  2.22200472303651 Angstroms
sigma value = 9


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

Energy: 1.9517991979695253
Energy: 1.819997890076066
Energy: 1.8237697156926174
Energy: 1.7109183779678951
Energy: 1.6749089301455786
Energy: 1.5418309630884928
Energy: 1.8083340741433251
Energy: 1.541830963087736
Energy: 1.5431136212345296
Energy: 1.5433450834263165
Energy: 1.8166912915354243
Energy: 1.5433450834263165
Energy: 1.5427402728210626
Energy: 1.5435803085365165
Energy: 1.8913948181527782
Energy: 1.5435803085365165
Energy: 1.5461048541657665
Energy: 1.541520226739141
Energy: 1.9140606751136093
Energy: 1.541520226739141
Energy: 1.5724742457896517
Energy: 1.5419314840326985
Energy: 1.8752598150470816
Energy: 1.5419314840304272
Energy: 1.8078419005503576
Energy: 1.7824845747713045
Energy: 1.8124812452634407
Energy: 1.7824845747720617
Energy: 1.808763456451938
Energy: 1.7805337642162948
Energy: 1.7823171385623093
Energy: 1.7805337642162948
Energy: 1.629745364124669
Energy: 1.7180112075319505
Energy: 1.624332946410925
Energy: 1.7180112075327076
Energy: 1.5288821454547858
Energy: 1.626302117121302
Energy: 1.785384418079373
Energy: 1.626302117121302
Energy: 1.6189266966677514
Energy: 1.6189988462264557
Energy: 1.687944391243546
Energy: 1.6189988462256986
Energy: 1.621316235186994
Energy: 1.704455247213018
Energy: 1.9107174118417005
Energy: 1.7044552472145322
Energy: 1.8086510391009412
Energy: 1.6194551222210447
Energy: 1.6210055579139453
Energy: 1.6194551222218019
Energy: 1.8080825577728676
Energy: 1.6203062445011445
Energy: 1.6216137245695663
Energy: 1.6203062445019014
Energy: 1.7831999949314143
Energy: 1.6275466854444338
Energy: 1.6332479227674992
Energy: 1.6275466854444338
Energy: 1.7184338569453865
Energy: 1.7071220857708795
Energy: 1.6305639358781547
Energy: 1.7071220857708795
Energy: 1.7828336683218193
Energy: 1.7097360371121508
Energy: 1.6804710268340781
Energy: 1.7097360371121508
Energy: 1.783745816251901
Energy: 1.784817037181013
Energy: 1.9044873036212846
Energy: 1.784817037181013
Energy: 1.807837263874194
Energy: 1.7811396071698586
Energy: 1.7933931681061772
Energy: 1.7811396071698586
Energy: 1.8208633547786692
Energy: 1.543704118098445
Energy: 1.5433407538517736
Energy: 1.543704118098445
Energy: 1.8083182396672581
Energy: 1.5426355821153117
Energy: 1.5434785508533357
Energy: 1.5426355821153117
Energy: 1.8767211874749643
Energy: 1.5408561558144924
Energy: 1.5428757426343978
Energy: 1.5408561558137355
Energy: 1.8765322446924735
Energy: 1.5418885831290174
Energy: 1.5793864260627493
Energy: 1.5418885831282607
Energy: 1.8153957136504666
Energy: 1.7821187886390841
Energy: 1.8083159997061489
Energy: 1.7821187886390841
Energy: 1.7827336119076467
Energy: 1.7809259505910837
Energy: 1.8095111573751983
Energy: 1.7809259505910837
Energy: 1.6264263856090604
Energy: 1.8153478006171229
Energy: 1.621980697401906
Energy: 1.8153478006186368
Energy: 1.7845820269933517
Energy: 1.6268146953410507
Energy: 1.527891822254594
Energy: 1.6268146953410507
Energy: 1.6848876155570094
Energy: 1.6187069397854943
Energy: 1.6205029875696828
Energy: 1.6187069397854943
Energy: 1.907393044061304
Energy: 1.6245352095701644
Energy: 1.6205615227375707
Energy: 1.6245352095709216
Energy: 1.6210488533913057
Energy: 1.6191387228307061
Energy: 1.8081589202730555
Energy: 1.6191387228307061
Energy: 1.6204186157111544
Energy: 1.6207851632788746
Energy: 1.815527522576922
Energy: 1.6207851632788746
Energy: 1.620549978941384
Energy: 1.6292392324344867
Energy: 1.7839514188683077
Energy: 1.6292392324344867
Energy: 1.6280323424086045
Energy: 1.7103992015481904
Energy: 1.7194703961990438
Energy: 1.7103992015489473
Energy: 1.6200592947699746
Energy: 1.7069002256263828
Energy: 1.6859329662668239
Energy: 1.7069002256256258
Energy: 1.912824711527888
Energy: 1.7859606563977954
Energy: 1.784121282528445
Energy: 1.7859606563977954

minimum gb energy = 1.527891822254594 eV
minimum distance =  2.20798475042705 Angstroms
sigma value = 73


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

Energy: 1.8617816520295432
Energy: 1.7108311668875607
Energy: 1.7138349084587334
Energy: 1.6072885318519199
Energy: 1.5921538559478783
Energy: 1.8360493070245298
Energy: 1.7534086902907218
Energy: 1.8360493070245298
Energy: 1.5510680315065677
Energy: 1.5532664764549675
Energy: 1.688162131805808
Energy: 1.5532664764549675
Energy: 1.551566652617258
Energy: 1.5515212060036427
Energy: 1.8543412790425517
Energy: 1.551521206002442
Energy: 1.5520135734796823
Energy: 1.5508146024546237
Energy: 1.8517717668830243
Energy: 1.5508146024546237
Energy: 1.5919591636647663
Energy: 1.551618456310021
Energy: 1.8440215494013272
Energy: 1.551618456310021
Energy: 1.7540740151803529
Energy: 1.7128355088847644
Energy: 1.7535699687394564
Energy: 1.7128355088847644
Energy: 1.7522080029798262
Energy: 1.7102497228726292
Energy: 1.7101930633454123
Energy: 1.7102497228726292
Energy: 1.7112455939638016
Energy: 1.7023441663916072
Energy: 1.7005565269784313
Energy: 1.7023441663904062
Energy: 1.5279784363023334
Energy: 1.7135105436769875
Energy: 1.7125496024575064
Energy: 1.713510543675786
Energy: 1.7094297956516524
Energy: 1.710305171614098
Energy: 1.5661963425395158
Energy: 1.710305171614098
Energy: 1.7544327480926394
Energy: 1.75376536276989
Energy: 1.8440579849470424
Energy: 1.75376536276989
Energy: 1.7127388435330857
Energy: 1.5518201291743663
Energy: 1.592097015338372
Energy: 1.5518201291743663
Energy: 1.688961283389062
Energy: 1.5519656417074834
Energy: 1.5509403230465293
Energy: 1.5519656417074834
Energy: 1.8546603363591865
Energy: 1.5513785602855639
Energy: 1.553036370858464
Energy: 1.5513785602855639
Energy: 1.8586449078405072
Energy: 1.5527470011767863
Energy: 1.5528293117133982
Energy: 1.5527470011767863
Energy: 1.8443870750029727
Energy: 1.833804520448045
Energy: 1.591662072327805
Energy: 1.833804520448045
Energy: 1.7528255680438933
Energy: 1.7526722062932967
Energy: 1.7533783283458177
Energy: 1.7526722062932967
Energy: 1.7123321478296218
Energy: 1.7084771591606673
Energy: 1.7515475597856223
Energy: 1.7084771591594663
Energy: 1.7042290051374078
Energy: 1.6650657506973139
Energy: 1.7211830149336513
Energy: 1.6650657506973139
Energy: 1.712049650057256
Energy: 1.7050495256270024
Energy: 1.529980728788017
Energy: 1.7050495256258011
Energy: 1.8420187096060365
Energy: 1.7111697362731608
Energy: 1.7111378965861457
Energy: 1.7111697362731608

minimum gb energy = 1.5279784363023334 eV
minimum distance =  2.20910216837208 Angstroms
sigma value = 7


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

Energy: 2.015891222220159
Energy: 1.7255474985541337
Energy: 1.7268753188346067
Energy: 1.657630784323606
Energy: 1.6091611308774558
Energy: 1.6993043645600796
Energy: 1.8591057419769583
Energy: 1.6993043645600796
Energy: 1.5633534703280705
Energy: 1.7713295766789396
Energy: 1.674544165796862
Energy: 1.7713295766806383
Energy: 1.5636819992768256
Energy: 1.5627580435737796
Energy: 1.8672271215418836
Energy: 1.5627580435746287
Energy: 1.597358882739439
Energy: 1.5946045541853597
Energy: 1.7898976301242122
Energy: 1.5946045541853597
Energy: 1.5969241992896093
Energy: 1.5941579314762404
Energy: 1.7926029426595158
Energy: 1.5941579314762404
Energy: 1.8567762946534858
Energy: 1.5951269050521366
Energy: 1.5978084142339388
Energy: 1.5951269050504377
Energy: 1.8612894579255894
Energy: 1.594321775461059
Energy: 1.5926978660718454
Energy: 1.594321775461059
Energy: 1.8639984337172444
Energy: 1.5614323205922116
Energy: 1.5625699367608719
Energy: 1.5614323205913625
Energy: 1.793173405683412
Energy: 1.778524752785053
Energy: 1.610864688804767
Energy: 1.7785247527842036
Energy: 1.8588449363418285
Energy: 1.7261210110192322
Energy: 1.5928817474393913
Energy: 1.7261210110192322
Energy: 1.7279531486034319
Energy: 1.7288397542616036
Energy: 1.855871757790934
Energy: 1.728839754262453
Energy: 1.7240352735981679
Energy: 1.683600209549771
Energy: 1.6095428305660144
Energy: 1.683600209549771
Energy: 1.6798359305656165
Energy: 1.6548549095642264
Energy: 1.5589567130291646
Energy: 1.654854909563377
Energy: 1.7268485862767882
Energy: 1.6833324109023995
Energy: 1.6066134967703631
Energy: 1.6833324109032488
Energy: 1.6240326799185325
Energy: 1.7361126039471908
Energy: 1.7349979437078746
Energy: 1.7361126039471908
Energy: 1.624116243444463
Energy: 1.7254704074729668
Energy: 1.8680346953425042
Energy: 1.7254704074729668
Energy: 1.611700279349176
Energy: 1.7772388705293614
Energy: 1.6752085120154725
Energy: 1.777238870528512
Energy: 1.559733057898136
Energy: 1.5622172149843103
Energy: 1.860034220150869
Energy: 1.5622172149851596
Energy: 1.5941555168143922
Energy: 1.5935451510078977
Energy: 1.8757973607098852
Energy: 1.5935451510070486
Energy: 1.5970247923598346
Energy: 1.5950109020019865
Energy: 1.7870474230728302
Energy: 1.5950109020028358
Energy: 1.8603172852743581
Energy: 1.594609479360609
Energy: 1.5962071519115755
Energy: 1.594609479360609
Energy: 1.8597192008556174
Energy: 1.5953388507317965
Energy: 1.5962413404199716
Energy: 1.5953388507317965
Energy: 1.8580549766018872
Energy: 1.5627092788127148
Energy: 1.5628611353264372
Energy: 1.5627092788118655
Energy: 1.791630157092688
Energy: 1.563240004235344
Energy: 1.563504104664018
Energy: 1.5632400042361936
Energy: 1.822981749274602
Energy: 1.7803926456287908
Energy: 1.6094416256483755
Energy: 1.78039264562964
Energy: 1.7252841388850142
Energy: 1.7254374868073297
Energy: 2.08825101939777
Energy: 1.7254374868064806
Energy: 1.7267188476202284
Energy: 1.7188483663108802
Energy: 1.6094900731678738
Energy: 1.7188483663117295
Energy: 1.67465440733383
Energy: 1.658054129448713
Energy: 1.704065723630199
Energy: 1.6580541294495623
Energy: 1.726828781800946
Energy: 1.6800982879069128
Energy: 1.5631142858427642
Energy: 1.6800982879052142
Energy: 1.6233008637715325
Energy: 1.7352063891540268
Energy: 1.7392280729578344
Energy: 1.7352063891523284

minimum gb energy = 1.5589567130291646 eV
minimum distance =  2.19853192868876 Angstroms
sigma value = 29


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

Energy: 1.4385808082786016
Energy: 1.6562025918635668
Energy: 1.600176097654136
Energy: 1.4406700302813416
Energy: 1.598672337896019
Energy: 1.70559600848824
Energy: 1.529619580385165
Energy: 1.70559600848824
Energy: 1.5994091353735325
Energy: 1.6531735278834392
Energy: 1.5120375030726203
Energy: 1.6531735278834392
Energy: 1.5269644016335453
Energy: 1.4765576251629653
Energy: 1.5973949069101925
Energy: 1.4765576251632613
Energy: 1.527742415328274
Energy: 1.5268277270035844
Energy: 1.4446720080306508
Energy: 1.52682772700388
Energy: 1.5967311796003831
Energy: 1.6535332700661771
Energy: 1.4442054561097375
Energy: 1.6535332700661771
Energy: 1.5149932898851908
Energy: 1.6516013198320052
Energy: 1.5975314085937582
Energy: 1.6516013198314132
Energy: 1.5300854392113186
Energy: 1.5248763044445246
Energy: 1.5830714048288894
Energy: 1.5248763044445246
Energy: 1.5808318089515416
Energy: 1.5236519286038728
Energy: 1.5251186068068172
Energy: 1.5236519286030181

minimum gb energy = 1.4385808082786016 eV
minimum distance =  2.22151563503855 Angstroms
sigma value = 5


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

Energy: 1.8846431579188099
Energy: 1.4468139950516257
Energy: 1.726135297153941
Energy: 1.4326095675484392
Energy: 1.77147682922138
Energy: 1.4480892677787731
Energy: 1.7184842168128063
Energy: 1.4480892677795754
Energy: 1.671460702392436
Energy: 1.554857332366327
Energy: 1.6605193527499849
Energy: 1.554857332366327
Energy: 1.4627150148787322
Energy: 1.443006584848968
Energy: 1.6708979585315085
Energy: 1.4430065848481652
Energy: 1.6875989529423003
Energy: 1.4640175329766383
Energy: 1.65899955185091
Energy: 1.4640175329742313
Energy: 1.4624025345599279
Energy: 1.4630514879072511
Energy: 1.6600610547332275
Energy: 1.4630514879080536
Energy: 1.4512843504672723
Energy: 1.4456582450124378
Energy: 1.8189344052160028
Energy: 1.4456582450124378
Energy: 1.4608157376785909
Energy: 1.4481060258551655
Energy: 1.859670588354196
Energy: 1.4481060258543632
Energy: 1.763139812390941
Energy: 1.720441154883568
Energy: 1.8583249249319134
Energy: 1.720441154883568
Energy: 1.66979859454632
Energy: 1.4409871687310085
Energy: 1.4462056386455522
Energy: 1.4409871687310085
Energy: 1.7597805212257391
Energy: 1.4363124627975408
Energy: 1.445602572451622
Energy: 1.4363124627975408
Energy: 1.8563042111319537
Energy: 1.426139678942208
Energy: 1.43685806993858
Energy: 1.426139678942208
Energy: 1.8537938143892467
Energy: 1.4268187242077432
Energy: 1.770084873264168
Energy: 1.4268187242085457
Energy: 1.7692824175300375
Energy: 1.5113852793469096
Energy: 1.6579248095715025
Energy: 1.5113852793469096
Energy: 1.4456276809508812
Energy: 1.4441355586587126
Energy: 1.6623716854638946
Energy: 1.4441355586587126
Energy: 1.4456939761931118
Energy: 1.447620220938357
Energy: 1.7694795871771076
Energy: 1.4476202209391593
Energy: 1.4433201441705028
Energy: 1.4449938455988456
Energy: 1.457492217365479
Energy: 1.4449938455980433
Energy: 1.7206565572489267
Energy: 1.4621199995739032
Energy: 1.7539977927289538
Energy: 1.4621199995747054
Energy: 1.6624351929040573
Energy: 1.5581437167323708
Energy: 1.6449856616671965
Energy: 1.55814371673558
Energy: 1.6704500543991248
Energy: 1.4426326774812754
Energy: 1.4585753353227942
Energy: 1.4426326774820777
Energy: 1.6614598779588061
Energy: 1.461928585907823
Energy: 1.6470420031325397
Energy: 1.4619285859070208
Energy: 1.6581462537268168
Energy: 1.5065524725366939
Energy: 1.5073599756641334
Energy: 1.5065524725366939
Energy: 1.820762110510869
Energy: 1.443671838045376
Energy: 1.444678033661994
Energy: 1.443671838045376
Energy: 1.8578573151434126
Energy: 1.446334375189594
Energy: 1.4644325886442668
Energy: 1.446334375189594
Energy: 1.8581034282122129
Energy: 1.5231222360543561
Energy: 1.760062441926952
Energy: 1.5231222360543561
Energy: 1.4439364969336352
Energy: 1.444866932450317
Energy: 1.669831716078923
Energy: 1.444866932450317
Energy: 1.44659864288258
Energy: 1.4442550524145108
Energy: 1.7628942821911888
Energy: 1.4442550524137086
Energy: 1.4377529097623598
Energy: 1.4391621513956643
Energy: 1.4589007216946106
Energy: 1.4391621513956643
Energy: 1.4485699415080353
Energy: 1.427640786557226
Energy: 1.8563954059749088
Energy: 1.4276407865580283
Energy: 1.6605318015335522
Energy: 1.520747674531317
Energy: 1.7709766362210702
Energy: 1.5207476745305146
Energy: 1.6593525119109152
Energy: 1.4457984420108383
Energy: 1.448901783021599
Energy: 1.4457984420108383
Energy: 1.7693522722718682
Energy: 1.4449574328397776
Energy: 1.4483083628554763
Energy: 1.4449574328397776
Energy: 1.4604954703519313
Energy: 1.4444019820002465
Energy: 1.4421179174335903
Energy: 1.4444019820002465

minimum gb energy = 1.426139678942208 eV
minimum distance =  2.1856502439017 Angstroms
sigma value = 1


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

Energy: 1.9899288360407756
Energy: 1.3983648968862388
Energy: 1.3909983264735135
Energy: 1.3802358226172209
Energy: 1.8394040842407262
Energy: 1.388418268005744
Energy: 1.6577912360199833
Energy: 1.388418268005744
Energy: 1.6576872930209374
Energy: 1.5283131847280864
Energy: 1.6727814765273057
Energy: 1.5283131847280864
Energy: 1.3981404645005409
Energy: 1.3822737066306243
Energy: 1.6608239726954912
Energy: 1.3822737066306243
Energy: 1.6369080186671965
Energy: 1.3978069706740073
Energy: 1.666302981113938
Energy: 1.3978069706740073
Energy: 1.3987043192847664
Energy: 1.3977523070634947
Energy: 1.6670986800054064
Energy: 1.3977523070634947
Energy: 1.3952581435361204
Energy: 1.3824398476645825
Energy: 1.838585696707686
Energy: 1.3824398476645825
Energy: 1.4072237093168252
Energy: 1.4019782482969052
Energy: 1.9233616413677583
Energy: 1.4019782482980145
Energy: 1.840021720533511
Energy: 1.4986362315484498
Energy: 1.8714017408361594
Energy: 1.4986362315484498
Energy: 1.6921642969918387
Energy: 1.396839218590711
Energy: 1.3892424390016578
Energy: 1.396839218590711
Energy: 1.8391842382099735
Energy: 1.3829276480809631
Energy: 1.3898090579728206
Energy: 1.3829276480809631
Energy: 1.9176039886436098
Energy: 1.398788727941735
Energy: 1.3851715795810688
Energy: 1.398788727941735
Energy: 1.916745130813813
Energy: 1.383692061756692
Energy: 1.385597171378949
Energy: 1.3836920617578012
Energy: 1.8374779820691205
Energy: 1.3828570409014906
Energy: 1.6741449725643165
Energy: 1.3828570409014906
Energy: 1.3971863376440627
Energy: 1.5274527839436518
Energy: 1.6784118261065435
Energy: 1.5274527839436518
Energy: 1.3970785242781394
Energy: 1.3851940536571112
Energy: 1.8388665011099654
Energy: 1.3851940536582203
Energy: 1.3991908945564944
Energy: 1.3944880667254604
Energy: 1.663164306176256
Energy: 1.3944880667254604
Energy: 1.4052351393183304
Energy: 1.405052995704585
Energy: 1.6513725563987094
Energy: 1.4050529957023665
Energy: 1.3947389489313664
Energy: 1.3957797835813242
Energy: 1.8762362549685774
Energy: 1.3957797835813242
Energy: 1.3991858651221902
Energy: 1.4924398588827579
Energy: 1.9232341270668052
Energy: 1.492439858883867
Energy: 1.6666298187959288
Energy: 1.4791409021715296
Energy: 1.8390745128036547
Energy: 1.4791409021715296
Energy: 1.6636045282970047
Energy: 1.3864923710013675
Energy: 1.3854615072959668
Energy: 1.3864923710013675
Energy: 1.8382025749858564
Energy: 1.3832169428535925
Energy: 1.3833834690998212
Energy: 1.3832169428535925
Energy: 1.9168283424532617
Energy: 1.3838309489363
Energy: 1.383083188932707
Energy: 1.3838309489363

minimum gb energy = 1.3802358226172209 eV
minimum distance =  2.1937221764146 Angstroms
sigma value = 17


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

Energy: 2.1056148078858055
Energy: 1.3644685414476285
Energy: 1.6824957781577143
Energy: 1.3538949480025586
Energy: 1.5777366221900615
Energy: 1.3590593216479874
Energy: 1.5538880822849654
Energy: 1.3590593216479874
Energy: 1.735562328739674
Energy: 1.3556734019414096
Energy: 1.5443510793918767
Energy: 1.3556734019393528
Energy: 1.712752573496413
Energy: 1.4396500874515925
Energy: 1.57563433769552
Energy: 1.439650087450907
Energy: 1.7134255031659973
Energy: 1.3433474899919264
Energy: 1.856549047666197
Energy: 1.343347489992612
Energy: 1.34456097006233
Energy: 1.3429806167976357
Energy: 1.8592489167968898
Energy: 1.3429806167976357
Energy: 1.3452420396927878
Energy: 1.3437065369652508
Energy: 1.43165187878052
Energy: 1.3437065369652508
Energy: 1.3495790536513657
Energy: 1.3458739148758794
Energy: 2.009202109228677
Energy: 1.3458739148758794
Energy: 1.8121409144313985
Energy: 1.3468693066878397
Energy: 1.7204415983643655
Energy: 1.3468693066898965
Energy: 1.5473059327455772
Energy: 1.444834867050447
Energy: 1.5329299171911261
Energy: 1.4448348670511326
Energy: 1.8079730314006377
Energy: 1.3560109160930114
Energy: 1.3655866627717705
Energy: 1.3560109160930114
Energy: 1.8564350058643586
Energy: 1.3677077984063297
Energy: 1.5719358512386712
Energy: 1.3677077984070154
Energy: 1.8637618240442526
Energy: 1.412247237355121
Energy: 1.3573574428400281
Energy: 1.412247237354435
Energy: 1.6913071526427785
Energy: 1.356673985299237
Energy: 1.3600569136181124
Energy: 1.356673985299237
Energy: 1.70873622146633
Energy: 1.35902766093225
Energy: 1.364899849788443
Energy: 1.3590276609315646
Energy: 2.001891925190285
Energy: 1.357410873808001
Energy: 1.6872276166827886
Energy: 1.3574108738073154
Energy: 1.4084277179695888
Energy: 1.5802111922770226
Energy: 1.8653071823853302
Energy: 1.5802111922763367
Energy: 1.3550954120678407
Energy: 1.3661655767733951
Energy: 1.6864364625888837
Energy: 1.3661655767733951
Energy: 1.4282849868785785
Energy: 1.3630575309632875
Energy: 1.3658683905948426
Energy: 1.3630575309639732
Energy: 1.5731049454372807
Energy: 1.358654301521276
Energy: 1.9932909605744997
Energy: 1.3586543015260755
Energy: 1.5460416578508707
Energy: 1.3580709116443876
Energy: 1.5772284032643433
Energy: 1.3580709116443876
Energy: 1.546327935973164
Energy: 1.3567967211085525
Energy: 1.7113458759321416
Energy: 1.356796721109238
Energy: 1.4300489349767207
Energy: 1.4367662125124028
Energy: 1.7099389066023085
Energy: 1.436766212511717
Energy: 1.8569275537317453
Energy: 1.345695097012474
Energy: 1.5068118485846678
Energy: 1.3456950970131598
Energy: 1.8598292145765651
Energy: 1.3652727822314636
Energy: 1.3424339324986791
Energy: 1.3652727822321493
Energy: 1.4335071403910664
Energy: 1.3447983031892186
Energy: 1.3464123232733387
Energy: 1.3447983031878472
Energy: 1.9934204721251012
Energy: 1.3483426849799598
Energy: 1.345834702494155
Energy: 1.3483426849785887
Energy: 1.9134068419931305
Energy: 1.344318861525222
Energy: 1.8131281653851736
Energy: 1.3443188615245363
Energy: 1.5573058930288037
Energy: 1.4403197889682156
Energy: 1.542507618647459
Energy: 1.4403197889689014
Energy: 1.3675705451487934
Energy: 1.3556620028656703
Energy: 1.8082932301282881
Energy: 1.3556620028656703
Energy: 1.5706547211657649
Energy: 1.408991057641027
Energy: 1.8581288147938892
Energy: 1.4089910576403413
Energy: 1.414408111006981
Energy: 1.4098889813916398
Energy: 1.8590316967944307
Energy: 1.4098889813916398
Energy: 1.3567669812419847
Energy: 1.3563579309253997
Energy: 1.6911418912301288
Energy: 1.3563579309247142
Energy: 1.3709369827520066
Energy: 1.3603327716942424
Energy: 1.7112338069146196
Energy: 1.3603327716942424
Energy: 1.6877867865801337
Energy: 1.3563862202875987
Energy: 1.9574012967644097
Energy: 1.3563862202875987
Energy: 1.9179554720225853
Energy: 1.3634587881762024
Energy: 1.4190946196566052
Energy: 1.363458788169346
Energy: 1.6874171837401963
Energy: 1.357182435170158
Energy: 1.3664015725852536
Energy: 1.357182435170844
Energy: 1.7181382600766961
Energy: 1.3866531638461268
Energy: 1.408604698141356
Energy: 1.3866531638461268

minimum gb energy = 1.3424339324986791 eV
minimum distance =  2.18610359047583 Angstroms
sigma value = 89


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

Energy: 2.2142157154571223
Energy: 1.2412297324346873
Energy: 1.2411390845343977
Energy: 1.2882771210265056
Energy: 1.6296411608432995
Energy: 1.3713959149680601
Energy: 1.6301650249464357
Energy: 1.3713959149680601
Energy: 1.226121469276479
Energy: 1.371850264269786
Energy: 1.6413614612118863
Energy: 1.371850264269786
Energy: 1.2265932956574395
Energy: 1.3743467912115868
Energy: 1.2404912875485274
Energy: 1.3743467912115868
Energy: 1.2370756340255662
Energy: 1.2377408557907013
Energy: 1.631829990914601
Energy: 1.2377408557907013
Energy: 1.300271499099617
Energy: 1.2391055202797185
Energy: 1.631451350302574
Energy: 1.2391055202779246
Energy: 1.2384274673469073
Energy: 1.235708062916208
Energy: 1.629251562854255
Energy: 1.235708062916208
Energy: 1.2400052926700464
Energy: 1.237974252533902
Energy: 2.0128635796139083
Energy: 1.237974252533902
Energy: 1.6279229695754884
Energy: 1.2360707778291522
Energy: 2.013770851882914
Energy: 1.236070777830946
Energy: 1.64372100630702
Energy: 1.37415087636576
Energy: 1.2709707767578544
Energy: 1.3741508763675538
Energy: 1.6279647065282612
Energy: 1.3742229650249742
Energy: 1.223714539283456
Energy: 1.3742229650249742
Energy: 1.6321161262486639
Energy: 1.2388647633753522
Energy: 1.2393857916296922
Energy: 1.2388647633753522
Energy: 1.6329369321415257
Energy: 1.239481141795901
Energy: 1.2374107853840393
Energy: 1.239481141795901
Energy: 1.24321255340591
Energy: 1.2344539534208567
Energy: 1.234398098190456
Energy: 1.2344539534190626
Energy: 2.0138564463173
Energy: 1.238213507670055
Energy: 1.2389399377506902
Energy: 1.238213507668261

minimum gb energy = 1.223714539283456 eV
minimum distance =  2.2167478755 Angstroms
sigma value = 13


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

Energy: 1.968467026687621
Energy: 1.1719917587145006
Energy: 1.1696058240582168
Energy: 1.1872084408803558
Energy: 1.7216871705538732
Energy: 1.1682015262302783
Energy: 1.3927593681876742
Energy: 1.1682015262302783
Energy: 1.873428290829759
Energy: 1.1664507279257634
Energy: 1.3686429829574016
Energy: 1.16645072792508
Energy: 1.5582421144370155
Energy: 1.1719165778222895
Energy: 1.6093307037085958
Energy: 1.1719165778222895
Energy: 1.6155963693316786
Energy: 1.1692050388739652
Energy: 1.716814254464702
Energy: 1.1692050388754691
Energy: 1.3690491447104483
Energy: 1.1688077223307685
Energy: 1.7172489668448145
Energy: 1.1688077223315203
Energy: 1.3682049481149954
Energy: 1.1676106083502262
Energy: 1.7338410286873527
Energy: 1.1676106083502262
Energy: 1.3528406708518188
Energy: 1.2021402309835885
Energy: 2.004462752412453
Energy: 1.2021402309835885
Energy: 1.1968988105415805
Energy: 1.171733489367227
Energy: 2.006289359380867
Energy: 1.171733489366475
Energy: 1.1653879575830361
Energy: 1.1673173137971862
Energy: 2.0090971898414054
Energy: 1.1673173137971862
Energy: 1.1945184264453665
Energy: 1.1772038590561438
Energy: 1.9694199402399435
Energy: 1.1772038590553917
Energy: 1.7001618197016473
Energy: 1.2466064373875698
Energy: 2.0104192035315456
Energy: 1.2466064373883219
Energy: 1.7186715516342095
Energy: 1.24520876951946
Energy: 1.7201459820786165
Energy: 1.2452087695202119
Energy: 1.7082935880660228
Energy: 1.2483077012603407
Energy: 1.5584951764460064
Energy: 1.2483077012610928
Energy: 2.01556421046652
Energy: 1.1704857810888936
Energy: 1.5816205773887568
Energy: 1.1704857810881417
Energy: 2.0124879356188354
Energy: 1.1678905476678134
Energy: 1.171934480474803
Energy: 1.1678905476678134
Energy: 1.7282785848445796
Energy: 1.1667684743368063
Energy: 1.1682436948368145
Energy: 1.1667684743368063
Energy: 1.8867147824956043
Energy: 1.1697682453499336
Energy: 1.1763004394451624
Energy: 1.1697682453499336
Energy: 2.140376995779866
Energy: 1.1707802664076803
Energy: 1.3756689918911955
Energy: 1.1707802664069284
Energy: 1.7415364548377037
Energy: 1.1652895955383042
Energy: 1.367414844339919
Energy: 1.1652895955383042
Energy: 1.5567692706793028
Energy: 1.1754100124626734
Energy: 1.392868004667458
Energy: 1.1754100124626734
Energy: 1.7410317436411915
Energy: 1.1664486818959336
Energy: 1.7176181932682626
Energy: 1.1664486818951818
Energy: 1.3549988712625594
Energy: 1.1702425327789852
Energy: 1.7172470088778047
Energy: 1.1702425327789852
Energy: 1.1719654178992793
Energy: 1.1656110633931853
Energy: 1.735963111587734
Energy: 1.1656110633939374
Energy: 1.385010325049056
Energy: 1.1979648100595617
Energy: 2.014993179034319
Energy: 1.1979648100595617
Energy: 1.1992454965840456
Energy: 1.1969976098807615
Energy: 2.0102606996297756
Energy: 1.1969976098807615
Energy: 1.1669866733104706
Energy: 1.166237841599088
Energy: 1.7382128977272997
Energy: 1.166237841599088
Energy: 1.2049795930464526
Energy: 1.1736809095179508
Energy: 1.8850863348408293
Energy: 1.173680909517199
Energy: 1.6977307250752136
Energy: 1.167342330279961
Energy: 2.141783353645606
Energy: 1.167342330279961
Energy: 1.3645630064288576
Energy: 1.249791989462241
Energy: 1.720336462428444
Energy: 1.249791989461489
Energy: 1.702366892152282
Energy: 1.2517403025692742
Energy: 1.5585262040088823
Energy: 1.2517403025707778
Energy: 2.0111843193038625
Energy: 1.1701364378656751
Energy: 1.6990406409322358
Energy: 1.1701364378671792
Energy: 2.016525003892202
Energy: 1.1715767221089115
Energy: 1.1994931354454552
Energy: 1.171576722103648
Energy: 1.8401175492896715
Energy: 1.1662789736395305
Energy: 1.1678132633244709
Energy: 1.1662789736402823
Energy: 2.13527625387687
Energy: 1.169286108426758
Energy: 1.1700728808233138
Energy: 1.169286108426006

minimum gb energy = 1.1652895955383042 eV
minimum distance =  2.21271887976761 Angstroms
sigma value = 37


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

Energy: 1.730911759141604
Energy: 1.0637248092392804
Energy: 1.0673771247497972
Energy: 1.1307113779304088
Energy: 1.936338563101337
Energy: 1.0640497594480813
Energy: 1.3797740438515458
Energy: 1.0640497594480813
Energy: 1.6938877708052011
Energy: 1.0621870259721884
Energy: 1.3854399944248288
Energy: 1.0621870259721884
Energy: 1.6930545831182136
Energy: 1.2058940793480089
Energy: 1.3814648559000557
Energy: 1.2058940793480089
Energy: 1.7241739069585098
Energy: 1.204809925657587
Energy: 1.3805730451337643
Energy: 1.204809925657587
Energy: 1.2515183302468174
Energy: 1.0628023271012095
Energy: 1.9371336256822485
Energy: 1.0628023270999158
Energy: 1.0567773186468257
Energy: 1.0620399607144397
Energy: 1.7240219182816285
Energy: 1.0620399607144397
Energy: 1.0789642310278311
Energy: 1.0636267828799777
Energy: 1.9292022550126502
Energy: 1.0636267828799777
Energy: 1.0637375936515283
Energy: 1.062910908158909
Energy: 1.9281975220130918
Energy: 1.062910908158909
Energy: 1.0609969221294897
Energy: 1.0647398588769927
Energy: 2.057447588656287
Energy: 1.0647398588769927
Energy: 1.0673771245739188
Energy: 1.1307113779304088
Energy: 1.730911759141604
Energy: 1.0637248102220473
Energy: 1.3797740438515458
Energy: 1.0640497594480813
Energy: 2.0579390444626053
Energy: 1.0640497594480813
Energy: 1.3854399944248288
Energy: 1.0621870259721884
Energy: 1.6938877708052011
Energy: 1.0621870259721884
Energy: 1.3814648559013494
Energy: 1.2058940793493025
Energy: 1.6930545831182136
Energy: 1.2058940793493025
Energy: 1.3805730451337643
Energy: 1.204809925657587
Energy: 1.7241739069572162
Energy: 1.204809925657587
Energy: 1.8107823317613956
Energy: 1.0628023270999158
Energy: 1.3879089717730988
Energy: 1.0628023271012095
Energy: 1.7240219182816285
Energy: 1.0620399607144397
Energy: 1.0567773186468257
Energy: 1.0620399607144397
Energy: 1.9292022550126502
Energy: 1.0636267828799777
Energy: 1.0789642310278311
Energy: 1.0636267828799777
Energy: 1.9281975220130918
Energy: 1.062910908158909
Energy: 1.0637375936515283
Energy: 1.062910908158909
Energy: 1.9362564626550087
Energy: 1.0647398588769927
Energy: 1.060996922128196
Energy: 1.0647398588769927

minimum gb energy = 1.0567773186468257 eV
minimum distance =  2.21942108810794 Angstroms
sigma value = 25


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

Energy: 2.028762444796231
Energy: 0.9445724491639604
Energy: 0.9498019777281455
Energy: 1.005548437793473
Energy: 2.0578566018860895
Energy: 0.9457117604609778
Energy: 1.2087199037818017
Energy: 0.9457117604609778
Energy: 1.8558518816951035
Energy: 0.944185055302944
Energy: 1.2069621386841158
Energy: 0.9441850553019339
Energy: 1.4527730024206371
Energy: 0.9477443209358467
Energy: 1.4944398658493157
Energy: 0.9477443209348365
Energy: 1.8741260485828575
Energy: 1.0549299500889155
Energy: 1.6646415269309849
Energy: 1.054929950085885
Energy: 1.462085780728131
Energy: 1.0543906777642555
Energy: 1.6622549188695492
Energy: 1.0543906777642555
Energy: 1.4614373745895446
Energy: 1.3436305627817866
Energy: 1.8740947352538115
Energy: 1.3436305627817866
Energy: 1.493795050577341
Energy: 0.9461193256475365
Energy: 1.659540054596017
Energy: 0.9461193256475365
Energy: 1.2069608828793237
Energy: 0.9442186016083918
Energy: 2.0580510973568176
Energy: 0.9442186016073816
Energy: 1.2098928032152751
Energy: 0.9456457666170922
Energy: 1.8770865793525013
Energy: 0.9456457666170922
Energy: 0.9444859391727095
Energy: 0.9440913253966289
Energy: 1.740659469614773
Energy: 0.9440913253966289
Energy: 0.9503691860574295
Energy: 0.9458517408555724
Energy: 2.0566004495242782
Energy: 0.9458517408555724
Energy: 0.9465353027250356
Energy: 0.9492029923233588
Energy: 2.2546236226105685
Energy: 0.9492029923223486
Energy: 1.2051757653337074
Energy: 0.9441461275705285
Energy: 1.8535958639571437
Energy: 0.9441461275705285
Energy: 1.2059932820374948
Energy: 0.943505576465409
Energy: 1.8742531501098032
Energy: 0.943505576465409
Energy: 1.2118798940128122
Energy: 0.9459709335699602
Energy: 1.858289608576823
Energy: 0.9459709335709704
Energy: 1.6627629474131436
Energy: 0.9451169638307406
Energy: 1.8571256453967986
Energy: 0.9451169638297305
Energy: 1.1982898551722518
Energy: 1.0556186723904022
Energy: 1.6631767752327817
Energy: 1.0556186723904022
Energy: 1.6641616729077222
Energy: 1.0562148383278551
Energy: 1.4609741286260598
Energy: 1.0562148383288654
Energy: 2.057604448222987
Energy: 1.3435225795499504
Energy: 1.4611106426119593
Energy: 1.3435225795499504
Energy: 1.7416225359018485
Energy: 0.9470712229421521
Energy: 1.2072767148940293
Energy: 0.9470712229411419
Energy: 2.0586311776794592
Energy: 0.9430896877390249
Energy: 0.9452793818175277
Energy: 0.9430896877380148
Energy: 2.054687331409942
Energy: 0.9488111699603337
Energy: 1.207286314055585
Energy: 0.9488111699603337
Energy: 1.660837463386901
Energy: 0.9445761421604837
Energy: 0.9448884835855972
Energy: 0.9445761421604837
Energy: 1.8727653684363041
Energy: 0.9437237092927062
Energy: 0.9449394691209112
Energy: 0.9437237092927062
Energy: 1.8562849204273055
Energy: 0.9475723993961342
Energy: 0.9524939080465213
Energy: 0.9475723993971445

minimum gb energy = 0.9430896877380148 eV
minimum distance =  2.22173796035625 Angstroms
sigma value = 41


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

Energy: 1.9922229594205387
Energy: 0.856585574631586
Energy: 0.8569485803431475
Energy: 0.9088510593296644
Energy: 2.136106468766878
Energy: 0.8572843175956083
Energy: 1.0778952547257774
Energy: 0.8572843175964364
Energy: 1.968478338062848
Energy: 0.8561735341626073
Energy: 1.0757305546125484
Energy: 0.8561735341626073
Energy: 1.6319998317769326
Energy: 0.8624822403538885
Energy: 1.4586097547125887
Energy: 0.8624822403547168
Energy: 1.981034390238609
Energy: 0.8579787878425658
Energy: 1.4606221475635157
Energy: 0.8579787878417375
Energy: 1.622934015004015
Energy: 0.8578215275599956
Energy: 1.4595102310165238
Energy: 0.8578215275599956
Energy: 1.6280449253069047
Energy: 0.9490642296377806
Energy: 1.802972285945198
Energy: 0.9490642296377806
Energy: 1.6430825826740565
Energy: 0.9516571737987037
Energy: 1.452660281637716
Energy: 0.951657173799532
Energy: 1.28811198835624
Energy: 0.8577474139708249
Energy: 1.7984720669131604
Energy: 0.8577474139716531
Energy: 1.2908341988960566
Energy: 0.8575487537856897
Energy: 2.1358704420771373
Energy: 0.857548753783205
Energy: 1.07525757176206
Energy: 0.8645564564978413
Energy: 1.7957758450843375
Energy: 0.8645564564978413
Energy: 1.0732595469171484
Energy: 0.85459730747854
Energy: 2.1371827733384534
Energy: 0.8545973074793681
Energy: 1.084100733801097
Energy: 0.8594533365433208
Energy: 2.1364519593960183
Energy: 0.8594533365433208
Energy: 0.8554513399999574
Energy: 0.8554867234541351
Energy: 1.805219523258935
Energy: 0.8554867234541351
Energy: 0.858909542540473
Energy: 0.8566289367477598
Energy: 1.9815418285367141
Energy: 0.8566289367477598
Energy: 0.8644276148024611
Energy: 0.8631327279543456
Energy: 1.9707421694360974
Energy: 0.8631327279535174
Energy: 1.0737515260263737
Energy: 0.8624169333716247
Energy: 1.9762655903672102
Energy: 0.8624169333707964
Energy: 1.0642370436556645
Energy: 0.8545792839297061
Energy: 1.9792031957166725
Energy: 0.8545792839297061
Energy: 1.0757082774888653
Energy: 0.8603787834345038
Energy: 1.6262040991397557
Energy: 0.8603787834336755
Energy: 1.4648960340458228
Energy: 0.8571363209791377
Energy: 1.6227615519826173
Energy: 0.8571363209791377
Energy: 1.4555458820534783
Energy: 0.858074312444281
Energy: 1.8056594823064258
Energy: 0.8580743124434528
Energy: 1.466529379503918
Energy: 0.9469343574348885
Energy: 1.6297627729322823
Energy: 0.9469343574340603
Energy: 1.7978976749697813
Energy: 0.9455097923745337
Energy: 1.623418072147137
Energy: 0.945509792375362
Energy: 1.451729948959298
Energy: 0.9515699063858647
Energy: 1.467907736993384
Energy: 0.9515699063850366
Energy: 1.8043506677375607
Energy: 0.8575888585269944
Energy: 1.2691610321546065
Energy: 0.8575888585261662
Energy: 1.797773360122091
Energy: 0.8564046484527276
Energy: 1.4631003279379386
Energy: 0.8564046484527276
Energy: 1.801213534410999
Energy: 0.859145562057285
Energy: 1.0755709341023865
Energy: 0.8591455620564568
Energy: 1.979199914526478
Energy: 0.8543973725940247
Energy: 1.0671659515662948
Energy: 0.8543973725931965
Energy: 1.800096392129768
Energy: 0.8665185716650374
Energy: 1.0755243222859228
Energy: 0.8665185716650374
Energy: 1.7971046926499
Energy: 0.8638988417670475
Energy: 0.8557676874118076
Energy: 0.8638988417670475
Energy: 2.139252464301237
Energy: 0.8560327101994102
Energy: 0.8582282922990323
Energy: 0.8560327102002385
Energy: 1.9658672873386658
Energy: 0.8652999531859493
Energy: 0.8564005215097525
Energy: 0.865299953184293

minimum gb energy = 0.8543973725931965 eV
minimum distance =  2.2252370162138 Angstroms
sigma value = 15


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

Energy: 1.762126758944632
Energy: 0.7884572789776391
Energy: 0.7879057315203932
Energy: 0.8332013234845665
Energy: 2.0575862911406912
Energy: 0.7899726664155705
Energy: 0.9719045992332654
Energy: 0.7899726664155705
Energy: 2.04587558321981
Energy: 0.7878006516979875
Energy: 0.9760051806069029
Energy: 0.7878006516979875
Energy: 1.7571721221892485
Energy: 0.7947410286961997
Energy: 1.303271857378456
Energy: 0.7947410286969013
Energy: 2.0536707501172855
Energy: 0.787384779845591
Energy: 1.3044654370600182
Energy: 0.7873847798448892
Energy: 1.7467980798665583
Energy: 0.7870844469480208
Energy: 1.3068958144704816
Energy: 0.7870844469445128
Energy: 1.448737836837927
Energy: 1.1291926497324436
Energy: 1.6056219739342306
Energy: 1.1291926497324436
Energy: 1.7613365143981585
Energy: 1.1291640755187997
Energy: 1.2945414438402534
Energy: 1.1291640755195014
Energy: 1.4472972908641095
Energy: 1.1279746612704773
Energy: 1.5998671395624198
Energy: 1.1279746612697756
Energy: 1.4468871584717704
Energy: 1.1274144457323514
Energy: 1.8983096149600736
Energy: 1.1274144457330528
Energy: 1.3049395030274997
Energy: 1.1309359066081874
Energy: 1.6082514930296041
Energy: 1.1309359066081874
Energy: 1.1390964450730774
Energy: 0.7870179929211705
Energy: 1.899249235524765
Energy: 0.7870179929204688
Energy: 1.3087523591826686
Energy: 0.7869225907097408
Energy: 1.895795587793722
Energy: 0.7869225907097408
Energy: 0.9663142761205208
Energy: 0.79403435331599
Energy: 1.604738895243744
Energy: 0.7940343533166915
Energy: 0.9641637278752625
Energy: 0.7861756941065003
Energy: 2.1895810340866886
Energy: 0.7861756941050972
Energy: 0.9885139227183477
Energy: 0.7926101457087775
Energy: 1.8981220499970424
Energy: 0.7926101457087775
Energy: 0.7862228067727121
Energy: 0.7969927300492667
Energy: 1.902534113673269
Energy: 0.7969927300485652
Energy: 0.7864627559860984
Energy: 0.7873078838338501
Energy: 2.0563373324688063
Energy: 0.7873078838345517
Energy: 0.8027094217992097
Energy: 0.7960264823450186
Energy: 1.749576105459657
Energy: 0.7960264823457202
Energy: 0.9818893003711711
Energy: 0.7936567594295978
Energy: 2.0516209835150208
Energy: 0.7936567594289601
Energy: 0.9592944022791366
Energy: 0.7865537458415193
Energy: 2.057864280697568
Energy: 0.7865537458415193
Energy: 0.963259391971155
Energy: 0.7942347019271346
Energy: 1.754377124821376
Energy: 0.7942347019285377
Energy: 1.3102244375824696
Energy: 0.7875189952176642
Energy: 1.745846768299685
Energy: 0.7875189952176642
Energy: 1.3050299470302713
Energy: 0.7875886607485989
Energy: 1.903098113901313
Energy: 0.7875886607478974
Energy: 1.321640344212598
Energy: 0.7890678919850205
Energy: 1.4559516933806622
Energy: 0.7890678919850205
Energy: 1.5977591598604106
Energy: 1.1273822084950453
Energy: 1.900394429770586
Energy: 1.1273822084936422
Energy: 1.300268573539961
Energy: 0.8650159972201539
Energy: 1.6033480997084297
Energy: 0.8650159972208554
Energy: 1.6148952094618174
Energy: 1.1298048035565484
Energy: 1.4554796547120044
Energy: 1.12980480355725
Energy: 1.5995325050656564
Energy: 1.1288896542339235
Energy: 1.6037544890416056
Energy: 1.1288896542339235
Energy: 1.5969555217906795
Energy: 1.127003373400624
Energy: 1.3047849628414032
Energy: 1.127003373400624
Energy: 1.9129486394033053
Energy: 0.7862681379583212
Energy: 1.1387012769866915
Energy: 0.7862681379590228
Energy: 1.6033349145136397
Energy: 0.7934148645320891
Energy: 1.3038788102528265
Energy: 0.7934148645327906
Energy: 1.8960920705170345
Energy: 0.7877133552159672
Energy: 0.9757474868230196
Energy: 0.7877133552180718
Energy: 2.0563740545610845
Energy: 0.7891550687529734
Energy: 0.9790326765128146
Energy: 0.7891550687529734
Energy: 1.8953786081433581
Energy: 0.8041377945668733
Energy: 0.9626974255160204
Energy: 0.8041377945668733
Energy: 2.1862075913131953
Energy: 0.7886608755667289
Energy: 0.7933922495017077
Energy: 0.7886608755667289
Energy: 2.0437338611459905
Energy: 0.7893532640108248
Energy: 0.7952782951985228
Energy: 0.7893532640115265

minimum gb energy = 0.7861756941050972 eV
minimum distance =  2.22588612520769 Angstroms
sigma value = 85


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

Energy: 1.9199492125147468
Energy: 0.7110969143212759
Energy: 0.7110057485232172
Energy: 0.7951365326113136
Energy: 2.095247051599415
Energy: 0.7139746613124829
Energy: 0.8655147120383384
Energy: 0.7139746613124829
Energy: 1.8864279840458908
Energy: 0.7131706846027183
Energy: 0.8637329182170702
Energy: 0.71317068460211
Energy: 1.6180207320755526
Energy: 0.7118454052398501
Energy: 1.1644906972756552
Energy: 0.7118454052398501
Energy: 2.095572294940781
Energy: 0.7121463353442284
Energy: 1.162755193768001
Energy: 0.712146335344837
Energy: 1.6204843898781083
Energy: 0.7120193622247861
Energy: 1.1680791153899481
Energy: 0.7120193622253946
Energy: 1.6257573209534757
Energy: 0.7116964498484292
Energy: 1.427345929736204
Energy: 0.7116964498466039
Energy: 1.8411172564199263
Energy: 0.7113596503659734
Energy: 1.2261436478166863
Energy: 0.7113596503647565
Energy: 1.6252634828121664
Energy: 0.7112482445762226
Energy: 1.431407409677735
Energy: 0.7112482445768311
Energy: 1.6243466199465326
Energy: 1.3078523106166446
Energy: 1.6950436243447382
Energy: 1.3078523106166446
Energy: 1.4290714213277467
Energy: 1.0503000311904018
Energy: 1.4890666078412202
Energy: 1.0503000311904018
Energy: 1.3612189755545707
Energy: 0.7117208665117101
Energy: 1.6965505423947635
Energy: 0.7117208665366579
Energy: 1.4300452054121071
Energy: 0.7113827175144125
Energy: 1.755421666813466
Energy: 0.7113827175162379
Energy: 1.1635813630186114
Energy: 0.7130869793065866
Energy: 1.4860572009598858
Energy: 0.7130869793065866
Energy: 1.0860066564424364
Energy: 0.7117370761061846
Energy: 1.959218636067434
Energy: 0.7117370761067932
Energy: 1.1673477775141858
Energy: 0.7129827618464286
Energy: 1.7547096191057987
Energy: 0.7129827618464286
Energy: 0.8603697980217689
Energy: 0.7110566422463089
Energy: 1.7527881566515149
Energy: 0.7110566422463089
Energy: 0.8602466406199099
Energy: 0.7118987203944063
Energy: 2.0386930035868445
Energy: 0.7118987203950147
Energy: 0.8605022300688466
Energy: 0.7122700918750624
Energy: 2.0155967365154583
Energy: 0.7122700918750624
Energy: 0.7848618314855719
Energy: 0.71061163763781
Energy: 2.015620745448168
Energy: 0.71061163763781
Energy: 0.7856459227075743
Energy: 0.7074472966383858
Energy: 2.084961030441637
Energy: 0.7074472966383858
Energy: 0.785658210117105
Energy: 0.7076694349457225
Energy: 1.8179666285955953
Energy: 0.7076694349457225
Energy: 0.9396812001715247
Energy: 0.7075868380335556
Energy: 2.0849822168425254
Energy: 0.7075868380335556
Energy: 0.9417648655262248
Energy: 0.7107449716973844
Energy: 2.083949980979698
Energy: 0.7107449716973844
Energy: 0.9382790474059169
Energy: 0.7104775808576208
Energy: 1.6182240770220973
Energy: 0.7104775808576208
Energy: 1.1543936905693064
Energy: 0.7110134475535045
Energy: 2.145645444474692
Energy: 0.711013447554113
Energy: 1.1521572155655122
Energy: 0.7104831608406215
Energy: 1.8884683245729177
Energy: 0.71048316084123
Energy: 1.4310466081134985
Energy: 0.7106014819361124
Energy: 1.6208184890998607
Energy: 0.7106014819361124
Energy: 1.4301008397086223
Energy: 0.7103543167074191
Energy: 1.907025323561561
Energy: 0.7103543167037681
Energy: 1.4302564035567111
Energy: 0.7103502814724444
Energy: 1.623222008970425
Energy: 0.710350281471836
Energy: 1.6947462278644327
Energy: 1.2052325471204572
Energy: 1.357917251915865
Energy: 1.2052325471204572
Energy: 1.4885510799791644
Energy: 1.2078441082366231
Energy: 1.6620176186856572
Energy: 1.2078441082366231
Energy: 1.6941516273179245
Energy: 1.0316751686444967
Energy: 1.357240701521285
Energy: 1.0316751686444967
Energy: 1.9577367937899595
Energy: 0.7115007331402662
Energy: 1.3575137773772394
Energy: 0.7115007331396577
Energy: 1.4865829092450984
Energy: 0.7123410806827402
Energy: 1.4174322323897743
Energy: 0.7123410806839571
Energy: 1.9565585516705633
Energy: 0.7111885608800675
Energy: 1.1601445516134226
Energy: 0.7111885608800675
Energy: 2.0177783737312978
Energy: 0.7118400751034669
Energy: 1.1705174724646166
Energy: 0.7118400751028583
Energy: 1.7530736983063056
Energy: 0.711371742238216
Energy: 0.8643788299918562
Energy: 0.7113717422388245
Energy: 2.2099933852212956
Energy: 0.71112238435855
Energy: 0.8663267622748855
Energy: 0.71112238435855
Energy: 2.019114703074355
Energy: 0.7118488314173445
Energy: 0.864257898038292
Energy: 0.7118488314173445
Energy: 1.7506445469935996
Energy: 0.711398849654572
Energy: 0.7116127351091689
Energy: 0.711398849654572
Energy: 2.1542182463586834
Energy: 0.7115467689781604
Energy: 0.7123523518078507
Energy: 0.7115467689781604
Energy: 1.8841666918222233
Energy: 0.7112091176298658
Energy: 0.7138323524830026
Energy: 0.7112091176304742

minimum gb energy = 0.7074472966383858 eV
minimum distance =  2.21968425368071 Angstroms
sigma value = 113


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

Energy: 0.02048007270687012
Energy: 0.7470221563741332
Energy: 1.6875610507163654
Energy: 0.02152637822293342
Energy: 1.6372483540910625
Energy: 0.17147334361117364
Energy: 1.1105607062087601
Energy: 0.17147334361117364
Energy: 0.021304119419038755
Energy: 0.16908770918172109
Energy: 1.108763954041644
Energy: 0.16908770918172109
Energy: 0.02312715976158793
Energy: 0.17181158956671921
Energy: 1.1067044317476098
Energy: 0.17181158956671921
Energy: 1.757124232210822
Energy: 0.17158273781661323
Energy: 1.1095061045276378
Energy: 0.17158273781614547
Energy: 0.02119851640477611
Energy: 0.16906009351179008
Energy: 1.108873382014359
Energy: 0.16906009351179008

minimum gb energy = 0.02048007270687012 eV
minimum distance =  2.4554126248104 Angstroms
sigma value = 1