Model name: model_name=Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_000
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=4.066269248723984
cohesive_energy=3.355673813773726
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: -0.05315634376265523
Energy: -0.05274066147478664
Energy: 0.14366788052162596
Energy: -0.05274066147478664
Energy: -0.05274066147478664
Energy: 0.5037126612860046
Energy: -0.05274066147478664
Energy: 0.5037126612855088
Energy: 0.14366788052162596
Energy: -0.05274066147478664
Energy: -0.05315634376265523
Energy: -0.05274066147478664
Energy: -0.05274066147431846
Energy: 0.5037126612850407
Energy: -0.05274066147528236
Energy: 0.5037126612855088

minimum gb energy = -0.05315634376265523 eV
minimum distance =  2.77624143822346 Angstroms
sigma value = 1


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

Energy: 0.3795715879916284
Energy: 0.41774363965515127
Energy: 0.37223440791500934
Energy: 0.4177436396557525
Energy: 0.3619735153881052
Energy: 0.3769053960429865
Energy: 0.3719636939633074
Energy: 0.37690539604779616
Energy: 0.3098234958734628
Energy: 0.39470459572484334
Energy: 0.35349250143849065
Energy: 0.39470459572424227
Energy: 0.3299988289867985
Energy: 0.35353374013628575
Energy: 0.33233793902005765
Energy: 0.3535337401374882
Energy: 0.32963101660716365
Energy: 0.4211594767648365
Energy: 0.33894443140284314
Energy: 0.4211594767618304
Energy: 0.3445076109898944
Energy: 0.4888161320945684
Energy: 0.3053695171781813
Energy: 0.48881613209754715
Energy: 0.3639647211894783
Energy: 0.3755966031825654
Energy: 0.35209445747585866
Energy: 0.3755966031849702
Energy: 0.3066986445685054
Energy: 0.4215370438122316
Energy: 0.28655195644600906
Energy: 0.4215370438122316
Energy: 0.3507402232307414
Energy: 0.7010774385799049
Energy: 0.341622369335595
Energy: 0.7010774385799049
Energy: 0.3012405634275152
Energy: 0.3941198609166972
Energy: 0.28545435606006436
Energy: 0.3941198609178996
Energy: 0.3595284706653626
Energy: 0.39846705459469445
Energy: 0.35043668361127467
Energy: 0.39846705459289083
Energy: 0.3422432551019241
Energy: 0.42149671508098857
Energy: 0.325764328892217
Energy: 0.42149671508098857
Energy: 0.35232600280297366
Energy: 0.35468863675817375
Energy: 0.3613887468322314
Energy: 0.3546886367587749
Energy: 0.3561121455875393
Energy: 0.40735365904991727
Energy: 0.33018415919206556
Energy: 0.4073536590469112
Energy: 0.3383614082728582
Energy: 0.4180151311028982
Energy: 0.4120592826089908
Energy: 0.41801513110891025
Energy: 0.33826922584881974
Energy: 0.3886757313799989
Energy: 0.4166672196205781
Energy: 0.3886757313806001
Energy: 0.35352125845786825
Energy: 0.394696976694063
Energy: 0.31977822640511727
Energy: 0.3946969766922594
Energy: 0.37178120930928193
Energy: 0.3792197072955533
Energy: 0.3629542746006261
Energy: 0.37921970729735693
Energy: 0.27854949865163436
Energy: 0.4200026316441603
Energy: 0.3251336030952701
Energy: 0.4200026316429579
Energy: 0.3681625813126469
Energy: 0.6582342474215818
Energy: 0.3473234922863262
Energy: 0.6582342474233854
Energy: 0.3029740870076361
Energy: 0.3947260568127569
Energy: 0.28502479750530496
Energy: 0.3947260568127569
Energy: 0.3462979083002414
Energy: 0.4724171698500447
Energy: 0.34037177295494997
Energy: 0.47241716985064597
Energy: 0.3358148520708146
Energy: 0.4206841502866592
Energy: 0.3219550951103812
Energy: 0.4206841502866592
Energy: 0.3216469689887714
Energy: 0.39452559773238993
Energy: 0.34863358131602296
Energy: 0.39452559773299106
Energy: 0.34427116676952946
Energy: 0.4873187339694728
Energy: 0.36147344514171337
Energy: 0.48731873396827036
Energy: 0.33407069351282925
Energy: 0.4210951717515182
Energy: 0.3257195603886955
Energy: 0.42109517175572664
Energy: 0.3460421527603522
Energy: 0.5143547682604183
Energy: 0.3521359212736632
Energy: 0.5143547682580133
Energy: 0.3064014222435699
Energy: 0.3931053849666128
Energy: 0.3519911162416443
Energy: 0.39310538496601155
Energy: 0.37001764814381266
Energy: 0.373646700074479
Energy: 0.35956057726489
Energy: 0.37364670007568135
Energy: 0.38021392762642087
Energy: 0.4182274553710381
Energy: 0.3439277330541476
Energy: 0.41822745537163925
Energy: 0.34842546689474196
Energy: 0.3510426689877006
Energy: 0.35289556173259784
Energy: 0.35104266898228975
Energy: 0.32235552279992685
Energy: 0.3968458332568446
Energy: 0.3561308273884184
Energy: 0.3968458332568446
Energy: 0.3298721203230435
Energy: 0.35977591958292315
Energy: 0.3323776154915285
Energy: 0.3597759195823219

minimum gb energy = 0.27854949865163436 eV
minimum distance =  2.35797658421302 Angstroms
sigma value = 1


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

Energy: 0.4261874222168417
Energy: 0.4978104312234759
Energy: 0.41878140266392544
Energy: 0.4978104312234759
Energy: 0.3867790564292043
Energy: 0.45112661278744115
Energy: 0.41680067104597995
Energy: 0.45112661278949767
Energy: 0.36333677020958854
Energy: 0.5064484879198041
Energy: 0.40133402098299614
Energy: 0.5064484879191186
Energy: 0.3598441115886222
Energy: 0.39544181821721863
Energy: 0.39007172772955184
Energy: 0.3954418182137912
Energy: 0.3598495079028985
Energy: 0.46711928667858044
Energy: 0.3592456128999731
Energy: 0.4671192866758385
Energy: 0.4272092320427327
Energy: 0.46704995806994964
Energy: 0.3628217275940855
Energy: 0.46704995806994964
Energy: 0.3599674559815836
Energy: 0.5273940435738342
Energy: 0.3968393593149502
Energy: 0.5273940435731487
Energy: 0.33678670131604466
Energy: 0.49929453552889147
Energy: 0.3406248846812774
Energy: 0.4992945355261495
Energy: 0.3678879570437845
Energy: 0.7534308706894741
Energy: 0.41372904066724664
Energy: 0.7534308706894741
Energy: 0.35954187346859995
Energy: 0.4990831125416045
Energy: 0.3594398244017081
Energy: 0.49908311254091897
Energy: 0.3611447403893378
Energy: 0.4462254604013308
Energy: 0.41649711606738
Energy: 0.4462254604013308
Energy: 0.351636182764745
Energy: 0.4815281933208526
Energy: 0.39952849918226546
Energy: 0.48152819331811064
Energy: 0.4267234716445846
Energy: 0.46509536409297336
Energy: 0.3788594666799911
Energy: 0.46509536409297336
Energy: 0.4267470572762675
Energy: 0.4649892984419799
Energy: 0.3567327030432576
Energy: 0.46498929844266534
Energy: 0.35165748430976856
Energy: 0.48153804619213036
Energy: 0.3997328770192682
Energy: 0.48153804619075946
Energy: 0.36092887343248614
Energy: 0.44966288790411385
Energy: 0.41644834825402655
Energy: 0.4496628879061703
Energy: 0.35954100492061186
Energy: 0.4990732128520639
Energy: 0.3281203402370827
Energy: 0.4990732128520639
Energy: 0.36790404302062846
Energy: 0.7534233747469326
Energy: 0.4137354206889044
Energy: 0.753423374747618
Energy: 0.33678266747128566
Energy: 0.4993692297804075
Energy: 0.34621595268574884
Energy: 0.4993692297831494
Energy: 0.36001566993938744
Energy: 0.5274406930788781
Energy: 0.3941204313886006
Energy: 0.527440693080249
Energy: 0.4268623424865902
Energy: 0.4670406565642655
Energy: 0.3555136647706973
Energy: 0.46704065656357996
Energy: 0.35989902610716545
Energy: 0.4679511373567756
Energy: 0.37644689434203077
Energy: 0.46795113735951754
Energy: 0.35988942254854556
Energy: 0.3957155687623322
Energy: 0.38992214172568374
Energy: 0.3957155687609612
Energy: 0.3633811667467355
Energy: 0.4992587162960914
Energy: 0.40134847135674506
Energy: 0.49925871629472046
Energy: 0.38674635093211557
Energy: 0.45196039420414325
Energy: 0.4168606991616037
Energy: 0.45196039420414325
Energy: 0.4261874222168417
Energy: 0.4978104312241614
Energy: 0.401606746142905
Energy: 0.4978104312234759
Energy: 0.3867790564340027
Energy: 0.45112661278949767
Energy: 0.4168006710466654
Energy: 0.45112661278812666
Energy: 0.36333677020890304
Energy: 0.5064484879191186
Energy: 0.39367297484687824
Energy: 0.5064484879184331
Energy: 0.35984411158656576
Energy: 0.3954418182165332
Energy: 0.3871448788598655
Energy: 0.39544181821790414

minimum gb energy = 0.3281203402370827 eV
minimum distance =  2.33500255080454 Angstroms
sigma value = 25


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

Energy: 0.4650436443686911
Energy: 0.5426413518965973
Energy: 0.5286569098445872
Energy: 0.5426413518973943
Energy: 0.42970761330511154
Energy: 0.45078697347746993
Energy: 0.42365926145884886
Energy: 0.45078697347746993
Energy: 0.4001260225439247
Energy: 0.5883371725857836
Energy: 0.42317078263433583
Energy: 0.5883371725857836
Energy: 0.3950163608355472
Energy: 0.4502551134501269
Energy: 0.43804825190965585
Energy: 0.4502551134493301
Energy: 0.4396393896050319
Energy: 0.5071312234668429
Energy: 0.39989464277621084
Energy: 0.5071312234668429
Energy: 0.5001312518234206
Energy: 0.5584796471482355
Energy: 0.49020395694484975
Energy: 0.5584796471474387
Energy: 0.42408294866804086
Energy: 0.7966652643470794
Energy: 0.481831823722468
Energy: 0.7966652643470794
Energy: 0.5434449115477292
Energy: 0.5445996324067639
Energy: 0.42303572486643465
Energy: 0.5445996324083577
Energy: 0.48149058310679593
Energy: 0.46513756459408007
Energy: 0.42404653274054727
Energy: 0.46513756459408007
Energy: 0.42430659157266226
Energy: 0.5585069759544651
Energy: 0.40953255044488607
Energy: 0.5585069759544651
Energy: 0.4175065100970773
Energy: 0.5132061753791333
Energy: 0.42327703422451984
Energy: 0.5132061753775394
Energy: 0.43865793996824426
Energy: 0.5428074757426844
Energy: 0.48202728297288655
Energy: 0.5428074757426844
Energy: 0.4232061269893991
Energy: 0.509690184785622
Energy: 0.4110476036010054
Energy: 0.5096901847880126
Energy: 0.48257605490435923
Energy: 0.46660623514171856
Energy: 0.4241380053108807
Energy: 0.46660623513853117
Energy: 0.454954179831801
Energy: 0.5452567444876076
Energy: 0.42319075808876877
Energy: 0.5452567444876076
Energy: 0.4238240517654107
Energy: 0.8205142113047802
Energy: 0.42975275484522263
Energy: 0.8205142113055771
Energy: 0.38929573905264786
Energy: 0.5589537319664164
Energy: 0.38919426293730885
Energy: 0.5589537319648228
Energy: 0.43874331351474444
Energy: 0.5010697517305728
Energy: 0.39969101140685587
Energy: 0.501069751729776
Energy: 0.39510126575390886
Energy: 0.4587670448200987
Energy: 0.4393884035977118
Energy: 0.45876704482089564
Energy: 0.43050102288910047
Energy: 0.5585250771097573
Energy: 0.42332357360356754
Energy: 0.5585250771105542
Energy: 0.4509205268743539
Energy: 0.4573479680330521
Energy: 0.4235604068609618
Energy: 0.4573479680330521
Energy: 0.4661732169873427
Energy: 0.5432721403000299
Energy: 0.4743397191869954
Energy: 0.5432721403000299
Energy: 0.42322483545781253
Energy: 0.45486985279789915
Energy: 0.4233694089014074
Energy: 0.4548698527971023
Energy: 0.3996104101754589
Energy: 0.5954939005064341
Energy: 0.42433079372075194
Energy: 0.5954939005080278
Energy: 0.4235367284559431
Energy: 0.6410012893679796
Energy: 0.43089934945365554
Energy: 0.6410012893687584

minimum gb energy = 0.38919426293730885 eV
minimum distance =  2.40520254872268 Angstroms
sigma value = 9


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

Energy: 0.4890961360452538
Energy: 0.6305872474759117
Energy: 0.5945963726983868
Energy: 0.630587247474961
Energy: 0.5250541139024542
Energy: 0.49969429070266713
Energy: 0.44681024803261954
Energy: 0.49969429070266713
Energy: 0.44294683040018273
Energy: 0.6350470296313937
Energy: 0.4529380665480461
Energy: 0.6350470296295142
Energy: 0.4913451024289369
Energy: 0.5281255772172586
Energy: 0.4986766509078604
Energy: 0.528125577216308
Energy: 0.5759941972440122
Energy: 0.5476891004172285
Energy: 0.4626622849704408
Energy: 0.5476891004172285
Energy: 0.4381023508954464
Energy: 0.5621427306998791
Energy: 0.49826923376321014
Energy: 0.5621427306998791
Energy: 0.48451855083444173
Energy: 0.6827642429657558
Energy: 0.508873765778854
Energy: 0.6827642429667063
Energy: 0.5166351779399058
Energy: 0.562262450591004
Energy: 0.48374113713391814
Energy: 0.562262450591004
Energy: 0.4848757229611529
Energy: 0.5504408818711741
Energy: 0.44733326699878523
Energy: 0.5504408818711741
Energy: 0.490944716225891
Energy: 0.5643254784309166
Energy: 0.49844314939564544
Energy: 0.5643254784318672
Energy: 0.4602110899369268
Energy: 0.6088340017700747
Energy: 0.47021746751806087
Energy: 0.6088340017710253
Energy: 0.4915767752727457
Energy: 0.5405223895030641
Energy: 0.49899501703091587
Energy: 0.5405223895030641
Energy: 0.43771288290870286
Energy: 0.635209067957883
Energy: 0.4254276469813165
Energy: 0.6352090679607347
Energy: 0.5691731831269137
Energy: 0.8806891394452002
Energy: 0.4468781322954995
Energy: 0.8806891394452002
Energy: 0.4377156300126839
Energy: 0.6352308952991979
Energy: 0.4696596494339137
Energy: 0.6352308952991979
Energy: 0.491537480734195
Energy: 0.540473013635299
Energy: 0.49896427610600974
Energy: 0.5404730136343484
Energy: 0.4602150690780571
Energy: 0.6088331918289447
Energy: 0.46466256417908164
Energy: 0.6088331918308458
Energy: 0.49092990065267067
Energy: 0.5643232210058278
Energy: 0.4984057702267923
Energy: 0.5643232210058278
Energy: 0.48480993540931244
Energy: 0.5504329186812974
Energy: 0.4648995223079505
Energy: 0.5504329186812974
Energy: 0.5166117900935435
Energy: 0.5622441291907396
Energy: 0.4838123467642629
Energy: 0.5622441291916902
Energy: 0.48442336081031767
Energy: 0.6827808092162789
Energy: 0.5087974396064777
Energy: 0.6827808092153282

minimum gb energy = 0.4254276469813165 eV
minimum distance =  2.50869980264404 Angstroms
sigma value = 25


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

Energy: 0.47944193728447193
Energy: 0.605785585025095
Energy: 0.5244909094367413
Energy: 0.605785585025095
Energy: 0.44495327119551153
Energy: 0.4791981000341619
Energy: 0.4209440940038276
Energy: 0.4791981000341619
Energy: 0.4079139367548918
Energy: 0.5216381278947521
Energy: 0.41850303268105427
Energy: 0.5216381278935764
Energy: 0.4723651746465144
Energy: 0.5195214536521027
Energy: 0.5376724987862106
Energy: 0.5195214536497782
Energy: 0.54124050842728
Energy: 0.44479751050323013
Energy: 0.4404710377379568
Energy: 0.44479751050323013
Energy: 0.4161224136633811
Energy: 0.5149839713742568
Energy: 0.4163843444767723
Energy: 0.5149839713754324
Energy: 0.4209026731697127
Energy: 0.451875366254226
Energy: 0.42054450386400233
Energy: 0.4518753662554016
Energy: 0.5354174816370589
Energy: 0.6063569930026901
Energy: 0.47238364162905916
Energy: 0.6063569930038655
Energy: 0.4184566496130299
Energy: 0.5429026245387008
Energy: 0.43863460554026457
Energy: 0.5429026245387008
Energy: 0.5932610486212376
Energy: 0.5045811058354138
Energy: 0.41621913999989096
Energy: 0.5045811058365893
Energy: 0.40197074692074014
Energy: 0.5196487341172858
Energy: 0.6526161824251533
Energy: 0.5196487341172858
Energy: 0.4209082082255346
Energy: 0.7640158248936895
Energy: 0.5956100998435364
Energy: 0.7640158248936895
Energy: 0.514983311614907
Energy: 0.5723910461843164
Energy: 0.40780479672789954
Energy: 0.5723910461843164
Energy: 0.4215498729035046
Energy: 0.5224626120418483
Energy: 0.4727098666850013
Energy: 0.5224626120418483
Energy: 0.44427854098912717
Energy: 0.5221931851967443
Energy: 0.5385630498646766
Energy: 0.5221931851955687
Energy: 0.4390882903374787
Energy: 0.5724515593415453
Energy: 0.41616189632033146
Energy: 0.5724515593415453
Energy: 0.4184702041917648
Energy: 0.4719073156138489
Energy: 0.5947614379254126
Energy: 0.47190731561267335

minimum gb energy = 0.40197074692074014 eV
minimum distance =  2.39910912374334 Angstroms
sigma value = 17


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

Energy: 0.43964535798860316
Energy: 0.4308180332119703
Energy: 0.557015343876131
Energy: 0.4308180332126361
Energy: 0.4653864280766112
Energy: 0.427294409290114
Energy: 0.38784856640897136
Energy: 0.4272944092894482
Energy: 0.5156904357291527
Energy: 0.47834270246985316
Energy: 0.38747343269066653
Energy: 0.47834270247118477
Energy: 0.3896487967005956
Energy: 0.48559030049427643
Energy: 0.41832760399235513
Energy: 0.4855903004936106
Energy: 0.5393087758440541
Energy: 0.5693158240478046
Energy: 0.3889955968618292
Energy: 0.5693158240471388
Energy: 0.41861572030725436
Energy: 0.4170846695503231
Energy: 0.4285164789897567
Energy: 0.41708466955232043
Energy: 0.38884041042651135
Energy: 0.42905362026468163
Energy: 0.3873688464652322
Energy: 0.42905362026335003
Energy: 0.4608718901970082
Energy: 0.50698835945735
Energy: 0.4156781306481122
Energy: 0.5069883594586816
Energy: 0.4178776646452029
Energy: 0.44275163934561407
Energy: 0.4885599873526103
Energy: 0.44275163934827727
Energy: 0.5953696748504745
Energy: 0.4530493418032986
Energy: 0.38800656369843195
Energy: 0.4530493418039644
Energy: 0.3891859143486322
Energy: 0.5070531795143045
Energy: 0.4912165295779327
Energy: 0.5070531795163018
Energy: 0.41570935510395635
Energy: 0.4274501184747043
Energy: 0.4154864576453956
Energy: 0.4274501184747043
Energy: 0.4529762494280602
Energy: 0.4160439959173771
Energy: 0.4155533613708854
Energy: 0.4160439959180429
Energy: 0.38805214048404096
Energy: 0.5538077088613647
Energy: 0.5056915139224535
Energy: 0.5538077088606987
Energy: 0.4482757165732541
Energy: 0.43985898499212844
Energy: 0.417889790071185
Energy: 0.4398589849927942
Energy: 0.4911442737719933
Energy: 0.5037415169832489
Energy: 0.4596592565998171
Energy: 0.503741516982583
Energy: 0.3873697588601941
Energy: 0.4166775219342161
Energy: 0.5416181469528923
Energy: 0.41667752193488183
Energy: 0.4876937139906923
Energy: 0.4020355960452975
Energy: 0.41862748648117826
Energy: 0.4020355960433
Energy: 0.40256371091022225
Energy: 0.4335617733252011
Energy: 0.4699270883153406
Energy: 0.433561773325867
Energy: 0.3881644163291643
Energy: 0.4909392224039608
Energy: 0.3898742380002122
Energy: 0.49093922240262916
Energy: 0.40692185347907656
Energy: 0.47363642144850093
Energy: 0.5158450537289822
Energy: 0.47363642145049833
Energy: 0.38778616568046204
Energy: 0.6642357624093463
Energy: 0.534860775023803
Energy: 0.6642357624080147
Energy: 0.49796924963495137
Energy: 0.5029193250715461
Energy: 0.3923354404552757
Energy: 0.5029193250702144
Energy: 0.41625505672375623
Energy: 0.4351938830023027
Energy: 0.48204230657431635
Energy: 0.4351938830029685
Energy: 0.41813305316609617
Energy: 0.4785831488135378
Energy: 0.4835557415376147
Energy: 0.4785831488122062
Energy: 0.5092411309144348
Energy: 0.5068924475336827
Energy: 0.3898241267445779
Energy: 0.5068924475330169
Energy: 0.38881774756185966
Energy: 0.5270185242833152
Energy: 0.6383731215908187
Energy: 0.5270185242826493
Energy: 0.4685895190070149
Energy: 0.5334832658614653
Energy: 0.48213859924718944
Energy: 0.5334832658621311
Energy: 0.5424032765032226
Energy: 0.48506858568948114
Energy: 0.3894020237440242
Energy: 0.48506858568948114
Energy: 0.4158160215339489
Energy: 0.4327290009286621
Energy: 0.48573624873255183
Energy: 0.4327290009273305

minimum gb energy = 0.3873688464652322 eV
minimum distance =  2.31827137443559 Angstroms
sigma value = 53


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

Energy: 0.3726626928515959
Energy: 0.3721271013298488
Energy: 0.6113188355528363
Energy: 0.3721271013298488
Energy: 0.5807422658593174
Energy: 0.37460866776954105
Energy: 0.4356153105440451
Energy: 0.3746086677710738
Energy: 0.37341755832647716
Energy: 0.5079140946029131
Energy: 0.4357625479492517
Energy: 0.5079140946044459
Energy: 0.37336961667247553
Energy: 0.5079131604176256
Energy: 0.33003535621798397
Energy: 0.5079131604176256
Energy: 0.5807076232280264
Energy: 0.3745994160138005
Energy: 0.44819561247442324
Energy: 0.3745994160138005
Energy: 0.3726626928500631
Energy: 0.3721271013298488
Energy: 0.6113188355497708
Energy: 0.3721271013298488
Energy: 0.5807422658562518
Energy: 0.3746086677710738
Energy: 0.4482032551594812
Energy: 0.3746086677710738
Energy: 0.3734175583234116
Energy: 0.5079140946044459
Energy: 0.4899340270739037
Energy: 0.5079140946044459
Energy: 0.37336961667247553
Energy: 0.5079131604160927
Energy: 0.3300353562195167
Energy: 0.5079131604160927
Energy: 0.5807076232310919
Energy: 0.3745994160138005
Energy: 0.44819561247442324
Energy: 0.3745994160138005
Energy: 0.3726626928500631
Energy: 0.3721271013298488
Energy: 0.5658356030352373
Energy: 0.3721271013298488
Energy: 0.5807422658593174
Energy: 0.3746086677710738
Energy: 0.4482032551564156
Energy: 0.3746086677710738
Energy: 0.3734175583249444
Energy: 0.5079140946044459
Energy: 0.4899340270754365
Energy: 0.5079140946044459

minimum gb energy = 0.33003535621798397 eV
minimum distance =  2.24802437647026 Angstroms
sigma value = 9


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

Energy: 0.3957620786529248
Energy: 0.4451632471032262
Energy: 0.5422175636496619
Energy: 0.4451632471020916
Energy: 0.5570833120698586
Energy: 0.393631740575754
Energy: 0.3658010998450555
Energy: 0.3936317405751867
Energy: 0.3504360948335302
Energy: 0.49577137528261517
Energy: 0.3560408449243029
Energy: 0.49577137528374965
Energy: 0.42248603059507017
Energy: 0.4624409208908323
Energy: 0.3659137469207145
Energy: 0.46244092088856303
Energy: 0.49673469794903646
Energy: 0.4031232121459536
Energy: 0.35011939763572825
Energy: 0.4031232121465209
Energy: 0.3686975065946778
Energy: 0.3657034754639868
Energy: 0.3986293263675208
Energy: 0.3657034754639868
Energy: 0.6126074773078728
Energy: 0.3883908097073699
Energy: 0.3667749857087384
Energy: 0.3883908097096391
Energy: 0.3759661576066009
Energy: 0.4797071151771262
Energy: 0.4277533965181356
Energy: 0.47970711517599157
Energy: 0.35396168609029277
Energy: 0.489757513325645
Energy: 0.3654991464236789
Energy: 0.489757513323943
Energy: 0.34963864661416244
Energy: 0.39003394455511975
Energy: 0.36770468181529004
Energy: 0.3900339445585236
Energy: 0.3784888320464238
Energy: 0.498657526771514
Energy: 0.5444736649455316
Energy: 0.498657526769812
Energy: 0.5496030510700535
Energy: 0.5754100338613853
Energy: 0.35634832572353586
Energy: 0.5754100338568726
Energy: 0.35632629328713666
Energy: 0.41692730530367705
Energy: 0.5109667860674939
Energy: 0.4169273053025424
Energy: 0.4274540165523169
Energy: 0.47644657954447045
Energy: 0.3933216001836485
Energy: 0.4764465795450378
Energy: 0.37858880746089474
Energy: 0.44025026702248277
Energy: 0.4414435921355496
Energy: 0.44025026702248277
Energy: 0.35621501414577017
Energy: 0.48921984008164937
Energy: 0.40727955316208697
Energy: 0.4892198400782454
Energy: 0.40463181627590483
Energy: 0.44054067674416925
Energy: 0.37837092886713775
Energy: 0.44054067673963077
Energy: 0.3779623302612959
Energy: 0.38846354885438117
Energy: 0.5042283048155495
Energy: 0.38846354885494844
Energy: 0.5086856469790763
Energy: 0.41734874892038887
Energy: 0.36632633784633095
Energy: 0.41734874892095614
Energy: 0.3454289840810682
Energy: 0.4179461667657719
Energy: 0.43463835165865444
Energy: 0.41794616676463725
Energy: 0.4212427688560737
Energy: 0.46144323619889704
Energy: 0.42449423839039596
Energy: 0.461443236200599
Energy: 0.4304227707739684
Energy: 0.43897001917424766
Energy: 0.35462092958691793
Energy: 0.43897001917424766
Energy: 0.3656282064674465
Energy: 0.47269816568454837
Energy: 0.36250023725186736
Energy: 0.4726981656834138
Energy: 0.5531987447905332
Energy: 0.4799921980858677
Energy: 0.37632981956827205
Energy: 0.47999219808643495
Energy: 0.3666984172910116
Energy: 0.5393765120438612
Energy: 0.6392063939891307
Energy: 0.5393765120415919
Energy: 0.37169608563018086
Energy: 0.366114802637546
Energy: 0.3544967629138393
Energy: 0.36611480263868057
Energy: 0.43797362419419383
Energy: 0.4559706472005586
Energy: 0.4260712665062122
Energy: 0.4559706471988567
Energy: 0.39316510686905654
Energy: 0.49666853792678195
Energy: 0.42738341197163165
Energy: 0.4966685379250801
Energy: 0.38053429539515277
Energy: 0.3694161036140285
Energy: 0.3506114368454644
Energy: 0.36941610361799965
Energy: 0.3657748707846491
Energy: 0.5399316850241009
Energy: 0.6390382191111065
Energy: 0.5399316850263702
Energy: 0.509257942460527
Energy: 0.4790691198544434
Energy: 0.37519733307649794
Energy: 0.4790691198527414
Energy: 0.3658854811115145
Energy: 0.38963975371177906
Energy: 0.34435923193159546
Energy: 0.38963975371121173
Energy: 0.3664488865697486
Energy: 0.4388786997094757
Energy: 0.3506314508705935
Energy: 0.43887869970720644
Energy: 0.4154036760526987
Energy: 0.46214030031701436
Energy: 0.42245353849392003
Energy: 0.462140300319851
Energy: 0.3556076246110603
Energy: 0.495771676846843
Energy: 0.582639420455767
Energy: 0.4957716768491123

minimum gb energy = 0.34435923193159546 eV
minimum distance =  2.34092690095817 Angstroms
sigma value = 73


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

Energy: 0.5219055619570647
Energy: 0.5255820726378594
Energy: 0.6644355993330113
Energy: 0.5255820726369593
Energy: 0.5319936572167083
Energy: 0.6087293034331177
Energy: 0.4709449321439939
Energy: 0.6087293034322176
Energy: 0.48196597573706984
Energy: 0.596222273693391
Energy: 0.4648937637558873
Energy: 0.596222273692491
Energy: 0.44419407573067554
Energy: 0.5579988138700702
Energy: 0.4874309673601477
Energy: 0.5579988138700702
Energy: 0.4786530988242152
Energy: 0.5249982630245015
Energy: 0.4633913241083002
Energy: 0.5249982630236013
Energy: 0.49626463259347475
Energy: 0.4728735182884702
Energy: 0.5415685392632726
Energy: 0.47287351828666996
Energy: 0.7327029282327812
Energy: 0.5442911351690802
Energy: 0.4726292038977362
Energy: 0.5442911351681801
Energy: 0.4530671984706021
Energy: 0.5828369993679785
Energy: 0.5989922574891678
Energy: 0.5828369993679785
Energy: 0.6078981156611818
Energy: 0.46990133356667624
Energy: 0.47017463504688234
Energy: 0.46990133356667624
Energy: 0.48527587320574866
Energy: 0.5021916510737788
Energy: 0.47039937675505916
Energy: 0.5021916510737788
Energy: 0.44456360410069706
Energy: 0.47009242631742193
Energy: 0.5937118617490184
Energy: 0.47009242631832204
Energy: 0.5450394030723068
Energy: 0.5614363213345944
Energy: 0.44533245651600195
Energy: 0.5614363213354945
Energy: 0.4878086672868185
Energy: 0.4842602263810182
Energy: 0.6646462892185203
Energy: 0.48426022638011806
Energy: 0.5754430547568218
Energy: 0.545048302110841
Energy: 0.4964956019644729
Energy: 0.545048302110841
Energy: 0.43443181007663945
Energy: 0.5929023296591354
Energy: 0.6332080741619324
Energy: 0.5929023296591354
Energy: 0.5562743909894021
Energy: 0.5960339036764396
Energy: 0.4544421487691154
Energy: 0.5960339036782397
Energy: 0.5241488807841714
Energy: 0.5224050100777367
Energy: 0.48228186702298914
Energy: 0.5224050100786368
Energy: 0.5233538494160159
Energy: 0.5586747323332079
Energy: 0.4887405268882312
Energy: 0.558674732334108
Energy: 0.5049635177074931
Energy: 0.5774906340976972
Energy: 0.4521122996672252
Energy: 0.5774906340967971
Energy: 0.4709953445392551
Energy: 0.7954671804271867
Energy: 0.7736701812404486
Energy: 0.7954671804280867
Energy: 0.5406108627646167
Energy: 0.47276890663307913
Energy: 0.4955917024994771
Energy: 0.47276890663307913
Energy: 0.4872656430079455
Energy: 0.5225140537785581
Energy: 0.5345022817880071
Energy: 0.5225140537776581

minimum gb energy = 0.43443181007663945 eV
minimum distance =  2.36576106472168 Angstroms
sigma value = 7


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

Energy: 0.43241029287337246
Energy: 0.4317766422702884
Energy: 0.5399022121236474
Energy: 0.4317766422671061
Energy: 0.5948848730029699
Energy: 0.5722146788318515
Energy: 0.42049497066132074
Energy: 0.572214678831215
Energy: 0.39774266294534777
Energy: 0.5148897586897491
Energy: 0.40961388850103536
Energy: 0.5148897586872033
Energy: 0.39792761623563555
Energy: 0.47786720007484346
Energy: 0.4203416866981636
Energy: 0.477867200074207
Energy: 0.39230521164435916
Energy: 0.45316635317737636
Energy: 0.4179398536932554
Energy: 0.4531663531780128
Energy: 0.4060077807251705
Energy: 0.461710262155133
Energy: 0.5256424332557319
Energy: 0.46171026215831523
Energy: 0.5122399242547694
Energy: 0.5677811687266268
Energy: 0.4254560141744804
Energy: 0.5677811687278996
Energy: 0.4058686433032261
Energy: 0.5468819332269659
Energy: 0.5874424540146693
Energy: 0.5468819332301482
Energy: 0.5083709294713471
Energy: 0.4728632207370687
Energy: 0.4337615470669175
Energy: 0.4728632207383416
Energy: 0.39429267382039385
Energy: 0.4823598950918941
Energy: 0.4839949245027514
Energy: 0.482359895093167
Energy: 0.3864653472292275
Energy: 0.5145027281581148
Energy: 0.42306601147153483
Energy: 0.5145027281568417
Energy: 0.44317383020069623
Energy: 0.4532973986202403
Energy: 0.40709124327580787
Energy: 0.4532973986202403
Energy: 0.4375151479952814
Energy: 0.5620272488264675
Energy: 0.4185792898002622
Energy: 0.562027248827104
Energy: 0.40753587945371317
Energy: 0.520838221943627
Energy: 0.4180359423825177
Energy: 0.5208382219455364
Energy: 0.3923890415775009
Energy: 0.5661253731218441
Energy: 0.5998480188783077
Energy: 0.5661253731199346
Energy: 0.5748149033103183
Energy: 0.4032996997595265
Energy: 0.4255935181878491
Energy: 0.40329969975825364
Energy: 0.39246674303415036
Energy: 0.45231697186788805
Energy: 0.48271660920167786
Energy: 0.45231697186852454
Energy: 0.41682188726402214
Energy: 0.49387909249763695
Energy: 0.4184435596914726
Energy: 0.49387909249763695
Energy: 0.3924327982141877
Energy: 0.5158569330989179
Energy: 0.41817455832093475
Energy: 0.5158569330989179
Energy: 0.394568180417805
Energy: 0.45473387445110086
Energy: 0.4025586442109838
Energy: 0.45473387445110086
Energy: 0.38618757260159625
Energy: 0.5151728021616437
Energy: 0.4337688092986148
Energy: 0.5151728021616437
Energy: 0.40637228900667677
Energy: 0.5676363725965997
Energy: 0.47426002578880583
Energy: 0.567636372598509
Energy: 0.5791101658535777
Energy: 0.6549385551871348
Energy: 0.41445780019284495
Energy: 0.6549385551858621
Energy: 0.432385614341817
Energy: 0.4321998540323987
Energy: 0.5143170931696381
Energy: 0.432199854034308
Energy: 0.44563454747914777
Energy: 0.454493836868437
Energy: 0.4222604330147614
Energy: 0.4544938368697099
Energy: 0.3905367922926277
Energy: 0.5134121588754651
Energy: 0.406888571442297
Energy: 0.513412158876738
Energy: 0.3979637679308536
Energy: 0.4794627999535994
Energy: 0.4766669848840622
Energy: 0.4794627999542359
Energy: 0.39835348927434233
Energy: 0.45244387285535675
Energy: 0.42020426666712585
Energy: 0.4524438728502651
Energy: 0.3977846814919813
Energy: 0.5358868535417844
Energy: 0.49153937144700627
Energy: 0.5358868535449667
Energy: 0.6146029010077823
Energy: 0.4580203610003291
Energy: 0.4203759952664195
Energy: 0.4580203609933281
Energy: 0.3977658452641654
Energy: 0.5357961649871864
Energy: 0.5274304407835237
Energy: 0.5357961649859135

minimum gb energy = 0.38618757260159625 eV
minimum distance =  2.2506218119539 Angstroms
sigma value = 29


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

Energy: 0.5210799405634997
Energy: 0.5931042757651606
Energy: 0.635692896949809
Energy: 0.5931042757656039
Energy: 0.4402331669575642
Energy: 0.6218313277894569
Energy: 0.5223851066366859
Energy: 0.6218313277885947
Energy: 0.4227171545450214
Energy: 0.5427424981753505
Energy: 0.5606851572046188
Energy: 0.5427424981744637
Energy: 0.5211616064277087
Energy: 0.5462203147992271
Energy: 0.5221986697750755
Energy: 0.5462203148016164
Energy: 0.5213675857406495
Energy: 0.6447547746380413
Energy: 0.4383828623659347
Energy: 0.6447547746378196
Energy: 0.3994219083557746
Energy: 0.5408361171909764
Energy: 0.39941006466502155
Energy: 0.5408361171907545
Energy: 0.39954534072932696
Energy: 0.644860446636706
Energy: 0.5215294518991099
Energy: 0.6448604466371495
Energy: 0.522360006390626
Energy: 0.5462352026229318
Energy: 0.5211719071281495
Energy: 0.5462352026231289
Energy: 0.5606908016209505
Energy: 0.5428085088298849
Energy: 0.43958373421818614
Energy: 0.5428085088314121

minimum gb energy = 0.39941006466502155 eV
minimum distance =  2.45510294695836 Angstroms
sigma value = 5


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

Energy: 0.4637089049740232
Energy: 0.4397199759178288
Energy: 0.4804275440570233
Energy: 0.43971997591662637
Energy: 0.4386035854052562
Energy: 0.5876395199557461
Energy: 0.39559577479477526
Energy: 0.5876395199551451
Energy: 0.4033599787118946
Energy: 0.5226567085834805
Energy: 0.5009267061762003
Energy: 0.5226567085852841
Energy: 0.3685876142136735
Energy: 0.4632482727433243
Energy: 0.42753999587719904
Energy: 0.4632482727421219
Energy: 0.4308118947760606
Energy: 0.5808020424774883
Energy: 0.5181963186397026
Energy: 0.5808020424780895
Energy: 0.4388264143981748
Energy: 0.4923188278861613
Energy: 0.3995299242342501
Energy: 0.4923188278837565
Energy: 0.4032158808705255
Energy: 0.47246740257042286
Energy: 0.4025124091389033
Energy: 0.47246740256922043
Energy: 0.40269060199744927
Energy: 0.4932696478382227
Energy: 0.40667335277717054
Energy: 0.4932696478388239
Energy: 0.43105320108682416
Energy: 0.5812183423387524
Energy: 0.38164643061590947
Energy: 0.5812183423447643
Energy: 0.4289339066196391
Energy: 0.47616371242443567
Energy: 0.37257530463831656
Energy: 0.47616371242263206
Energy: 0.39152685520663655
Energy: 0.5258760235999328
Energy: 0.40122738582356454
Energy: 0.525876023597528
Energy: 0.3996284524840512
Energy: 0.5071108763855904
Energy: 0.4972793089505689
Energy: 0.5071108763843879
Energy: 0.41355857187672146
Energy: 0.4401215747538886
Energy: 0.4464411805685181
Energy: 0.4401215747538886
Energy: 0.43102223936725054
Energy: 0.5595299409319244
Energy: 0.4210850274908459
Energy: 0.5595299409319244
Energy: 0.6188522428275346
Energy: 0.5752387113981801
Energy: 0.4011110056866179
Energy: 0.5752387113987811
Energy: 0.42347642490904136
Energy: 0.4106762666971544
Energy: 0.42154557371369994
Energy: 0.410676266698958
Energy: 0.521442369270466
Energy: 0.5067524203749199
Energy: 0.4109829603426964
Energy: 0.5067524203749199
Energy: 0.43279677049817306
Energy: 0.4921829593709806
Energy: 0.5691119443013778
Energy: 0.4921829593679745
Energy: 0.49513372913183606
Energy: 0.4785568595866739
Energy: 0.4011745974488025
Energy: 0.4785568595866739
Energy: 0.40286824125825293
Energy: 0.5577224062438206
Energy: 0.41862740944504523
Energy: 0.5577224062438206
Energy: 0.37351245131254635
Energy: 0.5250999278250562
Energy: 0.4291070708494082
Energy: 0.5250999278238537
Energy: 0.4312072319879258
Energy: 0.4745541607196829
Energy: 0.43307746669068936
Energy: 0.4745541607190817
Energy: 0.3990709955198403
Energy: 0.5427673812905591
Energy: 0.3755337263292653
Energy: 0.5427673812905591
Energy: 0.4397356655180269
Energy: 0.5494529104286012
Energy: 0.4035833348316936
Energy: 0.5494529104273989
Energy: 0.4462322446138331
Energy: 0.45210766619431836
Energy: 0.3956913794912664
Energy: 0.45210766619251475
Energy: 0.43309701503571585
Energy: 0.5268138432375663
Energy: 0.4308653109402275
Energy: 0.5268138432375663
Energy: 0.398794662898072
Energy: 0.48319889692441104
Energy: 0.42627577158010715
Energy: 0.48319889692561346
Energy: 0.42574143686885685
Energy: 0.612052091612124
Energy: 0.42339732920582235
Energy: 0.6120520916127252
Energy: 0.398861628350158
Energy: 0.5872221892606684
Energy: 0.44837416233511
Energy: 0.5872221892600672
Energy: 0.5361239390690457
Energy: 0.5317639091325536
Energy: 0.431273948901309
Energy: 0.5317639091325536
Energy: 0.3932948545990046
Energy: 0.4183425851842307
Energy: 0.48783071649970033
Energy: 0.41834258518603423
Energy: 0.5209326874772049
Energy: 0.58339237788885
Energy: 0.4035422648610589
Energy: 0.58339237788885
Energy: 0.42418257331206505
Energy: 0.6479156076225708
Energy: 0.5120218523576746
Energy: 0.6479156076225708

minimum gb energy = 0.3685876142136735 eV
minimum distance =  2.23219160284244 Angstroms
sigma value = 1


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

Energy: 0.4850633897003073
Energy: 0.48470312616112987
Energy: 0.5817137474428378
Energy: 0.48470312616196115
Energy: 0.6835576519585846
Energy: 0.5922385192127512
Energy: 0.45823647998245814
Energy: 0.5922385192110886
Energy: 0.4184141018184296
Energy: 0.606776094539693
Energy: 0.5058350507025144
Energy: 0.606776094539693
Energy: 0.5468259921098941
Energy: 0.5104960877380075
Energy: 0.45818452632033024
Energy: 0.51049608773967
Energy: 0.41825704204049047
Energy: 0.6399606586855182
Energy: 0.45647601285375583
Energy: 0.6399606586871807
Energy: 0.48462561239293545
Energy: 0.5939739100809077
Energy: 0.45831039526421835
Energy: 0.5939739100784138
Energy: 0.41826699012686513
Energy: 0.5484027403321762
Energy: 0.4568702566622753
Energy: 0.5484027403321762
Energy: 0.41884158376285074
Energy: 0.4899844388843439
Energy: 0.4520430032004979
Energy: 0.4899844388793562
Energy: 0.4846164466614471
Energy: 0.5004073167024826
Energy: 0.45236921093668025
Energy: 0.5004073167024826
Energy: 0.48454302291863643
Energy: 0.5005038114639594
Energy: 0.45124769615516674
Energy: 0.5005038114664533
Energy: 0.41865086463196766
Energy: 0.4897882216145239
Energy: 0.45235113233867785
Energy: 0.4897882216153551
Energy: 0.4183163492439531
Energy: 0.5484308837407816
Energy: 0.45711215025605456
Energy: 0.5484308837407816
Energy: 0.48456369064793403
Energy: 0.5940795045558127
Energy: 0.45819820263555705
Energy: 0.594079504553319
Energy: 0.418265832670167
Energy: 0.6394105089643851
Energy: 0.565592072436426
Energy: 0.6394105089635538
Energy: 0.5468437566096371
Energy: 0.5104711628840208
Energy: 0.458055396929429
Energy: 0.5104711628840208
Energy: 0.4184036528471106
Energy: 0.6069217734062762
Energy: 0.4181043981438567
Energy: 0.6069217734071074
Energy: 0.6837626877182302
Energy: 0.5923394732036718
Energy: 0.4584174110104061
Energy: 0.5923394732061655
Energy: 0.48506338969947604
Energy: 0.48470312616112987
Energy: 0.5051629450127141
Energy: 0.48470312616279243
Energy: 0.683557651956922
Energy: 0.5922385192127512
Energy: 0.45823647998079553
Energy: 0.5922385192127512
Energy: 0.41841410181926086
Energy: 0.606776094539693
Energy: 0.6117993228902636
Energy: 0.6067760945388617
Energy: 0.5468259921057378
Energy: 0.5104960877380075
Energy: 0.45818452632033024
Energy: 0.5104960877363449
Energy: 0.41825704204132175
Energy: 0.6399606586871807
Energy: 0.45830584930940366
Energy: 0.6399606586863494
Energy: 0.4846256123912729
Energy: 0.5939739100767514
Energy: 0.4583103952617245
Energy: 0.5939739100800765
Energy: 0.4182669901260338
Energy: 0.5484027403338387
Energy: 0.45281497883558075
Energy: 0.5484027403330075

minimum gb energy = 0.4181043981438567 eV
minimum distance =  2.44498391556762 Angstroms
sigma value = 17


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

Energy: 0.3927559848626634
Energy: 0.3908572020431001
Energy: 0.3975079341288071
Energy: 0.3908572020441276
Energy: 0.3704894720900734
Energy: 0.4475816669285987
Energy: 0.344524874257761
Energy: 0.44758166692911244
Energy: 0.3441522174371495
Energy: 0.43913330598693767
Energy: 0.4423756516035859
Energy: 0.4391333059874515
Energy: 0.39997010809733724
Energy: 0.40822060095092644
Energy: 0.3455553287795878
Energy: 0.4082206009498989
Energy: 0.3222084544477125
Energy: 0.4784808815356459
Energy: 0.35812391780392716
Energy: 0.4784808815418114
Energy: 0.38012027342834365
Energy: 0.5164744637620771
Energy: 0.37108020721937957
Energy: 0.5164744637631047
Energy: 0.3460688189604214
Energy: 0.4600592227685522
Energy: 0.3707888887375842
Energy: 0.46005922276598327
Energy: 0.3199956805695821
Energy: 0.45132041672592726
Energy: 0.32266556477451075
Energy: 0.45132041672695494
Energy: 0.3722448695866766
Energy: 0.5096633558502786
Energy: 0.3441944706955078
Energy: 0.509663355849251
Energy: 0.3749074745063364
Energy: 0.5502661661791507
Energy: 0.3442111736182888
Energy: 0.5502661661827473
Energy: 0.34636586551005055
Energy: 0.5179914330465066
Energy: 0.3214997975179651
Energy: 0.5179914330470204
Energy: 0.3445525564791317
Energy: 0.4029963592379577
Energy: 0.32225339783499907
Energy: 0.4029963592369301
Energy: 0.3028669343303645
Energy: 0.5153591897698248
Energy: 0.3438382020146369
Energy: 0.5153591897703385
Energy: 0.32245725637538747
Energy: 0.488223996322228
Energy: 0.39845410920205515
Energy: 0.48822399632633834
Energy: 0.3211684927826846
Energy: 0.48299818025504626
Energy: 0.39335234071853326
Energy: 0.482998180252991
Energy: 0.3443402243294762
Energy: 0.48479926403349877
Energy: 0.3574526610097505
Energy: 0.48479926403247114
Energy: 0.3423595668302388
Energy: 0.4769351212886555
Energy: 0.3437457847074284
Energy: 0.4769351212876279
Energy: 0.34450700896003106
Energy: 0.47349614053795375
Energy: 0.49649302202880974
Energy: 0.47349614053795375
Energy: 0.3714983540194433
Energy: 0.5131898460711857
Energy: 0.3445300774579811
Energy: 0.5131898460696445
Energy: 0.3704406043171456
Energy: 0.36410531800193974
Energy: 0.4982044275978878
Energy: 0.3641053180065638
Energy: 0.3462439134731603
Energy: 0.435821752274179
Energy: 0.34366067480870643
Energy: 0.4358217522777756
Energy: 0.3432800935506472
Energy: 0.5145620336896758
Energy: 0.3453373232850953
Energy: 0.5145620336901895
Energy: 0.4033446948330557
Energy: 0.4903447418947246
Energy: 0.37072552167958367
Energy: 0.4903447418931832
Energy: 0.34576906316475714
Energy: 0.4498444395042147
Energy: 0.368523375984518
Energy: 0.4498444395047285
Energy: 0.4172363723406904
Energy: 0.4736050909164191
Energy: 0.34499793162707143
Energy: 0.4736050909179605
Energy: 0.3434429514638816
Energy: 0.42958632479381625
Energy: 0.3435532752765319
Energy: 0.4295863247897059
Energy: 0.34754443725576417
Energy: 0.5148997050480264
Energy: 0.3440409190187116
Energy: 0.5148997050480264
Energy: 0.39558360747453003
Energy: 0.5409118520847722
Energy: 0.3215890034995316
Energy: 0.5409118520827172
Energy: 0.40145521939503176
Energy: 0.4874588233178434
Energy: 0.3223825577877377
Energy: 0.4874588233142468
Energy: 0.3437563689240014
Energy: 0.5149481929171787
Energy: 0.3857842142621433
Energy: 0.5149481929146098
Energy: 0.3225759551187927
Energy: 0.4289945484713929
Energy: 0.34464928215470075
Energy: 0.4289945484755033
Energy: 0.32161418169631084
Energy: 0.517365973269229
Energy: 0.3452136962895092
Energy: 0.51736597326666
Energy: 0.34431556653728446
Energy: 0.5506864261846705
Energy: 0.3797840528168114
Energy: 0.5506864261851843
Energy: 0.3430268004175683
Energy: 0.504502152239005
Energy: 0.37274832184608464
Energy: 0.5045021522374635
Energy: 0.32161216804921144
Energy: 0.5068235044593742
Energy: 0.35421120971443987
Energy: 0.5068235044562915
Energy: 0.3657926106990676
Energy: 0.4009276263257943
Energy: 0.34546738762654194
Energy: 0.4009276263247667
Energy: 0.3704426294536502
Energy: 0.5161392164048738
Energy: 0.37918150692137176
Energy: 0.5161392164038463
Energy: 0.35808502224321165
Energy: 0.4790507121231927
Energy: 0.34356268020376657
Energy: 0.4790507121242203

minimum gb energy = 0.3028669343303645 eV
minimum distance =  2.34266230326127 Angstroms
sigma value = 89


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

Energy: 0.4177397878784656
Energy: 0.41682459546009515
Energy: 0.5321951018277178
Energy: 0.41682459546143946
Energy: 0.5125662884775324
Energy: 0.4635164069594618
Energy: 0.4192335071093144
Energy: 0.4635164069581174
Energy: 0.4217677035898554
Energy: 0.5643815430374025
Energy: 0.48172502148043284
Energy: 0.5643815430374025
Energy: 0.5685240050525088
Energy: 0.46320255093297086
Energy: 0.4192603940633155
Energy: 0.46320255093297086
Energy: 0.41744923513597
Energy: 0.598952040285312
Energy: 0.5121711984005514
Energy: 0.598952040285312
Energy: 0.4192366844585614
Energy: 0.4178629723922163
Energy: 0.4189695742081827
Energy: 0.4178629723935607
Energy: 0.4221068447827842
Energy: 0.5684751355827402
Energy: 0.4182588695744643
Energy: 0.5684751355813958
Energy: 0.45753911021082194
Energy: 0.6985733238989752
Energy: 0.4193752054368628
Energy: 0.6985733238989752
Energy: 0.41736518113520377
Energy: 0.4579135270806983
Energy: 0.4700786256592769
Energy: 0.45791352707935395
Energy: 0.5588594224876114
Energy: 0.5985314881376789
Energy: 0.5112948997874827
Energy: 0.5985314881376789
Energy: 0.4222209116978655
Energy: 0.4638933788686908
Energy: 0.41786679589008036
Energy: 0.4638933788686908
Energy: 0.42091411020621905
Energy: 0.5674297199421071
Energy: 0.421556121685987
Energy: 0.5674297199421071
Energy: 0.5439302548545571
Energy: 0.599127588251515
Energy: 0.4764602802632117
Energy: 0.599127588251515
Energy: 0.5117760043579158
Energy: 0.4569880862364303
Energy: 0.5118312492934581
Energy: 0.45698808623508597
Energy: 0.36773842364330717
Energy: 0.5991289634511696
Energy: 0.5438585737712431
Energy: 0.5991289634511696

minimum gb energy = 0.36773842364330717 eV
minimum distance =  2.46801240960631 Angstroms
sigma value = 13


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

Energy: 0.3542835256629782
Energy: 0.44744960396257727
Energy: 0.34026175853224927
Energy: 0.4474496039653946
Energy: 0.41707482838952387
Energy: 0.4828766526305691
Energy: 0.2742015607891222
Energy: 0.4828766526345134
Energy: 0.3025083049559793
Energy: 0.5119050990669963
Energy: 0.44518262526184144
Energy: 0.5119050990760116
Energy: 0.4996211284679699
Energy: 0.48431358869112123
Energy: 0.27399482636891537
Energy: 0.48431358869168467
Energy: 0.3027084299624109
Energy: 0.5458883958555348
Energy: 0.29537402536711393
Energy: 0.5458883958560983
Energy: 0.5415980682395374
Energy: 0.4101968116947712
Energy: 0.31547149295592114
Energy: 0.4101968116919539
Energy: 0.3026248915799561
Energy: 0.549560259515808
Energy: 0.3725763061358574
Energy: 0.5495602595174983
Energy: 0.42482384475857665
Energy: 0.5471658331373058
Energy: 0.31554793393147224
Energy: 0.5471658331367424
Energy: 0.30269192063050093
Energy: 0.47839485522549946
Energy: 0.4151624008622649
Energy: 0.4783948552249361
Energy: 0.445754141033873
Energy: 0.5806450640823868
Energy: 0.2741976760588786
Energy: 0.5806450640829502
Energy: 0.302754125814568
Energy: 0.4366206203347405
Energy: 0.3633901507880203
Energy: 0.4366206203296692
Energy: 0.31879151821367635
Energy: 0.5800408991273913
Energy: 0.2746535023024139
Energy: 0.5800408991262644
Energy: 0.35159178691403764
Energy: 0.4699386760416212
Energy: 0.270497352145179
Energy: 0.46993867604500195
Energy: 0.4953795723334515
Energy: 0.5035913841822606
Energy: 0.27466810153964666
Energy: 0.5035913841800068
Energy: 0.3028829719262253
Energy: 0.5132249569431027
Energy: 0.2705537520527626
Energy: 0.5132249569380314
Energy: 0.2875120551963475
Energy: 0.4345826490434758
Energy: 0.2746767761329392
Energy: 0.4345826490462676
Energy: 0.2867464685077794
Energy: 0.5189833237071625
Energy: 0.2749956018179224
Energy: 0.5189833237065989
Energy: 0.28702526876569745
Energy: 0.47690945890352154
Energy: 0.31777602239088276
Energy: 0.4769094589018311
Energy: 0.2868086841557797
Energy: 0.5530925239777065
Energy: 0.3179158323633794
Energy: 0.5530925239810873
Energy: 0.28680429112801414
Energy: 0.5532522771446053
Energy: 0.31801094293769677
Energy: 0.5532522771496766
Energy: 0.28712364923465983
Energy: 0.47690094922259524
Energy: 0.3176886135489048
Energy: 0.47690094922259524
Energy: 0.2867592163929504
Energy: 0.5188115067760737
Energy: 0.27499112667024644
Energy: 0.5188115067772006
Energy: 0.2872753595639408
Energy: 0.4346629049907321
Energy: 0.2746414866349845
Energy: 0.43466290498791477
Energy: 0.3028091943329011
Energy: 0.5131708526910295
Energy: 0.3737594582635797
Energy: 0.5131708526882123
Energy: 0.49545791392027627
Energy: 0.5036212831497889
Energy: 0.27464815445795865
Energy: 0.5036212831497889
Energy: 0.35149933013494306
Energy: 0.4699026926441804
Energy: 0.2656972513174844
Energy: 0.4699026926419265
Energy: 0.3188066455904511
Energy: 0.5800565768613433
Energy: 0.27471933838925333
Energy: 0.5800565768607798
Energy: 0.30260961608418857
Energy: 0.4365359878984835
Energy: 0.36052151030253926
Energy: 0.43653598789904696
Energy: 0.44583867105929775
Energy: 0.5813336160200598
Energy: 0.27408738238344166
Energy: 0.5813336160279484
Energy: 0.30259978658748204
Energy: 0.4782822627016585
Energy: 0.44273610392618434
Energy: 0.47828226270334895
Energy: 0.4249768670073581
Energy: 0.547079528275237
Energy: 0.3151700176492235
Energy: 0.547079528276364
Energy: 0.30249596794023426
Energy: 0.5496358189910209
Energy: 0.37244533333049107
Energy: 0.549635818989894
Energy: 0.5416030703113384
Energy: 0.41024089751784615
Energy: 0.3154348899777992
Energy: 0.4102408975161558
Energy: 0.302483955534364
Energy: 0.5458287058699548
Energy: 0.290804677418645
Energy: 0.5458287058710818
Energy: 0.499562210332359
Energy: 0.48420882415242505
Energy: 0.27408654806856364
Energy: 0.48420882415242505

minimum gb energy = 0.2656972513174844 eV
minimum distance =  2.25097785625812 Angstroms
sigma value = 37


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

Energy: 0.4770767268527679
Energy: 0.4884486950400919
Energy: 0.39785858003866387
Energy: 0.4884486950391225
Energy: 0.44428010784512756
Energy: 0.5599991039463481
Energy: 0.3361247922769409
Energy: 0.5599991039463481
Energy: 0.3802480180958197
Energy: 0.7088118495376818
Energy: 0.6080957719355151
Energy: 0.7088118495367123
Energy: 0.5188470703419433
Energy: 0.46510646053942095
Energy: 0.3524937377337312
Energy: 0.46510646053942095
Energy: 0.3529496481533492
Energy: 0.5220808416036966
Energy: 0.35055031186950314
Energy: 0.5220808416036966
Energy: 0.42958721894922147
Energy: 0.6195570554334237
Energy: 0.4101229870373034
Energy: 0.6195570554334237
Energy: 0.3526817385193397
Energy: 0.7120808719600572
Energy: 0.44378245507093134
Energy: 0.7120808719600572
Energy: 0.33811192123462885
Energy: 0.40072409474274295
Energy: 0.40199157850482486
Energy: 0.40072409474371234
Energy: 0.33748529448604353
Energy: 0.5602880478371413
Energy: 0.3646908949435765
Energy: 0.5602880478381108
Energy: 0.6081945251459075
Energy: 0.6745776825758654
Energy: 0.4101617856581828
Energy: 0.6745776825758654
Energy: 0.36569876459602146
Energy: 0.6882265498717467
Energy: 0.5183116073315929
Energy: 0.6882265498717467
Energy: 0.6414587762535433
Energy: 0.5232608158175316
Energy: 0.35257790334985034
Energy: 0.5232608158194704
Energy: 0.4120771297777673
Energy: 0.6197449725293486
Energy: 0.4289926632321318
Energy: 0.6197449725293486
Energy: 0.451839816892854
Energy: 0.7304489828457801
Energy: 0.33562313956862255
Energy: 0.7304489828457801
Energy: 0.47954731880513657
Energy: 0.5096618999610699
Energy: 0.33718810373061975
Energy: 0.5096618999610699
Energy: 0.4798643557693899
Energy: 0.5611317119721073
Energy: 0.3366896743704994
Energy: 0.5611317119721073
Energy: 0.4121978313653456
Energy: 0.6521836349122007
Energy: 0.3110458701939721
Energy: 0.65218363491317
Energy: 0.41357673842603143
Energy: 0.6906177338201255
Energy: 0.35202091952407205
Energy: 0.6906177338201255
Energy: 0.35204587673843857
Energy: 0.5254057706164377
Energy: 0.4542019592547787
Energy: 0.5254057706164377
Energy: 0.3536129877159071
Energy: 0.6222015747790866
Energy: 0.41285572217530714
Energy: 0.6222015747781172

minimum gb energy = 0.3110458701939721 eV
minimum distance =  2.26768403557187 Angstroms
sigma value = 25


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

Energy: 0.3276231378224207
Energy: 0.4648960992044261
Energy: 0.3116634926151049
Energy: 0.4648960992029121
Energy: 0.5315406328103903
Energy: 0.49170281489780265
Energy: 0.2736409147324785
Energy: 0.49170281489855966
Energy: 0.2717213060061299
Energy: 0.2710541264402854
Energy: 0.5010249937280751
Energy: 0.2710541264402854
Energy: 0.3506572007620838
Energy: 0.4915766042042859
Energy: 0.27374446929754587
Energy: 0.49157660420579985
Energy: 0.27325410107733694
Energy: 0.4924823096302063
Energy: 0.3400100073162942
Energy: 0.4924823096317203
Energy: 0.3401712364465935
Energy: 0.4917654477567191
Energy: 0.2736302878470744
Energy: 0.49176544775747616
Energy: 0.2727251921235486
Energy: 0.3702918592572021
Energy: 0.34905488404243584
Energy: 0.3702918592572021
Energy: 0.3262217774227756
Energy: 0.42621038048493065
Energy: 0.27233104540819353
Energy: 0.42621038048493065
Energy: 0.2737169665748867
Energy: 0.4927468480374056
Energy: 0.5319966961454278
Energy: 0.4927468480381626
Energy: 0.23269555467256833
Energy: 0.4651401866056613
Energy: 0.32822351450752724
Energy: 0.4651401866056613
Energy: 0.27253856162933027
Energy: 0.37029058036427304
Energy: 0.37709321561737363
Energy: 0.37029058036502993
Energy: 0.501610996494258
Energy: 0.5375630176977989
Energy: 0.27242256835887657
Energy: 0.537563017696285
Energy: 0.27392146680188467
Energy: 0.4922012294226015
Energy: 0.35414845532520217
Energy: 0.49220122942335853
Energy: 0.5326776416754494
Energy: 0.5254135397096898
Energy: 0.27361202399758033
Energy: 0.5254135397096898
Energy: 0.27323762579282596
Energy: 0.3709060893478469
Energy: 0.341459206550316
Energy: 0.3709060893486039
Energy: 0.25377865566414404
Energy: 0.5649997472066134
Energy: 0.27197048410863195
Energy: 0.5649997472073703
Energy: 0.27379512925313326
Energy: 0.42634538221106316
Energy: 0.32219091797230204
Energy: 0.4263453822095492
Energy: 0.299088881574634
Energy: 0.4917482847610947
Energy: 0.273829502106243
Energy: 0.49174828476185173
Energy: 0.32964791606543165
Energy: 0.4666754505529087
Energy: 0.2325547306647814
Energy: 0.4666754505521517
Energy: 0.47662311999158347
Energy: 0.5626071100765372
Energy: 0.272169849445777
Energy: 0.5626071100765372
Energy: 0.2738960108923494
Energy: 0.5791370179099232
Energy: 0.42854640713231895
Energy: 0.5791370179099232
Energy: 0.2740336097745492
Energy: 0.49276018941465627
Energy: 0.2739172077764475
Energy: 0.49276018941465627
Energy: 0.27266137200998714
Energy: 0.5249754456036135
Energy: 0.5354950899865508
Energy: 0.5249754456036135
Energy: 0.23383613915977325
Energy: 0.5617383492210513
Energy: 0.27233974697783847
Energy: 0.5617383492202943
Energy: 0.2726077248970959
Energy: 0.5790766056220693
Energy: 0.25601335105683243
Energy: 0.5790766056220693
Energy: 0.23401513764223156
Energy: 0.42643917406711795
Energy: 0.2745404250644389
Energy: 0.42643917406711795

minimum gb energy = 0.2325547306647814 eV
minimum distance =  2.27431220126504 Angstroms
sigma value = 41


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

Energy: 0.3587802171712189
Energy: 0.37570916505467095
Energy: 0.33374076291202104
Energy: 0.3757091650528091
Energy: 0.5085359650503908
Energy: 0.357152397259056
Energy: 0.17592940981315952
Energy: 0.357152397259056
Energy: 0.21148987419094062
Energy: 0.3389085928106658
Energy: 0.25103971645992373
Energy: 0.3389085928106658
Energy: 0.3738903739429188
Energy: 0.3573488011021022
Energy: 0.17590152697397207
Energy: 0.35734880110148165
Energy: 0.17415371661110213
Energy: 0.398522894633799
Energy: 0.2548478855337841
Energy: 0.39852289463504015
Energy: 0.26884874250390367
Energy: 0.35753223074832224
Energy: 0.17573185671219205
Energy: 0.357532230747081
Energy: 0.17550522114440198
Energy: 0.3575702273693201
Energy: 0.2687593967451194
Energy: 0.35757022737056127
Energy: 0.2608981918151415
Energy: 0.2950053078971552
Energy: 0.17474530662676982
Energy: 0.2950053078971552
Energy: 0.17614667694279532
Energy: 0.4130564888177848
Energy: 0.3750951151659431
Energy: 0.4130564888196466
Energy: 0.25125905883247684
Energy: 0.3388476724091793
Energy: 0.21215988782096287
Energy: 0.3388476724091793
Energy: 0.17574833770178921
Energy: 0.3571747121025013
Energy: 0.5087888118079749
Energy: 0.3571747121012601
Energy: 0.14913023953990237
Energy: 0.37596613478568675
Energy: 0.35927702544464896
Energy: 0.37596613478630736
Energy: 0.17596403690218074
Energy: 0.41280628085169657
Energy: 0.5322236700028131
Energy: 0.4128062808504554
Energy: 0.4197422691727623
Energy: 0.5084421693078646
Energy: 0.21213370972836176
Energy: 0.508442169307244
Energy: 0.17576162746766055
Energy: 0.35720333133274385
Energy: 0.37280442086885335
Energy: 0.3572033313352263
Energy: 0.441173751139483
Energy: 0.389172249463772
Energy: 0.17471479868496606
Energy: 0.38917224946253076
Energy: 0.17589217895160267
Energy: 0.41339595361807197
Energy: 0.2694517536701381
Energy: 0.4133959536174514
Energy: 0.26922297051883065
Energy: 0.47072063435940015
Energy: 0.1757174973216449
Energy: 0.47072063436002076
Energy: 0.17570301820765458
Energy: 0.2952885515825639
Energy: 0.26082547083023566
Energy: 0.2952885515819433
Energy: 0.30118804577073216
Energy: 0.41318529595319164
Energy: 0.17547128047495442
Energy: 0.4131852959538122
Energy: 0.2130280927110031
Energy: 0.4485171790210969
Energy: 0.24600487407560162
Energy: 0.4485171790210969
Energy: 0.5070880026528548
Energy: 0.4938515312118977
Energy: 0.17559027463926866
Energy: 0.49385153121251835
Energy: 0.3607304568962015
Energy: 0.3759158718497347
Energy: 0.14793509128601343
Energy: 0.37591587185159653
Energy: 0.47750910206601815
Energy: 0.4359958564300619
Energy: 0.17538349599921635
Energy: 0.43599585643130306
Energy: 0.21300638976357292
Energy: 0.5082661673882725
Energy: 0.33176936206280744
Energy: 0.5082661673895136
Energy: 0.37209338667218916
Energy: 0.49379708995834926
Energy: 0.17580728108248966
Energy: 0.49379708995710797
Energy: 0.1758081394878757
Energy: 0.43328291013987413
Energy: 0.44082970915315495
Energy: 0.4332829101411154
Energy: 0.2911326586806994
Energy: 0.435573664945965
Energy: 0.1753106227451687
Energy: 0.4355736649465856
Energy: 0.17590889213019484
Energy: 0.4708855290535943
Energy: 0.26918774074011104
Energy: 0.4708855290542149
Energy: 0.2613130945486508
Energy: 0.47891155008564623
Energy: 0.17695707001817398
Energy: 0.47891155008564623
Energy: 0.17596704681346426
Energy: 0.41388924891212114
Energy: 0.30143573372276433
Energy: 0.41388924891212114
Energy: 0.14784083377879054
Energy: 0.47127872092486905
Energy: 0.21361371180492444
Energy: 0.4712787209236279

minimum gb energy = 0.14784083377879054 eV
minimum distance =  2.17112591914372 Angstroms
sigma value = 15


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

Energy: 0.27693741431317154
Energy: 0.33006935755647326
Energy: 0.16865647775365455
Energy: 0.330069357554896
Energy: 0.4792733308506091
Energy: 0.2957091125060122
Energy: 0.12184626968771138
Energy: 0.2957091125049607
Energy: 0.15309541267271096
Energy: 0.2637441105589623
Energy: 0.18446237984194924
Energy: 0.26374411055791075
Energy: 0.34172649881566813
Energy: 0.2958227565739432
Energy: 0.12179683200054128
Energy: 0.29582275657236595
Energy: 0.12084229330170673
Energy: 0.37673245999912813
Energy: 0.1866245841939868
Energy: 0.3767324600001797
Energy: 0.2870640734447845
Energy: 0.2961276420275076
Energy: 0.12172894819356934
Energy: 0.2961276420264561
Energy: 0.12155473997253682
Energy: 0.28024072495238267
Energy: 0.1985435188495886
Energy: 0.280240724949754
Energy: 0.19858270664444258
Energy: 0.28019913610063596
Energy: 0.12153737846827553
Energy: 0.280199136098533
Energy: 0.12206745523282204
Energy: 0.34606953664942547
Energy: 0.30511002579988716
Energy: 0.3460695366499512
Energy: 0.19189941343542688
Energy: 0.32519073804929344
Energy: 0.12106132856982453
Energy: 0.325190738048242
Energy: 0.12166061549483842
Energy: 0.2959763143707632
Energy: 0.3436138221511973
Energy: 0.2959763143707632
Energy: 0.18410003385264234
Energy: 0.2636801297873083
Energy: 0.15324415902688876
Energy: 0.26368012978835975
Energy: 0.12233531773611149
Energy: 0.3446669759004437
Energy: 0.4795597633858621
Energy: 0.3446669758993922
Energy: 0.07527724626410799
Energy: 0.330319314703317
Energy: 0.2773413857501026
Energy: 0.33031931470384274
Energy: 0.12189368878873359
Energy: 0.29588759840041623
Energy: 0.4795005860186895
Energy: 0.2958875984019934
Energy: 0.345895468600121
Energy: 0.26380846197843355
Energy: 0.153380083829243
Energy: 0.2638084619800108
Energy: 0.12222759768229687
Energy: 0.3471426933191904
Energy: 0.34129456707462286
Energy: 0.34714269331813885
Energy: 0.3618628613914918
Energy: 0.37716017739535546
Energy: 0.12096046440034766
Energy: 0.37716017739535546
Energy: 0.12192198644869198
Energy: 0.29612304026270775
Energy: 0.28625246835245965
Energy: 0.2961230402658621
Energy: 0.19651785620074727
Energy: 0.2742012419354
Energy: 0.12170889450819505
Energy: 0.2742012419343486
Energy: 0.12216901448791276
Energy: 0.3280913277594176
Energy: 0.1985701488799426
Energy: 0.32809132775416017
Energy: 0.22249922871825312
Energy: 0.34498018607501674
Energy: 0.12249552917432295
Energy: 0.34498018607186226
Energy: 0.12174617782469664
Energy: 0.32489130354725426
Energy: 0.1911818091817788
Energy: 0.32489130354725426
Energy: 0.3453336446087822
Energy: 0.2962771697289933
Energy: 0.12155671425046297
Energy: 0.29627716973057056
Energy: 0.15430921057394695
Energy: 0.3568346299202889
Energy: 0.1789545071317984
Energy: 0.35683462992134046
Energy: 0.4457784592816185
Energy: 0.3478017602338384
Energy: 0.12261945334818204
Energy: 0.3478017602338384
Energy: 0.27841105675689753
Energy: 0.33010392964581653
Energy: 0.07609314219800943
Energy: 0.3301039296473937
Energy: 0.47990377682408614
Energy: 0.29574697030345487
Energy: 0.12153236787165858
Energy: 0.2957469703029291
Energy: 0.15421391692443107
Energy: 0.40744985350987795
Energy: 0.25140712208329735
Energy: 0.40744985350935214
Energy: 0.31055615541243414
Energy: 0.34474831378780163
Energy: 0.12255712707219614
Energy: 0.34474831378832743
Energy: 0.12167307040843786
Energy: 0.37699860761957754
Energy: 0.29619104359400095
Energy: 0.3769986076190518
Energy: 0.285317994481904
Energy: 0.2961624646823916
Energy: 0.12153669912160041
Energy: 0.29616246468607177
Energy: 0.12218388157817692
Energy: 0.3902614554039049
Energy: 0.19749344390192725
Energy: 0.3902614554023277
Energy: 0.21456262614522792
Energy: 0.328382836749041
Energy: 0.12267748532431011
Energy: 0.32838283674851526
Energy: 0.09489123148937179
Energy: 0.3586404204230001
Energy: 0.22138443784329742
Energy: 0.35864042042142286
Energy: 0.1923980217216802
Energy: 0.33298723402548913
Energy: 0.12230617213854225
Energy: 0.3329872340228604
Energy: 0.12110101541783738
Energy: 0.3873554657771992
Energy: 0.34481401602979167
Energy: 0.38735546577457053

minimum gb energy = 0.07527724626410799 eV
minimum distance =  2.24031162046234 Angstroms
sigma value = 85


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

Energy: 0.37590950430283304
Energy: 0.4171255468149429
Energy: 0.25376796445846295
Energy: 0.4171255468149429
Energy: 0.5972418210137025
Energy: 0.39037947477395857
Energy: 0.20343987129412583
Energy: 0.3903794747753265
Energy: 0.3392569257495913
Energy: 0.36146465980282405
Energy: 0.2696003230920428
Energy: 0.361464659802368
Energy: 0.4863480628570472
Energy: 0.3903865303295502
Energy: 0.203354242896963
Energy: 0.39038653032863824
Energy: 0.2374537475904105
Energy: 0.3275051332758822
Energy: 0.2738836931986332
Energy: 0.3275051332754262
Energy: 0.40908682573193983
Energy: 0.39048680292015026
Energy: 0.2033827754637266
Energy: 0.39048680292060617
Energy: 0.20253430489036855
Energy: 0.3811824117518299
Energy: 0.28130517965439333
Energy: 0.38118241175046186
Energy: 0.36314777475885945
Energy: 0.3903626298661666
Energy: 0.20328711894558757
Energy: 0.3903626298652547
Energy: 0.20306346898309816
Energy: 0.3440841886923525
Energy: 0.3629881847937007
Energy: 0.3440841886900726
Energy: 0.28122802435061756
Energy: 0.38119642525800146
Energy: 0.20280434736090838
Energy: 0.38119642525708947
Energy: 0.203526828706362
Energy: 0.3904230055085453
Energy: 0.409281296636868
Energy: 0.39042300550763337
Energy: 0.2737870308335625
Energy: 0.4148133141915747
Energy: 0.23760171840904995
Energy: 0.4148133141911187
Energy: 0.2034947430467308
Energy: 0.3441461515782581
Energy: 0.48619736319876355
Energy: 0.3441461515778021
Energy: 0.26927891590303754
Energy: 0.36159604961064135
Energy: 0.33953242923341775
Energy: 0.36159604961064135
Energy: 0.20339500200926675
Energy: 0.3905645375645638
Energy: 0.5973261296617366
Energy: 0.3905645375659316
Energy: 0.152517701423778
Energy: 0.41718751776440327
Energy: 0.37616038043756245
Energy: 0.41718751776485924
Energy: 0.2035146408155033
Energy: 0.3442839377293052
Energy: 0.5973453463405495
Energy: 0.3442839377283933
Energy: 0.2698026897323487
Energy: 0.3615838346107844
Energy: 0.33959053202098965
Energy: 0.36158383461032845
Energy: 0.20336012927525446
Energy: 0.3904475432227516
Energy: 0.48605846613843956
Energy: 0.3904475432241195
Energy: 0.43880982643578853
Energy: 0.45547772167931666
Energy: 0.23771638014726845
Energy: 0.45547772167931666
Energy: 0.20347012753228194
Energy: 0.3442478979824729
Energy: 0.41018130295298355
Energy: 0.344247897982017
Energy: 0.28118442156996587
Energy: 0.36552015926907166
Energy: 0.20279983021382256
Energy: 0.3655201592686157
Energy: 0.20378797818231334
Energy: 0.3904425453764541
Energy: 0.36342442068698205
Energy: 0.3904425453769101
Energy: 0.30610402393630226
Energy: 0.4374846635914469
Energy: 0.2032925386397134
Energy: 0.4374846635905349
Energy: 0.2034084876203342
Energy: 0.30038955256040345
Energy: 0.2841656633555516
Energy: 0.3003895525622273
Energy: 0.409061328054953
Energy: 0.3905283748840206
Energy: 0.20246945000718256
Energy: 0.3905283748840206
Energy: 0.23820460389178272
Energy: 0.41487110325923665
Energy: 0.2760882169620777
Energy: 0.41487110325969256
Energy: 0.43654372713485995
Energy: 0.4373693890884184
Energy: 0.20349950537122122
Energy: 0.4373693890879624
Energy: 0.34048130022885725
Energy: 0.3618188146431249
Energy: 0.2695899792233865
Energy: 0.3618188146431249
Energy: 0.5979035552388541
Energy: 0.39056567907999384
Energy: 0.2033825635756289
Energy: 0.3905656790827297
Energy: 0.37706744917731544
Energy: 0.41740356663134814
Energy: 0.15263977922817246
Energy: 0.4174035666304362
Energy: 0.5733831886131426
Energy: 0.4373724585569006
Energy: 0.20348915866537404
Energy: 0.4373724585573566
Energy: 0.3404898249072237
Energy: 0.36182553281541713
Energy: 0.3238663904879751
Energy: 0.36182553281587315
Energy: 0.48630538056819267
Energy: 0.3906385347595141
Energy: 0.2035762635160289
Energy: 0.3906385347599701
Energy: 0.2384128295415995
Energy: 0.45565838383148244
Energy: 0.3644156866186974
Energy: 0.45565838383102636
Energy: 0.3885193497315875
Energy: 0.43743431926003695
Energy: 0.2035355784866381
Energy: 0.43743431925912496
Energy: 0.20350363027029122
Energy: 0.36560199893350337
Energy: 0.28093792165191445
Energy: 0.36560199893395934
Energy: 0.3631410202941561
Energy: 0.39064800943970424
Energy: 0.2037049683401686
Energy: 0.39064800944107214
Energy: 0.20373753412564138
Energy: 0.44158230922004926
Energy: 0.3059318628634064
Energy: 0.44158230921913727
Energy: 0.2987235266061638
Energy: 0.43133171668412135
Energy: 0.2038800538978995
Energy: 0.43133171668457737
Energy: 0.20255893594077376
Energy: 0.39071980423165226
Energy: 0.4093625166018713
Energy: 0.39071980423165226
Energy: 0.27629719608063696
Energy: 0.4149246677267125
Energy: 0.23889540664693742
Energy: 0.4149246677267125
Energy: 0.2026826322744402
Energy: 0.4420924293660359
Energy: 0.4367636312037566
Energy: 0.4420924293664918

minimum gb energy = 0.152517701423778 eV
minimum distance =  2.25030225028178 Angstroms
sigma value = 113


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

Energy: -0.15595189597101142
Energy: -0.15480853241887216
Energy: 0.1191325915033054
Energy: -0.1548085324199043
Energy: 0.11885050091726365
Energy: 1.0444559819769592
Energy: 1.9540018926429643
Energy: 1.0444559819762775
Energy: -0.1559518959706609
Energy: -0.1548085324199043
Energy: 0.7812489381369221
Energy: -0.1548085324181906
Energy: 0.11885050091623153
Energy: 1.0444559819762775
Energy: 1.9540018926433147
Energy: 1.0444559819766281
Energy: -0.15595189597101142
Energy: -0.15480853241920323
Energy: 0.781248938137253
Energy: -0.15480853241955378
Energy: 0.11885050091418677
Energy: 1.0444559819776411
Energy: 1.9540018926429643
Energy: 1.0444559819769592

minimum gb energy = -0.15595189597101142 eV
minimum distance =  2.73703738101569 Angstroms
sigma value = 1