Model name: model_name=EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.073718130588532
cohesive_energy=3.2103875034027074
mass=26.981538
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=[7.900060612226219e-20, 1.9755158332546798e-19, 2.81648232667494e-19, 3.3075334432296e-19, 3.61697783832036e-19, 3.8538916971899394e-19, 4.0597553728925996e-19, 4.2372765439397995e-19, 4.388778366450839e-19, 4.517208845432279e-19, 4.62631707420768e-19, 4.72204712808918e-19, 4.806321619037579e-19, 4.87920463411824e-19, 4.941000586891619e-19, 4.99220615211426e-19, 5.0339428534299595e-19, 5.067284149183499e-19, 5.09314328005626e-19, 5.11243348672962e-19, 5.12645253227712e-19, 5.13596946148308e-19, 5.141448905571359e-19, 5.14321129986876e-19, 5.1413047096743e-19, 5.13504019903536e-19, 5.123424418438859e-19, 5.10538390954002e-19, 5.07885186448098e-19, 5.0092853550327e-19, 4.81194525902292e-19, 4.36404075922188e-19, 3.4933859327736e-19, 1.9428794952200999e-19, -6.95730783724794e-20, -5.08510035335358e-19, -1.2321779730272098e-18, -1.66527034984692e-18, -1.69127367661674e-18, -1.7257845613130999e-18, -1.77098196415824e-18, -1.8289647365427e-18, -1.90341788472468e-18, -1.9992921345032398e-18, -2.1247105214127597e-18, -2.2936600474680597e-18, -2.5266165300516598e-18, -2.8571455696458597e-18, -3.3338572053262196e-18, -4.03038747519138e-18, -5.0722829402815795e-18, -6.6741711824874596e-18, -9.263144427134399e-18, -1.382215406094774e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.143095413925774 eV

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

Energy: 0.009749743055209467
Energy: 54.10231598403538
Energy: 38.328879395356864
Energy: 27.358037260042828
Energy: 54.10231598403538
Energy: 52.44749389796987
Energy: 54.10231598403538
Energy: 52.44749389796987
Energy: 38.328879395356864
Energy: 54.10231598403538
Energy: 0.009749743055209467
Energy: 54.10231598403538
Energy: 27.358037260042828
Energy: 52.44749389796987
Energy: 54.10231598403538
Energy: 52.44749389796987

minimum gb energy = 0.009749743055209467 eV
minimum distance =  1.44027685739086 Angstroms
sigma value = 1


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

Energy: 0.5522569789963462
Energy: 29.81941029091891
Energy: 0.43382183531065066
Energy: 26.690094110049106
Energy: 29.930616427362622
Energy: 25.48504455671118
Energy: 28.627865197340054
Energy: 25.48504455671118
Energy: 0.43403155209211675
Energy: 28.104350261628074
Energy: 12.750101020177977
Energy: 28.104350261628074
Energy: 24.25836390755842
Energy: 22.550304227689196
Energy: 27.96222891543769
Energy: 22.550304227689793
Energy: 0.5169906612117431
Energy: 23.88414136858224
Energy: 0.3966376615602024
Energy: 23.88414136858224
Energy: 23.70815897096294
Energy: 0.41896517849467046
Energy: 17.41858222956023
Energy: 0.41896517849467046
Energy: 0.4093667325861199
Energy: 16.490193582975166
Energy: 0.4067683605477966
Energy: 16.490193582975166
Energy: 0.40936398641147365
Energy: 0.39859957436488197
Energy: 15.571779762398085
Energy: 0.398599574365481
Energy: 0.41611920740402497
Energy: 0.39001022294221555
Energy: 10.363094464697477
Energy: 0.39001022294101756
Energy: 0.4329619405237412
Energy: 0.39043129782022523
Energy: 10.390647410009812
Energy: 0.39043129782082425
Energy: 0.4151990291668202
Energy: 11.007299010362445
Energy: 0.4161240795972598
Energy: 11.007299010362445
Energy: 12.585260124499095
Energy: 0.38929679432995157
Energy: 12.045556181932538
Energy: 0.3892967943287536
Energy: 0.411543392815262
Energy: 16.613736004647144
Energy: 16.62093955813198
Energy: 16.613736004647144
Energy: 18.785836717297464
Energy: 14.021958414940404
Energy: 0.41517785861145723
Energy: 14.021958414940404
Energy: 0.3962740649016549
Energy: 21.762769490078846
Energy: 0.39561105297919896
Energy: 21.762769490078846
Energy: 18.775880897589413
Energy: 20.933748063397704
Energy: 27.193031788885996
Energy: 20.933748063397704
Energy: 0.43389294957421354
Energy: 29.771247694195818
Energy: 16.740693072261376
Energy: 29.771247694195818
Energy: 26.43362251248226
Energy: 25.76321193519107
Energy: 24.597084940771527
Energy: 25.76321193519107
Energy: 0.395685006716335
Energy: 28.06700663102371
Energy: 0.43493934690401076
Energy: 28.06700663102371
Energy: 17.94282766090604
Energy: 23.635526126141684
Energy: 22.514839188213095
Energy: 23.635526126141684
Energy: 0.3975980227868839
Energy: 23.91689646388477
Energy: 0.4069247475030043
Energy: 23.91689646388477
Energy: 15.164696752950316
Energy: 0.3966770794584697
Energy: 24.606446946251523
Energy: 0.3966770794590687
Energy: 0.4067984006323528
Energy: 16.44861513541436
Energy: 0.40774234688633715
Energy: 16.44861513541436
Energy: 17.588439532546182
Energy: 0.39874656567934513
Energy: 0.40930934405182684
Energy: 0.39874656567934513
Energy: 10.19398515681854
Energy: 0.3900129250431364
Energy: 0.4168911619124341
Energy: 0.3900129250425374
Energy: 10.255700365488376
Energy: 0.3890876690455209
Energy: 0.43376616708222476
Energy: 0.3890876690455209
Energy: 13.415336572315645
Energy: 10.752883909191471
Energy: 0.4143771064716667
Energy: 10.75288390919087
Energy: 0.43281791474468617
Energy: 9.29422306341252
Energy: 14.968840501544575
Energy: 9.29422306341252
Energy: 16.30407645762829
Energy: 15.936892913181515
Energy: 0.4122089333768734
Energy: 15.936892913181515
Energy: 13.86413127354222
Energy: 14.112728861743706
Energy: 15.298751448541728
Energy: 14.112728861743106
Energy: 0.3956625692646487
Energy: 21.384253120390568
Energy: 0.3959022046662804
Energy: 21.384253120390568
Energy: 22.670980205374118
Energy: 20.47047190083035
Energy: 21.269242844939114
Energy: 20.47047190083035
Energy: 16.42816888902107
Energy: 29.599525550430116
Energy: 0.43434222854363874
Energy: 29.599525550430116

minimum gb energy = 0.3890876690455209 eV
minimum distance =  1.04953422055941 Angstroms
sigma value = 1


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

Energy: 16.048825284494665
Energy: 30.348509770463696
Energy: 0.45300367669905484
Energy: 30.348509770463018
Energy: 30.20513389561045
Energy: 25.746939863953497
Energy: 28.763568593315576
Energy: 25.74693986395486
Energy: 0.4534213243714327
Energy: 28.363045200522773
Energy: 0.5783420828635605
Energy: 28.363045200522773
Energy: 24.38265574361896
Energy: 22.411786293818217
Energy: 28.29609464321104
Energy: 22.411786293818217
Energy: 16.03172504088015
Energy: 22.62441763952199
Energy: 0.41244223816884223
Energy: 22.624417639521308
Energy: 20.96611655839681
Energy: 0.43581307019343873
Energy: 16.01983726410797
Energy: 0.4358130701927558
Energy: 9.734779636346223
Energy: 15.775994489179183
Energy: 0.42491231282174025
Energy: 15.775994489179183
Energy: 0.4251014442168254
Energy: 0.416176643424017
Energy: 0.45517937530803565
Energy: 0.41617664342196803
Energy: 16.417172710203463
Energy: 0.40996611493766055
Energy: 0.43180010871182795
Energy: 0.4099661149356116
Energy: 11.790407334856985
Energy: 0.4100933493860718
Energy: 11.368616415268919
Energy: 0.41009334938538883
Energy: 15.837740704212779
Energy: 13.380756695253469
Energy: 0.4346169581473517
Energy: 13.380756695254835
Energy: 0.4340837700947537
Energy: 11.895951774276384
Energy: 17.193761237124214
Energy: 11.895951774276384
Energy: 0.4115224132212446
Energy: 21.26154025180663
Energy: 0.4139290269458025
Energy: 21.26154025180663
Energy: 25.037029497110197
Energy: 20.797247077963718
Energy: 16.35607681263169
Energy: 20.797247077963718
Energy: 15.949486635561813
Energy: 29.962457612545137
Energy: 0.45321492196191854
Energy: 29.962457612545137
Energy: 25.944093623470433
Energy: 25.617008780626744
Energy: 26.99370257165656
Energy: 25.617008780626744
Energy: 0.4538499341646909
Energy: 28.360968214197005
Energy: 0.41099308826949194
Energy: 28.360968214197005
Energy: 20.36308779257338
Energy: 24.48922691514413
Energy: 15.80801763719471
Energy: 24.48922691514413
Energy: 16.024277985658163
Energy: 22.598684180990585
Energy: 0.41289828911868515
Energy: 22.598684180988535
Energy: 25.374085114589892
Energy: 0.4113649731270163
Energy: 14.669556200523484
Energy: 0.41136497312838227
Energy: 9.631326649290433
Energy: 15.582279487048796
Energy: 0.42508246981887254
Energy: 15.582279487048796
Energy: 0.42501953653595753
Energy: 0.41639783594496266
Energy: 0.45358516275020544
Energy: 0.4163978359415478
Energy: 16.46384779078949
Energy: 0.41000521428071773
Energy: 0.4370425892620111
Energy: 0.41000521428140074
Energy: 0.45355322871868764
Energy: 0.40930268289255006
Energy: 11.878620897515082
Energy: 0.409302682893916
Energy: 15.3463641302886
Energy: 12.990287331387474
Energy: 0.435632610220551
Energy: 12.990287331388158
Energy: 0.43359935446273357
Energy: 11.943869488528241
Energy: 14.211624161628954
Energy: 11.943869488526877
Energy: 0.4115282576763657
Energy: 20.98581587030076
Energy: 0.41303133198058867
Energy: 20.98581587030076
Energy: 20.183069164466268
Energy: 20.7762688334932
Energy: 17.913828454066834
Energy: 20.77626883349252
Energy: 15.474592822226247
Energy: 29.03363676286078
Energy: 0.4538316729572782
Energy: 29.03363676286078

minimum gb energy = 0.40930268289255006 eV
minimum distance =  1.05877990554389 Angstroms
sigma value = 25


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

Energy: 0.6003843189533995
Energy: 27.534058220867593
Energy: 0.4732186507634424
Energy: 23.380741792350637
Energy: 27.88596899862172
Energy: 25.80492497683463
Energy: 30.840985039133486
Energy: 25.80492497683463
Energy: 0.4728718100829878
Energy: 30.57116030760237
Energy: 0.5492713670106879
Energy: 30.57116030760237
Energy: 21.43867258599127
Energy: 21.134878284095294
Energy: 30.461332595945727
Energy: 21.134878284095294
Energy: 0.4268258858872025
Energy: 19.98946457891154
Energy: 0.42744288825563753
Energy: 19.98946457891154
Energy: 18.97609457836592
Energy: 0.4479037549597543
Energy: 0.4285345885970751
Energy: 0.4479037549597543
Energy: 11.176326248173265
Energy: 0.4364613488940321
Energy: 0.43886026475078577
Energy: 0.4364613488932381
Energy: 11.761183880351167
Energy: 0.4373729569704701
Energy: 0.47535915638589793
Energy: 0.437372956971264
Energy: 0.43930278560106706
Energy: 12.490567557439176
Energy: 0.4326130359626092
Energy: 12.49056755743838
Energy: 14.737827784891612
Energy: 11.703132573473237
Energy: 14.520479987873035
Energy: 11.703132573474031
Energy: 18.737721205587906
Energy: 20.59867318254772
Energy: 0.42845574323277535
Energy: 20.59867318254772
Energy: 15.979078079190225
Energy: 18.650100163685764
Energy: 24.215703137667607
Energy: 18.65010016368656
Energy: 0.4726520750670087
Energy: 27.275964760429833
Energy: 0.4204291950274167
Energy: 27.275964760429833
Energy: 27.39198039582655
Energy: 25.28813171902249
Energy: 21.867576577187936
Energy: 25.28813171902249
Energy: 0.42723763613643967
Energy: 30.583980953358484
Energy: 0.4726765825786793
Energy: 30.583980953358484
Energy: 0.4580745841273782
Energy: 23.90244558981032
Energy: 18.306767532676
Energy: 23.90244558981032
Energy: 0.4278090931342474
Energy: 19.960761361197527
Energy: 0.42713793303051495
Energy: 19.960761361197527
Energy: 0.42874619160386496
Energy: 0.4337203397270742
Energy: 21.5174142889046
Energy: 0.4337203397270742
Energy: 0.4388955607735368
Energy: 0.43635968972906714
Energy: 11.243441053175065
Energy: 0.43635968972986106
Energy: 0.47588588832901757
Energy: 0.4374691176004163
Energy: 11.90123242589954
Energy: 0.4374691176004163
Energy: 0.4327056589804569
Energy: 12.050180659556402
Energy: 0.46537283708337196
Energy: 12.050180659556402
Energy: 0.43305827926874724
Energy: 11.379621312250423
Energy: 0.457408567649976
Energy: 11.379621312250423
Energy: 0.4284107380458085
Energy: 19.498713885007064
Energy: 18.609987326450916
Energy: 19.498713885007064
Energy: 18.307062647839025
Energy: 19.05719803669066
Energy: 17.628031572319514
Energy: 19.05719803669066
Energy: 0.42038930983973793
Energy: 26.70140828542662
Energy: 0.4733886314683217
Energy: 26.70140828542662

minimum gb energy = 0.42038930983973793 eV
minimum distance =  1.07278593309961 Angstroms
sigma value = 9


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

Energy: 0.5593331785797964
Energy: 28.730973138472077
Energy: 0.49170048749261636
Energy: 28.730973138472077
Energy: 28.899868963650135
Energy: 21.674280896190936
Energy: 29.858729245889684
Energy: 21.674280896191885
Energy: 0.4914745910243247
Energy: 29.3004914952544
Energy: 19.78593912905567
Energy: 29.3004914952544
Energy: 21.225586253154106
Energy: 0.45012467053889904
Energy: 27.181528604017505
Energy: 0.4501246705398461
Energy: 0.443986182383988
Energy: 20.301597939676427
Energy: 11.532981615447891
Energy: 20.301597939676427
Energy: 0.479713004633647
Energy: 0.450664240236269
Energy: 0.4450829891057578
Energy: 0.4506642402353219
Energy: 0.457721808187508
Energy: 13.618498909550855
Energy: 20.220257135208875
Energy: 13.618498909550855
Energy: 13.590177619970355
Energy: 11.744692814112636
Energy: 14.004965659406219
Energy: 11.74469281411358
Energy: 0.44507593339677326
Energy: 17.128179744909705
Energy: 19.224783306831814
Energy: 17.12817974490876
Energy: 22.580250054274156
Energy: 16.401262079308715
Energy: 0.46554954688561706
Energy: 16.401262079307767
Energy: 0.430438219696785
Energy: 28.475287649205498
Energy: 0.49129866329188443
Energy: 28.475287649205498
Energy: 21.826299028238793
Energy: 27.062107025475743
Energy: 24.162788263383685
Energy: 27.062107025475743
Energy: 0.49277713318499644
Energy: 29.174160886524895
Energy: 19.573502149650402
Energy: 29.174160886524895
Energy: 18.722430734949548
Energy: 21.31448682813762
Energy: 0.47836013716602277
Energy: 21.31448682813762
Energy: 0.4436779944550498
Energy: 20.12844632880318
Energy: 0.4451779164150335
Energy: 20.12844632880318
Energy: 21.867668856909216
Energy: 0.450785848558219
Energy: 0.44544301747824516
Energy: 0.45078584855916615
Energy: 0.4559753473459734
Energy: 0.4612381834448527
Energy: 20.399081304134043
Energy: 0.46123818344674694
Energy: 0.45534736112931595
Energy: 11.6999095086192
Energy: 0.48116861883137446
Energy: 11.6999095086192
Energy: 0.44660662108359916
Energy: 16.117460582762345
Energy: 0.42998504904668905
Energy: 16.117460582762345
Energy: 0.44558580591205077
Energy: 16.61384757181455
Energy: 0.4299291639788459
Energy: 16.61384757181455
Energy: 0.429821277723276
Energy: 27.947474382760227
Energy: 0.49225978975865703
Energy: 27.947474382760227

minimum gb energy = 0.429821277723276 eV
minimum distance =  1.09540503527745 Angstroms
sigma value = 25


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

Energy: 0.500236416425893
Energy: 31.005228214804085
Energy: 0.5108395605160624
Energy: 20.289062433282606
Energy: 31.95925653351124
Energy: 25.679295927572582
Energy: 28.083618950538515
Energy: 25.67929592757375
Energy: 0.510123441905157
Energy: 27.758694843493416
Energy: 0.4365364845483626
Energy: 27.758694843493416
Energy: 23.556120083991974
Energy: 0.4647983213104719
Energy: 27.190940919724795
Energy: 0.4647983213104719
Energy: 0.46494944484348066
Energy: 0.4679124207353334
Energy: 14.245730727473145
Energy: 0.4679124207353334
Energy: 0.43644924002270297
Energy: 0.46954329091951164
Energy: 15.62227730718511
Energy: 0.4695432909183403
Energy: 0.4937778856269052
Energy: 16.07540612389019
Energy: 0.46532771607433715
Energy: 16.07540612389019
Energy: 0.43428274057907407
Energy: 16.113443254602064
Energy: 20.179384834680185
Energy: 16.113443254602064
Energy: 0.5099997242450551
Energy: 29.074848839571384
Energy: 25.31190728029837
Energy: 29.074848839572553
Energy: 23.720930513100754
Energy: 26.22931079196324
Energy: 22.95673778338635
Energy: 26.22931079196324
Energy: 0.4362143245673635
Energy: 27.830539578865373
Energy: 0.5124407734404127
Energy: 27.830539578865373
Energy: 0.4360412423237967
Energy: 21.806487644150764
Energy: 0.43652752391347244
Energy: 21.806487644150764
Energy: 14.852669073817035
Energy: 0.46970690041536056
Energy: 0.4650094523939757
Energy: 0.46970690041536056
Energy: 14.993407669668137
Energy: 0.46788462246407203
Energy: 0.4367804858324022
Energy: 0.46788462246407203
Energy: 0.4663972744863177
Energy: 15.067619681982276
Energy: 0.43412482369137706
Energy: 15.067619681982276
Energy: 0.4461011083023687
Energy: 15.728948672190356
Energy: 0.4905353794728149
Energy: 15.728948672190356
Energy: 25.245292202081405
Energy: 26.519848983458445
Energy: 0.5112551638898413
Energy: 26.519848983458445

minimum gb energy = 0.43412482369137706 eV
minimum distance =  1.13520860412823 Angstroms
sigma value = 17


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

Energy: 15.913323333171512
Energy: 28.864334453959554
Energy: 0.5644935840041984
Energy: 24.020711266467263
Energy: 28.05961112631862
Energy: 0.4939024241650881
Energy: 21.77571603232492
Energy: 0.4939024241644247
Energy: 0.4817419293660436
Energy: 19.510028407146798
Energy: 15.872110354210548
Energy: 19.510028407146798
Energy: 0.4650810835188291
Energy: 0.49644865279011974
Energy: 17.521957562876757
Energy: 0.49644865278879297
Energy: 16.1860702362593
Energy: 0.4911860033623527
Energy: 0.47888187336426874
Energy: 0.4911860033623527
Energy: 0.46537240318245726
Energy: 0.49178825277282784
Energy: 11.709495005740544
Energy: 0.4917882527721644
Energy: 0.485062805744453
Energy: 20.77887918139322
Energy: 0.4814634232775624
Energy: 20.77887918139322
Energy: 17.127247966579798
Energy: 20.569370728849783
Energy: 19.446096097691516
Energy: 20.569370728849783
Energy: 0.5651098656843434
Energy: 26.905212287432494
Energy: 0.48590857011123173
Energy: 26.905212287432494
Energy: 0.5035316112593485
Energy: 19.25200763970765
Energy: 16.850546532559264
Energy: 19.25200763970765
Energy: 0.4899447215161225
Energy: 15.115066238078334
Energy: 0.45179129224617953
Energy: 15.115066238078334
Energy: 16.906616598893383
Energy: 0.4625972128503072
Energy: 10.337154292346112
Energy: 0.4625972128503072
Energy: 0.4849605992132195
Energy: 10.406386767788378
Energy: 0.4612552070479578
Energy: 10.406386767788378
Energy: 15.475282126188954
Energy: 12.845521081309224
Energy: 0.4509884900927165
Energy: 12.845521081309224
Energy: 0.5667345955245303
Energy: 24.99509977423184
Energy: 14.15296601630036
Energy: 24.99509977423184
Energy: 0.5641971132072888
Energy: 26.815372470243485
Energy: 14.950077268260756
Energy: 26.815372470243485
Energy: 14.720959793165864
Energy: 18.732415516492843
Energy: 0.481919400476015
Energy: 18.732415516492843
Energy: 14.510287576579497
Energy: 16.56567675924207
Energy: 0.48181470595182085
Energy: 16.56567675924207
Energy: 0.4680921463906469
Energy: 0.49157164839016226
Energy: 16.09905514765636
Energy: 0.4915716483908257
Energy: 0.4786227533470511
Energy: 10.406189337265065
Energy: 0.48835863148500097
Energy: 10.406189337265065
Energy: 9.344738615222063
Energy: 0.4647833781262029
Energy: 15.715648275503733
Energy: 0.46478337812686626
Energy: 0.4816726379741796
Energy: 21.336375441437287
Energy: 0.4850335915039004
Energy: 21.336375441437287
Energy: 16.465166554259362
Energy: 21.950654457077114
Energy: 19.84204211922553
Energy: 21.950654457077114
Energy: 0.4858032581651748
Energy: 27.087424804631592
Energy: 0.5643181708809155
Energy: 27.087424804631592
Energy: 19.17985951487538
Energy: 0.46506480111516907
Energy: 17.618294624261214
Energy: 0.4650648011164958
Energy: 9.76368857962866
Energy: 0.4626593155813639
Energy: 0.4891336438911484
Energy: 0.4626593155813639
Energy: 0.45066186680283904
Energy: 0.4881125392963857
Energy: 0.48610604004238206
Energy: 0.4881125392963857
Energy: 0.46284112691267554
Energy: 12.740871093114771
Energy: 15.80279807032028
Energy: 12.740871093114771
Energy: 24.38706289297676
Energy: 13.089377249245326
Energy: 0.4849462394769083
Energy: 13.089377249245326
Energy: 15.89038204401392
Energy: 28.461728485365857
Energy: 0.5639691897268232
Energy: 28.461728485365857

minimum gb energy = 0.45066186680283904 eV
minimum distance =  1.02578944855742 Angstroms
sigma value = 53


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

Energy: 0.6257625147230689
Energy: 23.335135190855258
Energy: 0.5100940137147841
Energy: 23.335135190855258
Energy: 23.15453108837971
Energy: 26.22141865002431
Energy: 33.774735593225756
Energy: 26.221418650024468
Energy: 0.508959017692088
Energy: 32.73575966610575
Energy: 0.4942588099958379
Energy: 32.735759666105594
Energy: 0.488486364094018
Energy: 0.43662992117496985
Energy: 31.520647258652378
Energy: 0.436629921176497
Energy: 0.4968570499564805
Energy: 19.495384542247596
Energy: 0.409098295191354
Energy: 19.495384542247596
Energy: 18.798992052825284
Energy: 18.23174945718753
Energy: 0.4094255103650893
Energy: 18.231749457187373
Energy: 0.561064340543349
Energy: 22.83877598267811
Energy: 0.5079776786220558
Energy: 22.83877598267811
Energy: 0.5610298273740052
Energy: 23.680956157254773
Energy: 22.388536680875696
Energy: 23.680956157254773
Energy: 0.5097061837185949
Energy: 32.1185232122795
Energy: 0.49687523565909897
Energy: 32.118523212279186
Energy: 18.63187548978697
Energy: 0.43767153241959045
Energy: 33.60183069204583
Energy: 0.43767153241959045
Energy: 30.093424574071534
Energy: 0.438137634808594
Energy: 0.41895379026151425
Energy: 0.43813763480706686
Energy: 0.48875548553593473
Energy: 18.39205854455413
Energy: 0.4111230743033749
Energy: 18.392058544554285
Energy: 0.5610345893019365
Energy: 22.116481312257456
Energy: 15.547237613461903
Energy: 22.116481312257754

minimum gb energy = 0.409098295191354 eV
minimum distance =  1.21417330497999 Angstroms
sigma value = 9


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

Energy: 0.612959160199598
Energy: 24.27426077722059
Energy: 0.589310289869417
Energy: 21.238449630566283
Energy: 23.925971493887147
Energy: 0.46123878273513136
Energy: 17.754574006628008
Energy: 0.46123878273569663
Energy: 7.865469343552663
Energy: 15.347335237254791
Energy: 13.236251103300166
Energy: 15.347335237254226
Energy: 9.366294257027016
Energy: 0.4608286575486697
Energy: 0.6035028470406409
Energy: 0.4608286575475392
Energy: 0.4615260064920023
Energy: 12.018640475341806
Energy: 15.19015338570666
Energy: 12.018640475341806
Energy: 0.4604334531298759
Energy: 16.163116905541997
Energy: 15.12046451648529
Energy: 16.163116905541997
Energy: 0.5961153165815289
Energy: 25.596029241386315
Energy: 0.583846164704584
Energy: 25.59602924138575
Energy: 0.5967466206133635
Energy: 19.07280678510825
Energy: 0.5877647689515139
Energy: 19.07280678510825
Energy: 0.4964771446305601
Energy: 0.5024565849701741
Energy: 0.48839476903507095
Energy: 0.5024565849701741
Energy: 0.45152764840242743
Energy: 0.4882526207161879
Energy: 0.5600119505850797
Energy: 0.4882526207161879
Energy: 0.5015265067859833
Energy: 11.766053708850942
Energy: 17.25882453247727
Energy: 11.766053708850942
Energy: 0.49421164890758446
Energy: 20.436557503959442
Energy: 12.969405159564005
Energy: 20.436557503959442
Energy: 14.773721269546014
Energy: 18.124616970842695
Energy: 11.631191892981576
Energy: 18.124616970842133
Energy: 15.460970415928417
Energy: 18.56424833344653
Energy: 0.5065853348227093
Energy: 18.56424833344653
Energy: 0.5641589822455777
Energy: 0.4871220887253732
Energy: 13.41595121744746
Energy: 0.4871220887259385
Energy: 13.10512545025942
Energy: 10.752919023880878
Energy: 12.714958475044632
Energy: 10.752919023880878
Energy: 12.57008094591717
Energy: 0.46181341375076224
Energy: 22.271238298731806
Energy: 0.46181341375019697
Energy: 0.5884799640102168
Energy: 24.18014787486922
Energy: 0.6120320751400425
Energy: 24.18014787486922
Energy: 16.034108074608536
Energy: 0.4614283573607703
Energy: 20.03821264621774
Energy: 0.4614283573607703
Energy: 13.335136622561429
Energy: 15.458907621207903
Energy: 0.4655096785082478
Energy: 15.458907621207903
Energy: 15.204712112661587
Energy: 0.4616853305350491
Energy: 9.238358483050284
Energy: 0.46168533053391875
Energy: 14.977138402224298
Energy: 11.458562199835088
Energy: 0.46076836757085005
Energy: 11.458562199835088
Energy: 15.410576829821458
Energy: 16.46232773401119
Energy: 0.4602716991174084
Energy: 16.462327734011755
Energy: 0.5851433296985945
Energy: 25.405564718751993
Energy: 0.5961752323660864
Energy: 25.405564718751993
Energy: 0.5879521669984344
Energy: 20.769174121845815
Energy: 0.595830914420003
Energy: 20.76917412184525
Energy: 0.4881117743736619
Energy: 0.5069799779609235
Energy: 0.4960310199381756
Energy: 0.5069799779609235
Energy: 14.768630897116013
Energy: 0.48840143990030893
Energy: 0.45124063494644917
Energy: 0.48840143990030893
Energy: 16.28487903242473
Energy: 11.066337674085407
Energy: 0.4999150760674297
Energy: 11.066337674085407
Energy: 13.172444415289045
Energy: 20.501677283600806
Energy: 0.5022913325432256
Energy: 20.501677283600806
Energy: 13.238443258429328
Energy: 0.48590295273084655
Energy: 13.89587161043404
Energy: 0.48590295273084655
Energy: 0.5059161450764277
Energy: 19.644867690693925
Energy: 0.5623733109355484
Energy: 19.644867690693925
Energy: 0.49472018216008035
Energy: 0.48643210327921
Energy: 0.5657803224252188
Energy: 0.48643210327977515
Energy: 12.994641432169269
Energy: 10.706423874806925
Energy: 12.855830148629988
Energy: 10.706423874806925
Energy: 20.482537654452685
Energy: 11.473805599703997
Energy: 0.5211922811295426
Energy: 11.473805599703997
Energy: 0.6010017149218057
Energy: 23.950564823403692
Energy: 0.5878336981480512
Energy: 23.950564823403692

minimum gb energy = 0.45124063494644917 eV
minimum distance =  1.03408532051499 Angstroms
sigma value = 73


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

Energy: 0.5776186381315723
Energy: 28.05920933872335
Energy: 0.545462133639653
Energy: 23.323710668296624
Energy: 28.242233092191217
Energy: 16.660148999155357
Energy: 21.84997310887883
Energy: 16.660148999155357
Energy: 10.660217711250242
Energy: 20.435475306247014
Energy: 0.5128443132136589
Energy: 20.435475306247014
Energy: 12.52344214374357
Energy: 0.46275507881616734
Energy: 0.5963047768845211
Energy: 0.46275507881616734
Energy: 0.46279194446741384
Energy: 14.389998470706933
Energy: 18.50607951254658
Energy: 14.389998470706933
Energy: 0.4657146694789935
Energy: 16.569658733091636
Energy: 17.88137620127784
Energy: 16.569658733091636
Energy: 19.462008157084497
Energy: 24.431979246386458
Energy: 0.5375613761455235
Energy: 24.431979246386458
Energy: 0.5915516078177299
Energy: 20.648406396309987
Energy: 0.5501255604406167
Energy: 20.648406396309987
Energy: 13.677960051179241
Energy: 0.4787477783730463
Energy: 20.73662220006973
Energy: 0.4787477783730463
Energy: 0.4499251603547152
Energy: 12.873805938899809
Energy: 0.5242480090584081
Energy: 12.873805938899809
Energy: 11.19618870672957
Energy: 16.710011466936695
Energy: 21.213982776899353
Energy: 16.710011466936695
Energy: 0.5379621124657075
Energy: 27.867773252393945
Energy: 0.5752914085287042
Energy: 27.867773252393945
Energy: 0.5177886353406231
Energy: 0.4634006242175052
Energy: 16.215250518512864
Energy: 0.4634006242166084
Energy: 0.5129934195066994
Energy: 0.4620403399120661
Energy: 11.24013191974257
Energy: 0.4620403399120661
Energy: 14.666553316847882
Energy: 0.46292829492731113
Energy: 12.505020607998281
Energy: 0.46292829492731113
Energy: 19.795218324583495
Energy: 15.55077459413092
Energy: 0.4619177071775066
Energy: 15.55077459413092
Energy: 0.5783249993952163
Energy: 0.46401901545571067
Energy: 23.389093884557152
Energy: 0.46401901545571067
Energy: 0.5398045422208494
Energy: 24.41260985544119
Energy: 19.951425789492756
Energy: 24.41260985544119
Energy: 0.5309451558001986
Energy: 0.48611837589038825
Energy: 0.5185020154629847
Energy: 0.48611837589038825
Energy: 20.489221476548813
Energy: 0.47981490808197363
Energy: 13.295043502307117
Energy: 0.47981490808197363
Energy: 0.5300523838078194
Energy: 12.51507584400261
Energy: 0.4519837854238909
Energy: 12.51507584400261
Energy: 0.5736026702659881
Energy: 18.851567359791172
Energy: 0.5479835402297172
Energy: 18.851567359791172

minimum gb energy = 0.4499251603547152 eV
minimum distance =  1.18084003536235 Angstroms
sigma value = 7


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

Energy: 15.764312011388219
Energy: 24.25702091725731
Energy: 0.5462207964803546
Energy: 24.25702091725731
Energy: 24.335784483041373
Energy: 13.472340979215593
Energy: 17.209041878032107
Energy: 13.472340979216229
Energy: 9.035475966238362
Energy: 0.4651998862664247
Energy: 0.5085441612653538
Energy: 0.4651998862664247
Energy: 10.314096845475177
Energy: 0.46496373977962785
Energy: 0.5757384129271277
Energy: 0.46496373978153027
Energy: 0.46881931735860616
Energy: 14.412744511522693
Energy: 0.5549265832397108
Energy: 14.412744511521424
Energy: 0.46591298554215493
Energy: 14.595681478967425
Energy: 0.555873549615105
Energy: 14.595681478968693
Energy: 15.624119743703599
Energy: 19.068449748492807
Energy: 0.46449387519443525
Energy: 19.068449748493443
Energy: 0.5743681143816524
Energy: 0.4665175032157508
Energy: 0.49092392778144117
Energy: 0.46651750321321434
Energy: 14.177106714786648
Energy: 0.4652371530148778
Energy: 0.4678607922572343
Energy: 0.4652371530148778
Energy: 15.771642016934258
Energy: 13.256043280351523
Energy: 0.46713435941300024
Energy: 13.256043280351523
Energy: 12.023854016132471
Energy: 18.31634766119552
Energy: 16.691094947687972
Energy: 18.31634766119552
Energy: 0.5472699710658132
Energy: 25.395776735379435
Energy: 0.5771098053564534
Energy: 25.395776735379435
Energy: 15.155737349714926
Energy: 0.46696048244764987
Energy: 17.934204153763186
Energy: 0.46696048244764987
Energy: 15.847266568183622
Energy: 0.48221779001482196
Energy: 0.46591952520426255
Energy: 0.48221779001482196
Energy: 13.186482377617734
Energy: 0.4841737442051561
Energy: 0.4683462949817825
Energy: 0.48417374420959497
Energy: 15.656129822661075
Energy: 23.83702101459842
Energy: 0.5474938137391798
Energy: 23.83702101459842
Energy: 0.5884898721889896
Energy: 13.479180436606383
Energy: 11.54532529015566
Energy: 13.479180436605114
Energy: 0.4673780478419464
Energy: 0.48770324271665666
Energy: 0.5080886014723399
Energy: 0.48770324271475424
Energy: 10.171553070610146
Energy: 0.4655448559757617
Energy: 16.64176849184042
Energy: 0.46554485597385925
Energy: 0.491612928491623
Energy: 12.360153593099316
Energy: 16.97356892329478
Energy: 12.360153593099316
Energy: 0.46467897095859406
Energy: 16.054457379119036
Energy: 0.5538097308243326
Energy: 16.054457379118404
Energy: 14.763513136602617
Energy: 18.519717748231493
Energy: 0.46516783805099976
Energy: 18.519717748230857
Energy: 15.221031076985792
Energy: 16.808672091553262
Energy: 0.4687283170381833
Energy: 16.808672091553262
Energy: 0.5758884705041677
Energy: 0.4646368993138681
Energy: 0.46620304154198755
Energy: 0.4646368993151363
Energy: 15.69986027601953
Energy: 13.003794690670682
Energy: 0.4649215942402653
Energy: 13.003794690670682
Energy: 0.5601431623979499
Energy: 0.46531861652594503
Energy: 26.271590893704758
Energy: 0.46531861652594503
Energy: 0.5460931129024886
Energy: 27.078456503551408
Energy: 0.582046203017605
Energy: 27.078456503551408
Energy: 0.5113744075325508
Energy: 0.4664440940631532
Energy: 26.428893740830624
Energy: 0.4664440940631532
Energy: 16.02724665082058
Energy: 0.4830593198162061
Energy: 12.708148944531636
Energy: 0.48305931981557193
Energy: 0.5104113585002175
Energy: 10.715657783987677
Energy: 0.4657930104719226
Energy: 10.715657783987677
Energy: 15.19984975582273
Energy: 22.693016149168045
Energy: 0.5491071399152118
Energy: 22.693016149168045

minimum gb energy = 0.46449387519443525 eV
minimum distance =  1.12233272271056 Angstroms
sigma value = 29


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

Energy: 0.4135957088724285
Energy: 25.193383142587578
Energy: 0.49238111292654607
Energy: 13.57445526744759
Energy: 25.472601992129857
Energy: 28.364949668201987
Energy: 45.68694560954907
Energy: 28.364949668201987
Energy: 25.281456907294068
Energy: 0.4349432479259545
Energy: 0.41843995686269037
Energy: 0.43494324792573363
Energy: 0.4141154457689407
Energy: 25.810070146205724
Energy: 28.285603196734627
Energy: 25.810070146205724
Energy: 0.4213858674368783
Energy: 25.942427891135612
Energy: 0.4139114226284178
Energy: 25.942427891135612
Energy: 0.4225510540048467
Energy: 27.112562638778204
Energy: 0.41377279682331
Energy: 27.11256263877801
Energy: 0.41763580003767287
Energy: 31.99952561814239
Energy: 0.4225428159255779
Energy: 31.99952561814261
Energy: 46.066829561345145
Energy: 31.765428995477347
Energy: 0.41444139653717593
Energy: 31.765428995477347
Energy: 0.4142990899408283
Energy: 25.242143654621376
Energy: 25.605172911309207
Energy: 25.242143654621376

minimum gb energy = 0.4135957088724285 eV
minimum distance =  1.40071994508835 Angstroms
sigma value = 5


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

Energy: 0.6109283023946991
Energy: 23.909364125916667
Energy: 0.5288095981937767
Energy: 20.767814247822272
Energy: 23.901756772538782
Energy: 12.460191178459464
Energy: 14.608821790831845
Energy: 12.460191178460063
Energy: 12.553926567208277
Energy: 0.4693013789128623
Energy: 16.084806408667568
Energy: 0.4693013789134613
Energy: 12.583920048234239
Energy: 0.4409672210563614
Energy: 0.5502110412752279
Energy: 0.4409672210569604
Energy: 0.5154249121510794
Energy: 23.40407082231504
Energy: 0.523037863647227
Energy: 23.40407082231504
Energy: 0.4417655156692259
Energy: 21.51395859605655
Energy: 0.5237841420683962
Energy: 21.51395859605655
Energy: 13.753667864025344
Energy: 0.4402366475651495
Energy: 0.5557287625565345
Energy: 0.44023664756395153
Energy: 0.4404504071280369
Energy: 12.830687741180899
Energy: 15.964661195492438
Energy: 12.830687741180899
Energy: 18.897317296257775
Energy: 0.46072642262237107
Energy: 0.5829742950106277
Energy: 0.46072642262237107
Energy: 0.5296122693098583
Energy: 18.605537852661747
Energy: 0.43379855090500197
Energy: 18.605537852661747
Energy: 19.155934269715733
Energy: 0.43134653959260927
Energy: 9.14624160661603
Energy: 0.4313465395914112
Energy: 0.5929545262317192
Energy: 12.801921593479037
Energy: 0.4313646835955386
Energy: 12.801921593479635
Energy: 0.5949127936607637
Energy: 19.994731911634457
Energy: 0.4838031878375753
Energy: 19.994731911634457
Energy: 0.5217128040984034
Energy: 0.4498395029625215
Energy: 0.5233821361620321
Energy: 0.44983950296312053
Energy: 9.824401361631697
Energy: 0.4411687997254844
Energy: 0.5247368652518843
Energy: 0.4411687997266825
Energy: 10.202089858093494
Energy: 0.4407798033223217
Energy: 22.371468343886754
Energy: 0.44077980332292066
Energy: 0.4413352221355713
Energy: 23.805126405239648
Energy: 15.622671124728818
Energy: 23.805126405239648
Energy: 11.052684792087614
Energy: 0.4410852140906732
Energy: 19.677450407722684
Energy: 0.4410852140906732
Energy: 16.38247299482046
Energy: 0.4701082723827609
Energy: 12.116723634716173
Energy: 0.4701082723827609
Energy: 0.5383336985355264
Energy: 10.962426151761509
Energy: 12.795806014073085
Energy: 10.962426151761509
Energy: 0.5241058026220505
Energy: 20.500157204973597
Energy: 0.515511995805957
Energy: 20.500157204973597
Energy: 0.5228937000835355
Energy: 23.886086476920298
Energy: 0.44018970438789273
Energy: 23.886086476920894
Energy: 0.5503648349229222
Energy: 0.4401228429422648
Energy: 13.643690580561332
Energy: 0.44012284294286375
Energy: 15.690612340549631
Energy: 12.472123527264728
Energy: 0.4442331948833211
Energy: 12.472123527264728
Energy: 0.5945222279268054
Energy: 0.45555974901257895
Energy: 16.775495544473788
Energy: 0.45555974901138085
Energy: 0.43229613026355573
Energy: 18.572543939539596
Energy: 0.5296036114206523
Energy: 18.572543939539596
Energy: 8.866901240792052
Energy: 0.4316049736084267
Energy: 20.842670423796054
Energy: 0.4316049736090257
Energy: 0.432202806526755
Energy: 11.491721383381124
Energy: 16.771899450373617
Energy: 11.491721383381124
Energy: 0.4956173077600669
Energy: 20.174743477549637
Energy: 0.596028674923647
Energy: 20.174743477549637
Energy: 0.5240705940775691
Energy: 0.45329195048719
Energy: 11.925770972847236
Energy: 0.45329195048778903
Energy: 0.5237556637657225
Energy: 0.4413603839939704
Energy: 9.499399546517076
Energy: 0.4413603839933713
Energy: 13.153326785744069
Energy: 0.4404880856228446
Energy: 10.578037672108964
Energy: 0.4404880856228446
Energy: 15.501732748494968
Energy: 23.449005542783972
Energy: 0.44058045460393985
Energy: 23.449005542783972

minimum gb energy = 0.4313465395914112 eV
minimum distance =  1.04953422055941 Angstroms
sigma value = 1


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

Energy: 0.6577855217428548
Energy: 26.944467774839808
Energy: 0.5165213376289425
Energy: 26.944467774839808
Energy: 27.26443370473079
Energy: 13.847125021863699
Energy: 0.5279643136932745
Energy: 13.847125021864526
Energy: 13.208864144910434
Energy: 0.4611974999794198
Energy: 19.464263229526612
Energy: 0.46119749997859155
Energy: 0.4329601481130135
Energy: 12.87132307139406
Energy: 0.4667200085786618
Energy: 12.87132307139406
Energy: 0.42682978834458396
Energy: 22.159659834543966
Energy: 18.91598509695885
Energy: 22.159659834543966
Energy: 0.4221676890850466
Energy: 21.314056130859093
Energy: 18.37482383139602
Energy: 21.314056130859093
Energy: 0.421207682061734
Energy: 0.42242424827305
Energy: 15.683998795798061
Energy: 0.42242424827305
Energy: 0.4226161609601404
Energy: 15.524943245194438
Energy: 19.042336590629347
Energy: 15.524943245194438
Energy: 20.238235751459126
Energy: 14.568520518481979
Energy: 0.40954843650775413
Energy: 14.568520518481979
Energy: 0.5298217808703214
Energy: 19.57737459927404
Energy: 0.42250691264631457
Energy: 19.57737459927404
Energy: 0.5274213046798645
Energy: 0.42192436835572633
Energy: 11.945935592496083
Energy: 0.4219243683548981
Energy: 0.617133281635627
Energy: 17.022553354673676
Energy: 0.4223982248629954
Energy: 17.022553354673676
Energy: 0.6158305831662367
Energy: 26.338757299553066
Energy: 0.428546804337074
Energy: 26.338757299553066
Energy: 14.2530013197051
Energy: 0.4219769646700376
Energy: 20.168159950763727
Energy: 0.4219769646692093
Energy: 0.43430928227682875
Energy: 13.902317567728154
Energy: 18.087579488374406
Energy: 13.902317567728154
Energy: 0.43089607429538923
Energy: 0.4219475133892576
Energy: 21.37510185418994
Energy: 0.42194751338842934
Energy: 0.428411694935314
Energy: 23.22905785348929
Energy: 19.157961985491564
Energy: 23.22905785348929
Energy: 0.42770309232373405
Energy: 0.4221912804333974
Energy: 0.5450221909503686
Energy: 0.4221912804333974
Energy: 0.4215510951252414
Energy: 0.4218386755130424
Energy: 0.493283557036383
Energy: 0.4218386755146989
Energy: 0.4481421560755292
Energy: 15.47621914045298
Energy: 19.0764990903158
Energy: 15.47621914045298
Energy: 0.5278045446684978
Energy: 0.44257919457120143
Energy: 12.79191903884511
Energy: 0.4425791945720297
Energy: 0.5272003133524942
Energy: 0.42211621676732797
Energy: 10.45466846081671
Energy: 0.4221162167664998
Energy: 15.666457886970884
Energy: 0.4214437531709393
Energy: 12.429541497927826
Energy: 0.4214437531709393
Energy: 0.6159052295656285
Energy: 26.270833932339194
Energy: 0.4220328602453299
Energy: 26.270833932338366

minimum gb energy = 0.40954843650775413 eV
minimum distance =  1.07049072702589 Angstroms
sigma value = 17


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

Energy: 0.7123504208758806
Energy: 25.35640231683114
Energy: 0.5261928185606823
Energy: 22.674945936604793
Energy: 24.70792186268672
Energy: 0.42373523169995964
Energy: 0.4989581924690781
Energy: 0.4237352316984239
Energy: 0.5557665031643163
Energy: 0.42593395420687485
Energy: 14.116627643802708
Energy: 0.425933954205851
Energy: 14.085868661203467
Energy: 10.49968349490689
Energy: 0.49487639068061
Energy: 10.49968349490689
Energy: 0.4754140763908047
Energy: 17.74577587527607
Energy: 0.5141682377692243
Energy: 17.74577587527607
Energy: 0.4168790616672149
Energy: 16.678538738783686
Energy: 15.535641557489582
Energy: 16.678538738783686
Energy: 0.41672019250775577
Energy: 0.4159145499372881
Energy: 13.151498153515941
Energy: 0.4159145499388239
Energy: 0.4217941679970773
Energy: 19.555367547308933
Energy: 13.522746812289002
Energy: 19.555367547308425
Energy: 0.47411423145494214
Energy: 12.235965746161508
Energy: 17.674642003085953
Energy: 12.235965746160996
Energy: 0.49583302072934865
Energy: 0.44346311578282116
Energy: 0.495747262670167
Energy: 0.4434631157833331
Energy: 0.4709158395458349
Energy: 0.4252814931573015
Energy: 11.192688788094912
Energy: 0.4252814931567896
Energy: 0.5033345103132871
Energy: 19.23929484107089
Energy: 0.4900902612611327
Energy: 19.23929484107089
Energy: 13.426507763591248
Energy: 24.066780825252728
Energy: 0.42339500585176465
Energy: 24.066780825252728
Energy: 16.834047646384963
Energy: 0.4226359930848201
Energy: 0.4242743192133378
Energy: 0.4226359930843082
Energy: 0.5548276639576436
Energy: 11.724520983163382
Energy: 0.4292642120032804
Energy: 11.724520983162359
Energy: 14.843886604330793
Energy: 11.856807329408781
Energy: 0.44748185423364845
Energy: 11.856807329410318
Energy: 0.42473825346025496
Energy: 15.030421901620375
Energy: 13.920737357287946
Energy: 15.030421901620375
Energy: 9.55305380791487
Energy: 0.422958620483214
Energy: 18.4160766736867
Energy: 0.422958620483214
Energy: 0.45259086623490646
Energy: 0.4234383997136502
Energy: 0.5790081593796549
Energy: 0.4234383997136502
Energy: 0.43141039175389323
Energy: 25.00404238796777
Energy: 0.4156508945868809
Energy: 25.00404238796777
Energy: 13.732521833644535
Energy: 0.42343719242510286
Energy: 21.07226408825126
Energy: 0.4234371924261267
Energy: 13.64177434055053
Energy: 0.4262875766195882
Energy: 0.5547415826120518
Energy: 0.42628757661907624
Energy: 0.4799787386776677
Energy: 10.532799062084777
Energy: 13.813988857502201
Energy: 10.532799062084777
Energy: 0.5029970627943012
Energy: 19.50101185275513
Energy: 0.49443062987385633
Energy: 19.50101185275513
Energy: 14.714802157407846
Energy: 15.03198930739749
Energy: 0.4167982230340645
Energy: 15.03198930739749
Energy: 20.38584891220257
Energy: 0.4162506415226293
Energy: 0.418650381144881
Energy: 0.41625064152365315
Energy: 13.608117263049284
Energy: 19.83730061016278
Energy: 0.42453874302516187
Energy: 19.83730061016278
Energy: 15.458663440920624
Energy: 0.41689502309898513
Energy: 15.07364339956062
Energy: 0.41689502309898513
Energy: 9.574462144984233
Energy: 0.4442729516341307
Energy: 0.4933967567568516
Energy: 0.44427295163310687
Energy: 11.147735017853265
Energy: 0.423796195695994
Energy: 0.4777228447104746
Energy: 0.4237961956939464
Energy: 0.47120120715187297
Energy: 23.13203879474821
Energy: 0.5873745398690062
Energy: 23.13203879474821
Energy: 0.42277336015094585
Energy: 23.47029471107737
Energy: 12.939137048943413
Energy: 23.47029471107737
Energy: 12.160986327103995
Energy: 0.42262064905048147
Energy: 0.4246715344246995
Energy: 0.42262064905099334
Energy: 0.4287201320855625
Energy: 11.70446257527619
Energy: 0.5553094340929862
Energy: 11.70446257527619
Energy: 14.629599829878735
Energy: 0.4350972325812533
Energy: 14.207805261585612
Energy: 0.43509723258176525
Energy: 13.938572118704647
Energy: 15.18469931108862
Energy: 0.4252197920680004
Energy: 15.18469931108862
Energy: 16.507727951920927
Energy: 0.42293813893569515
Energy: 9.869715011792652
Energy: 0.4229381389372309
Energy: 14.18826650760123
Energy: 18.354459046580676
Energy: 0.44176204409320025
Energy: 18.35445904658119

minimum gb energy = 0.4156508945868809 eV
minimum distance =  1.26448799356666 Angstroms
sigma value = 89


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

Energy: 28.156607787093833
Energy: 21.57605011214614
Energy: 0.38604329549319777
Energy: 14.20922460014571
Energy: 22.156967132372305
Energy: 17.39789580911984
Energy: 0.39860211485057007
Energy: 17.39789580911984
Energy: 0.3808988942311381
Energy: 0.4178430527785874
Energy: 28.737957366581828
Energy: 0.41784305277724804
Energy: 0.38284454839569715
Energy: 17.47992890573503
Energy: 0.42702076643069276
Energy: 17.47992890573503
Energy: 0.39817658715537246
Energy: 28.6280700510118
Energy: 0.4254153882347238
Energy: 28.6280700510118
Energy: 14.917273760992218
Energy: 28.57478719584711
Energy: 0.42497393315410653
Energy: 28.57478719584711
Energy: 18.379127964156687
Energy: 0.3841746088349789
Energy: 21.52939107224911
Energy: 0.3841746088349789
Energy: 0.38433515138837665
Energy: 21.251779100449507
Energy: 28.164522464996956
Energy: 21.251779100449507
Energy: 0.3983412284843875
Energy: 18.491082720253587
Energy: 0.381182075322184
Energy: 18.491082720253587
Energy: 29.78402115210326
Energy: 0.4198380846730232
Energy: 17.364940138932074
Energy: 0.4198380846730232
Energy: 0.4286845522734318
Energy: 17.555944777560907
Energy: 0.38051060795901726
Energy: 17.555944777560786
Energy: 0.4253610665805228
Energy: 0.3842809547313483
Energy: 16.111327654292186
Energy: 0.3842809547313483
Energy: 0.42539846890636707
Energy: 29.400979757034715
Energy: 0.38493754367778515
Energy: 29.400979757034715
Energy: 0.4265149765086659
Energy: 0.3840685563969317
Energy: 18.580809577122093
Energy: 0.3840685563969317
Energy: 26.71460518514782
Energy: 20.53291418646197
Energy: 0.38682151835823886
Energy: 20.53291418646197

minimum gb energy = 0.38051060795901726 eV
minimum distance =  1.10548034694663 Angstroms
sigma value = 13


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

Energy: 0.7181947937612667
Energy: 23.17320852495619
Energy: 0.5024102109520536
Energy: 23.17320852495619
Energy: 22.232835377916015
Energy: 0.37770130783812333
Energy: 0.45377712242282653
Energy: 0.3777013078386848
Energy: 13.533852480554225
Energy: 7.414506609556811
Energy: 10.392332868135064
Energy: 7.414506609555688
Energy: 0.5352374198523984
Energy: 9.300754006083961
Energy: 0.4520568971808175
Energy: 9.300754006082837
Energy: 6.521094357992622
Energy: 0.42927841712380754
Energy: 0.5783888156472445
Energy: 0.4292784171260532
Energy: 6.819568972954803
Energy: 0.3796872104449149
Energy: 0.5758487059849676
Energy: 0.3796872104449149
Energy: 7.750493383474293
Energy: 0.3784316234473938
Energy: 16.036817105179797
Energy: 0.3784316234524464
Energy: 0.4423865467474238
Energy: 22.516572601840792
Energy: 13.20346515236343
Energy: 22.516572601840792
Energy: 0.39526734026324434
Energy: 14.270041910326583
Energy: 16.70689805883462
Energy: 14.270041910326583
Energy: 0.37991686560881005
Energy: 0.37792924147740486
Energy: 18.126270386828633
Energy: 0.37792924147796625
Energy: 0.38227359150223217
Energy: 17.00996284232904
Energy: 13.412749848279661
Energy: 17.009962842327916
Energy: 12.208984098192108
Energy: 0.37922625951405525
Energy: 17.031557430099358
Energy: 0.3792262595134938
Energy: 12.86589328083907
Energy: 0.39704212321772125
Energy: 8.252408918903097
Energy: 0.397042123218844
Energy: 0.46999964742461936
Energy: 7.276285852276862
Energy: 13.24733496133432
Energy: 7.2762858522774225
Energy: 15.168550791194892
Energy: 14.538438289647551
Energy: 0.5151622820857974
Energy: 14.538438289646988
Energy: 14.787335055977291
Energy: 13.180898132447307
Energy: 0.4092234906067315
Energy: 13.180898132447867
Energy: 0.5424262301639885
Energy: 0.373363652938525
Energy: 0.40757040418812307
Energy: 0.3733636529396478
Energy: 0.5872973408583657
Energy: 19.43756203472419
Energy: 0.40852436093275835
Energy: 19.43756203472419
Energy: 0.5088631920537283
Energy: 0.3736974820455943
Energy: 0.4578448353313425
Energy: 0.37369748204615566
Energy: 0.5894719670249123
Energy: 0.3759419931806886
Energy: 10.8673462319854
Energy: 0.37594199318012717
Energy: 0.5555236371051517
Energy: 0.3743062658109349
Energy: 0.47492918296802217
Energy: 0.37430626581261905
Energy: 8.880389756294823
Energy: 0.431677083856928
Energy: 0.5755709345150899
Energy: 0.43167708385805076
Energy: 5.780663408471277
Energy: 11.404054374604238
Energy: 0.5781501933138171
Energy: 11.404054374604238
Energy: 0.41106332697667697
Energy: 0.3807933000698894
Energy: 0.4704989890589214
Energy: 0.3807933000710122
Energy: 0.4158366129208723
Energy: 21.800827171712303
Energy: 0.47465761455879113
Energy: 21.800827171711738
Energy: 0.3791156050299177
Energy: 18.59668129236655
Energy: 0.48534256211561466
Energy: 18.59668129236655
Energy: 0.3779427324957921
Energy: 0.3778457632477805
Energy: 14.150516519372013
Energy: 0.3778457632483419
Energy: 0.37839165228663507
Energy: 16.755733786620077
Energy: 13.1426410424032
Energy: 16.755733786620077
Energy: 0.5491370953176481
Energy: 0.37890172356713553
Energy: 16.337237744242028
Energy: 0.3789017235660128
Energy: 0.4769567467676308
Energy: 0.3976166787143688
Energy: 6.944974766360494
Energy: 0.39761667871549156
Energy: 0.5547158348408798
Energy: 7.236688389931272
Energy: 13.50821134450761
Energy: 7.236688389931272
Energy: 14.61120644351225
Energy: 12.81298986048019
Energy: 6.26079581692835
Energy: 12.81298986048019
Energy: 15.279906831078902
Energy: 15.368980271512614
Energy: 0.38394354228500976
Energy: 15.368980271514301
Energy: 0.5784653994789074
Energy: 0.37708578493326594
Energy: 6.611868869634049
Energy: 0.3770857849377317
Energy: 15.25236628960035
Energy: 20.60488293726527
Energy: 0.38057779484147014
Energy: 20.60488293726527

minimum gb energy = 0.373363652938525 eV
minimum distance =  1.10043531373551 Angstroms
sigma value = 37


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

Energy: 0.5837456142528585
Energy: 28.942472061034604
Energy: 0.34300732931883876
Energy: 23.861870429954447
Energy: 29.40475515167383
Energy: 15.04112348238369
Energy: 0.4428812151338697
Energy: 15.04112348238369
Energy: 0.5375042840094835
Energy: 13.978595620214701
Energy: 0.4472133544293255
Energy: 13.978595620214701
Energy: 0.535369652660633
Energy: 15.071095117250636
Energy: 0.4454693442856183
Energy: 15.071095117250636
Energy: 12.61062333631238
Energy: 0.37763929859999107
Energy: 0.44458057947792784
Energy: 0.37763929859999107
Energy: 12.932029703097365
Energy: 0.34338718945424546
Energy: 22.702701800810615
Energy: 0.3433871894552114
Energy: 0.34066037848878494
Energy: 0.3429352954794447
Energy: 21.920239957560852
Energy: 0.3429352954794447
Energy: 0.3660210897636038
Energy: 24.501247460044073
Energy: 0.5383915572219551
Energy: 24.501247460044073
Energy: 12.370462041760788
Energy: 20.96891127089733
Energy: 0.5387190179207411
Energy: 20.96891127089733
Energy: 0.3428553226184086
Energy: 15.017083960727614
Energy: 24.70070900735221
Energy: 15.017083960727614
Energy: 0.34300732937580364
Energy: 28.942472061034987
Energy: 0.5837456142538244
Energy: 28.94247206103509
Energy: 0.44288121513193796
Energy: 15.041123482384656
Energy: 24.409113700647698
Energy: 15.041123482384656
Energy: 0.4472133544293255
Energy: 13.978595620215668
Energy: 0.5375042840094835
Energy: 13.978595620215668
Energy: 0.4454693442856183
Energy: 15.071095117250636
Energy: 0.535369652660633
Energy: 15.071095117250636
Energy: 0.44458057947792784
Energy: 0.37763929859999107
Energy: 12.610623336313344
Energy: 0.37763929859999107
Energy: 17.70837125146757
Energy: 0.3433871894552114
Energy: 12.932029703097365
Energy: 0.3433871894552114
Energy: 21.920239957561822
Energy: 0.3429352954794447
Energy: 0.34066037848781905
Energy: 0.3429352954804105
Energy: 0.538391557222921
Energy: 24.50124746004504
Energy: 0.3660210897645697
Energy: 24.501247460044073
Energy: 0.5387190179207411
Energy: 20.968911270898293
Energy: 12.370462041760788
Energy: 20.968911270898293
Energy: 29.98794576815374
Energy: 15.017083960727614
Energy: 0.34285532261744267
Energy: 15.017083960727614

minimum gb energy = 0.34066037848781905 eV
minimum distance =  1.44027685739089 Angstroms
sigma value = 25


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

Energy: 0.7178989236223972
Energy: 25.962805974345738
Energy: 0.3113736787536247
Energy: 21.977868616702374
Energy: 26.56311822079502
Energy: 13.592224394340981
Energy: 0.39608548055767406
Energy: 13.592224394341734
Energy: 0.602980332610128
Energy: 12.641623898870495
Energy: 0.3952642176523784
Energy: 12.641623898870495
Energy: 0.4826493366481354
Energy: 16.760302267386795
Energy: 0.48235887858186943
Energy: 16.76030226738755
Energy: 13.651034170846497
Energy: 0.33676310757367095
Energy: 19.185811645794377
Energy: 0.33676310757367095
Energy: 0.47458308313605774
Energy: 0.33664249421921205
Energy: 18.26825619167234
Energy: 0.3366424942184579
Energy: 0.4807195293659963
Energy: 12.245287900367106
Energy: 0.6031165371291571
Energy: 12.245287900367106
Energy: 0.48202896845373067
Energy: 18.531009813717198
Energy: 0.5368382223850757
Energy: 18.531009813717198
Energy: 11.302735192259297
Energy: 0.31041412712275174
Energy: 20.542388219983366
Energy: 0.3104141271219975
Energy: 11.753948563093799
Energy: 0.310753341703456
Energy: 28.735540923961622
Energy: 0.310753341703456
Energy: 0.3107481627473101
Energy: 28.127858572862156
Energy: 0.6048763442756792
Energy: 28.127858572862156
Energy: 11.809665209098283
Energy: 0.31125386686236883
Energy: 29.03067139217018
Energy: 0.31125386686236883
Energy: 0.3115003197246383
Energy: 0.3108576923881644
Energy: 20.31168086658134
Energy: 0.3108576923874102
Energy: 0.39252038556337204
Energy: 25.70036709237595
Energy: 0.5983314858593028
Energy: 25.70036709237595
Energy: 0.3957100548581754
Energy: 0.31075257958269714
Energy: 23.11160388302873
Energy: 0.3107525795819429
Energy: 0.3957292736074947
Energy: 14.350727678149003
Energy: 17.95030483858917
Energy: 14.350727678149003
Energy: 0.5389699787820861
Energy: 16.374120916204554
Energy: 18.24363533826524
Energy: 16.374120916204554
Energy: 0.39647458754523796
Energy: 0.3387170418254078
Energy: 0.5392314531020995
Energy: 0.3387170418254078
Energy: 0.5394963706625766
Energy: 12.305229138720954
Energy: 0.47978952101598443
Energy: 12.305229138720954
Energy: 18.647560856393294
Energy: 0.37782133113282224
Energy: 0.47561059189619753
Energy: 0.37782133113357647
Energy: 0.5368549741697437
Energy: 18.721471814883085
Energy: 0.3951038288972451
Energy: 18.721471814883085
Energy: 19.18749568974006
Energy: 0.3105089318646416
Energy: 0.3112698730186862
Energy: 0.31050893186388734
Energy: 0.6035977184391297
Energy: 18.845091551613272
Energy: 0.3976888718999967
Energy: 18.845091551613272
Energy: 0.5362946312324337
Energy: 28.002905568302264
Energy: 0.31157840425099864
Energy: 28.002905568302264
Energy: 23.672558383122023
Energy: 0.3111758556479427
Energy: 12.273055290607585
Energy: 0.3111758556479427
Energy: 0.5984498759226015
Energy: 23.487120114473356
Energy: 0.31134866272272377
Energy: 23.487120114473356

minimum gb energy = 0.3104141271219975 eV
minimum distance =  1.19428071116652 Angstroms
sigma value = 41


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

Energy: 15.69858013850875
Energy: 26.29418307210794
Energy: 0.2865526558384088
Energy: 23.01355940623366
Energy: 26.88626184210211
Energy: 14.78447819833888
Energy: 0.3581842552449516
Energy: 14.784478198339498
Energy: 16.61750530552902
Energy: 12.25370160359825
Energy: 0.3583514884078047
Energy: 12.25370160359887
Energy: 0.5347725614974378
Energy: 20.37302653217143
Energy: 0.48042541193799637
Energy: 20.37302653217143
Energy: 15.871902369737366
Energy: 0.2877298290134627
Energy: 16.67618788636606
Energy: 0.2877298290134627
Energy: 0.5364581113251049
Energy: 11.458491053174667
Energy: 14.523068100202883
Energy: 11.458491053174667
Energy: 15.42619994961102
Energy: 12.559873114796355
Energy: 0.5881075308172873
Energy: 12.559873114796355
Energy: 0.5414245709101484
Energy: 0.30881552992905725
Energy: 0.48589792174363605
Energy: 0.30881552992843886
Energy: 0.4269747979241471
Energy: 0.2857437671414879
Energy: 16.646851846282047
Energy: 0.2857437671408696
Energy: 0.4240549337635343
Energy: 0.2877218463321314
Energy: 20.466959935810415
Energy: 0.28772184633089465
Energy: 0.3577619357917519
Energy: 20.183807507581434
Energy: 15.688119221279015
Energy: 20.183807507581434
Energy: 10.73623040699298
Energy: 0.2865459318336988
Energy: 20.65563849266424
Energy: 0.28654593183308047
Energy: 0.35855109454892586
Energy: 19.347747370710522
Energy: 16.534923838129394
Energy: 19.347747370711136
Energy: 0.2863601644219275
Energy: 26.49962736273124
Energy: 0.5869898928116105
Energy: 26.49962736273124
Energy: 0.2868454471511792
Energy: 0.2856599109231202
Energy: 24.99464130655516
Energy: 0.2856599109231202
Energy: 0.28933402140121356
Energy: 21.679392115566927
Energy: 14.137939150358346
Energy: 21.679392115566927
Energy: 0.3587650932208648
Energy: 24.295144438224977
Energy: 15.37491427431097
Energy: 24.295144438224977
Energy: 0.357221911129402
Energy: 0.2861718680329377
Energy: 0.640035723639402
Energy: 0.2861718680341744
Energy: 0.3580924235061631
Energy: 19.806146170256376
Energy: 0.5382660823721238
Energy: 19.806146170256376
Energy: 0.48131321177742226
Energy: 17.923811366177873
Energy: 0.5367742660722323
Energy: 17.923811366177873
Energy: 16.8355313518329
Energy: 0.2891660460029955
Energy: 10.890991639664533
Energy: 0.28916604600361384
Energy: 0.4821235232973963
Energy: 12.934822337349248
Energy: 15.535489860380418
Energy: 12.934822337349868
Energy: 16.68676534577553
Energy: 0.30640045841542524
Energy: 0.535180946386579
Energy: 0.3064004584160436
Energy: 0.4854493028710136
Energy: 0.3091993899621712
Energy: 0.48300361249760465
Energy: 0.3091993899615529
Energy: 0.5882844407472494
Energy: 10.419442296970981
Energy: 0.4307948639135056
Energy: 10.419442296970981
Energy: 14.301481195913448
Energy: 16.534898128695456
Energy: 9.447173640688572
Energy: 16.534898128696074
Energy: 15.376292928683428
Energy: 18.165328197874146
Energy: 0.3586960397049827
Energy: 18.165328197874146
Energy: 18.236828857506662
Energy: 0.2860093311548487
Energy: 11.47900241017586
Energy: 0.28600933115546706
Energy: 0.5917009185838866
Energy: 25.969811448067233
Energy: 0.3583395007089713
Energy: 25.969811448067233
Energy: 0.5901230238627615
Energy: 24.848116492605143
Energy: 0.28596636210082854
Energy: 24.848116492605143
Energy: 22.681097235445176
Energy: 0.285755098272554
Energy: 0.2865186758733616
Energy: 0.285755098272554
Energy: 15.560572457135644
Energy: 25.471215332149136
Energy: 0.2863178899529005
Energy: 25.47121533214975

minimum gb energy = 0.2856599109231202 eV
minimum distance =  1.04758751582949 Angstroms
sigma value = 15


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

Energy: 0.694861571988313
Energy: 27.554511562345805
Energy: 0.42538406921208965
Energy: 24.76502289979098
Energy: 28.307718620228222
Energy: 15.443262347229052
Energy: 0.3278861536534423
Energy: 15.443262347229052
Energy: 19.500522355847245
Energy: 0.26614726253076065
Energy: 0.32790921860198485
Energy: 0.2661472625302368
Energy: 13.552075500552846
Energy: 20.170683822158473
Energy: 0.4406898589511622
Energy: 20.170683822158473
Energy: 17.27581663977316
Energy: 0.26677033033437314
Energy: 15.008720634196939
Energy: 0.266770330334897
Energy: 14.899984305952005
Energy: 11.511674958289616
Energy: 0.43352545507655027
Energy: 11.511674958290138
Energy: 0.48519895030105514
Energy: 15.711132138153088
Energy: 0.5320300711305226
Energy: 15.71113213815361
Energy: 0.5801740070364182
Energy: 0.28586104132592544
Energy: 0.43902778558569355
Energy: 0.2858610413269731
Energy: 12.834045469055503
Energy: 10.65743093684762
Energy: 13.381363444833479
Energy: 10.657430936848144
Energy: 0.48242572783519266
Energy: 0.3282775135422851
Energy: 15.647880616032975
Energy: 0.32827751354280893
Energy: 0.439301184228359
Energy: 15.584671630468234
Energy: 13.672980445212568
Energy: 15.584671630468234
Energy: 0.38636875377589397
Energy: 0.26845221397506724
Energy: 15.298515923082858
Energy: 0.26845221397401964
Energy: 9.499647728644396
Energy: 0.26782598278786796
Energy: 13.553926768643644
Energy: 0.2678259827868203
Energy: 0.32759031207097894
Energy: 22.179738337038163
Energy: 0.5358720932723479
Energy: 22.179738337038163
Energy: 10.477208757223226
Energy: 0.26614542596482904
Energy: 18.59396787709151
Energy: 0.2661454259637814
Energy: 0.3285312162241898
Energy: 22.54197181118599
Energy: 0.6247379017393097
Energy: 22.54197181118599
Energy: 0.26604208804485063
Energy: 24.502040805014403
Energy: 13.21419623410844
Energy: 24.502040805014403
Energy: 0.26538719399931676
Energy: 0.26560124285148146
Energy: 21.8466800383331
Energy: 0.26560124285095765
Energy: 0.2734641085544704
Energy: 25.89031419655428
Energy: 0.5806036624190472
Energy: 25.890314196553756
Energy: 0.3298683642346422
Energy: 23.440682579942045
Energy: 15.430061566103879
Energy: 23.440682579942045
Energy: 0.32609291990287576
Energy: 0.2659395365078275
Energy: 18.86928791062164
Energy: 0.26593953650887514
Energy: 0.32739719962036773
Energy: 19.848854349029583
Energy: 13.484200896709897
Energy: 19.848854349029583
Energy: 0.43392550991177
Energy: 15.80206336763264
Energy: 0.5766170090522501
Energy: 15.80206336763264
Energy: 14.767319671274828
Energy: 0.26817040369022854
Energy: 14.8584758533419
Energy: 0.26817040369127615
Energy: 0.43984094066169127
Energy: 17.142250999984327
Energy: 0.4889168364330448
Energy: 17.142250999984327
Energy: 15.416849131645735
Energy: 0.32880236687157655
Energy: 17.680282973156828
Energy: 0.32880236687105274
Energy: 0.4361677385126113
Energy: 0.37347249557422235
Energy: 11.61774164172005
Energy: 0.37347249557527
Energy: 0.5347967703537849
Energy: 10.717875960010534
Energy: 13.706889809376875
Energy: 10.717875960010534
Energy: 13.03567017944256
Energy: 14.594988053772015
Energy: 0.5318661060123585
Energy: 14.594988053772015
Energy: 0.5306964849395811
Energy: 0.2684493586420271
Energy: 9.364321355777264
Energy: 0.26844935864097946
Energy: 16.734214299618486
Energy: 0.26706673692563787
Energy: 0.38624039868609067
Energy: 0.26706673692301874
Energy: 0.535001172337334
Energy: 22.164394981422507
Energy: 0.4398893863220399
Energy: 22.164394981422507
Energy: 14.077025488433536
Energy: 15.193905038099912
Energy: 0.3283131664404751
Energy: 15.193905038099912
Energy: 25.45666217875026
Energy: 0.26558548254552994
Energy: 9.621151502954701
Energy: 0.26558548254552994
Energy: 13.694094670560014
Energy: 25.709057259135378
Energy: 0.32634080405532684
Energy: 25.709057259135378
Energy: 16.60347114956324
Energy: 0.26591773630874477
Energy: 0.2701139958756802
Energy: 0.26591773630874477
Energy: 0.6667656519293207
Energy: 17.928708462654388
Energy: 0.267340052787947
Energy: 17.928708462654388

minimum gb energy = 0.26538719399931676 eV
minimum distance =  1.3553901734957 Angstroms
sigma value = 85


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

Energy: 12.20044564877919
Energy: 26.089885209447072
Energy: 0.23897025930097127
Energy: 23.66268535374337
Energy: 26.836592601607357
Energy: 14.212365924371403
Energy: 0.29270605544520234
Energy: 14.212365924371857
Energy: 0.5973678980115146
Energy: 15.518786564072622
Energy: 0.29171215933507694
Energy: 15.518786564072622
Energy: 0.5122388468013493
Energy: 22.44583074267102
Energy: 0.3865443620952941
Energy: 22.44583074267148
Energy: 18.358181627505683
Energy: 0.23799058232904508
Energy: 13.458609634831394
Energy: 0.2379905823299537
Energy: 0.5140686710105407
Energy: 0.23820301600542682
Energy: 0.38737653303515385
Energy: 0.23820301600542682
Energy: 11.389039677687594
Energy: 16.519809408639436
Energy: 0.4720934916207189
Energy: 16.519809408639436
Energy: 0.6155756282092952
Energy: 0.2384393902925396
Energy: 0.3886990985385818
Energy: 0.23843939029163094
Energy: 14.018956313260189
Energy: 10.409398082222037
Energy: 0.47297693850092193
Energy: 10.409398082222491
Energy: 13.586422419291882
Energy: 10.396626116438346
Energy: 0.5559420288079864
Energy: 10.396626116438346
Energy: 0.472234523970274
Energy: 13.002175255289034
Energy: 12.214430592881852
Energy: 13.002175255289487
Energy: 11.83322815598079
Energy: 0.2383173155976616
Energy: 12.272534533392843
Energy: 0.23831731583650514
Energy: 10.872122392580955
Energy: 0.23820488878693052
Energy: 0.555827036237152
Energy: 0.23820488878783913
Energy: 0.38678294521821943
Energy: 16.594760555516398
Energy: 0.470926631559122
Energy: 16.59476055551685
Energy: 0.3435095079238208
Energy: 0.23801295379329787
Energy: 14.168054589944234
Energy: 0.23801295379284357
Energy: 0.38772186608101283
Energy: 19.12921865648256
Energy: 0.5561188546505246
Energy: 19.12921865648256
Energy: 0.29161110825522935
Energy: 20.706431358308922
Energy: 11.305652224266742
Energy: 20.706431358308922
Energy: 9.174787552238342
Energy: 0.23782236245149008
Energy: 19.194991332327188
Energy: 0.23782236245103577
Energy: 0.290633399940396
Energy: 24.40536142958808
Energy: 14.233564378171186
Energy: 24.40536142958808
Energy: 0.23811897145995012
Energy: 22.74856928857743
Energy: 13.3626680817148
Energy: 22.74856928857743
Energy: 0.23865149182403894
Energy: 0.23796314657507814
Energy: 23.17827460447549
Energy: 0.23796314657507814
Energy: 0.23809022567724125
Energy: 25.6823533117921
Energy: 11.811335536697708
Energy: 25.6823533117921
Energy: 0.29333896058178005
Energy: 20.801803036931787
Energy: 17.001314572963256
Energy: 20.801803036931787
Energy: 0.2916468718093419
Energy: 0.23773452137062223
Energy: 21.42579772888003
Energy: 0.23773452137107656
Energy: 0.2917413440813431
Energy: 22.952149673867684
Energy: 0.5123488534952213
Energy: 22.952149673867684
Energy: 0.38734644341398095
Energy: 0.2379750232926602
Energy: 19.92068656741518
Energy: 0.23797502329220588
Energy: 12.369681282552301
Energy: 0.23820889175166005
Energy: 13.969031116504178
Energy: 0.23820889174711699
Energy: 0.47213377990765065
Energy: 16.985828148586762
Energy: 12.100224228891443
Energy: 16.985828148586307
Energy: 14.819420716146029
Energy: 0.23856431716815493
Energy: 15.230344325306186
Energy: 0.23856431716724635
Energy: 13.50141625308495
Energy: 0.23850160387161848
Energy: 12.10011735688454
Energy: 0.2385016038707099
Energy: 0.5583053189520482
Energy: 10.833822562034195
Energy: 0.43171622831646844
Energy: 10.833822562034195
Energy: 11.943377146706354
Energy: 0.27025859029422694
Energy: 0.55882484831081
Energy: 0.2702585903205769
Energy: 16.528016373960856
Energy: 0.23834755418294534
Energy: 0.4298641964025696
Energy: 0.23834755418294534
Energy: 15.891511913845118
Energy: 0.23825033541502533
Energy: 0.4306529760395008
Energy: 0.23825033541547969
Energy: 0.4707238449690556
Energy: 16.843689869195
Energy: 0.38681788272938206
Energy: 16.84368986919409
Energy: 19.982251933646165
Energy: 0.23778355850030924
Energy: 10.057242036609509
Energy: 0.23778355851437225
Energy: 14.351031806701062
Energy: 0.238028934568916
Energy: 9.01547473917329
Energy: 0.2380289345693703
Energy: 12.125138142206625
Energy: 21.366783292039994
Energy: 0.29171395400301303
Energy: 21.366783292039994
Energy: 21.129723809220657
Energy: 0.237852528361636
Energy: 8.96484594449838
Energy: 0.23785252836209034
Energy: 12.28507170122165
Energy: 20.78757538688284
Energy: 0.29223573522897056
Energy: 20.78757538688284
Energy: 0.5538113349273011
Energy: 25.91741448187657
Energy: 0.238002085351683
Energy: 25.91741448187657
Energy: 22.407372574515193
Energy: 0.23789103487322685
Energy: 0.23854144675705888
Energy: 0.23789103487322685
Energy: 0.5948061338241101
Energy: 24.270656290476282
Energy: 0.23826628705819497
Energy: 24.270656290476282

minimum gb energy = 0.23773452137062223 eV
minimum distance =  1.14816668772356 Angstroms
sigma value = 113


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

Energy: 0.011030575087750658
Energy: 39.34423955665064
Energy: 0.5511759231162318
Energy: 39.34423955665064
Energy: 39.91236805942178
Energy: 40.200005158233324
Energy: 59.03087364206991
Energy: 40.200005158233324
Energy: 0.01160454342172812
Energy: 40.67727082213359
Energy: 0.3611272629615415
Energy: 40.677270822133245
Energy: 0.012243191826932474
Energy: 39.6196808792018
Energy: 0.36081059401736415
Energy: 39.6196808792018
Energy: 40.63121012014805
Energy: 40.027245582095354
Energy: 61.94757133654719
Energy: 40.027245582095354
Energy: 0.011396354551309619
Energy: 41.52126857876381
Energy: 0.3610885645371258
Energy: 41.52126857876346

minimum gb energy = 0.011030575087750658 eV
minimum distance =  1.21848507661489 Angstroms
sigma value = 1