Model name: model_name=MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_001
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=4.044650822877884
cohesive_energy=3.3602642806077516
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: 0.010384127763917369
Energy: 0.010869251860544714
Energy: 0.38299312730911855
Energy: 0.010869251860544714
Energy: 0.010869251860544714
Energy: 0.5098373812160824
Energy: 0.010869251860544714
Energy: 0.5098373812160824
Energy: 0.38299312730911855
Energy: 0.010869251860544714
Energy: 0.010384127763917369
Energy: 0.010869251860544714
Energy: 0.010869251860544714
Energy: 0.5098373812160824
Energy: 0.010869251860544714
Energy: 0.5098373812156091

minimum gb energy = 0.010384127763917369 eV
minimum distance =  2.70790589648165 Angstroms
sigma value = 1


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

Energy: 0.570471728408198
Energy: 0.5618985802993735
Energy: 0.6278163452855806
Energy: 0.5618985802993735
Energy: 0.5593956286977398
Energy: 0.5699742893536669
Energy: 0.5406669371404645
Energy: 0.5699742893536669
Energy: 0.5398814270424455
Energy: 0.5539277503319721
Energy: 0.5535996765410184
Energy: 0.5539277503313644
Energy: 0.543147326842143
Energy: 0.5729830805360047
Energy: 0.5444404722426306
Energy: 0.5729830805360047
Energy: 0.5448639120145803
Energy: 0.5683436781940192
Energy: 0.5567079988649037
Energy: 0.5683436781940192
Energy: 0.5390242004560984
Energy: 0.6249791722555299
Energy: 0.5355967795863088
Energy: 0.6249791722555299
Energy: 0.5609354123923695
Energy: 0.5521742170232032
Energy: 0.5395025511051157
Energy: 0.5521742170225955
Energy: 0.5241953500652766
Energy: 0.5659026429564795
Energy: 0.5367759428517402
Energy: 0.5659026429564795
Energy: 0.544220245830043
Energy: 0.5505718849527658
Energy: 0.5627698034833182
Energy: 0.5505718849527658
Energy: 0.5396623947845233
Energy: 0.5532119675807998
Energy: 0.5248025271722438
Energy: 0.5532119675807998
Energy: 0.5360392151924156
Energy: 0.5680665000489051
Energy: 0.5441865639960984
Energy: 0.5680665000482975
Energy: 0.5735415234641088
Energy: 0.565842223853187
Energy: 0.5445118395770124
Energy: 0.5658422238537947
Energy: 0.5395171382649736
Energy: 0.5541782776429355
Energy: 0.5611759256738912
Energy: 0.5541782776423277
Energy: 0.552132007979046
Energy: 0.5620080338061484
Energy: 0.5431353800367796
Energy: 0.5620080338061484
Energy: 0.5521641091057318
Energy: 0.561927323622005
Energy: 0.5484628033642386
Energy: 0.5619273236226127
Energy: 0.5559558836935813
Energy: 0.5619146978958808
Energy: 0.552174615759095
Energy: 0.5619146978958808
Energy: 0.5538566323221549
Energy: 0.5538434163511033
Energy: 0.5342233132450954
Energy: 0.5538434163511033
Energy: 0.5406113873445227
Energy: 0.562409867077727
Energy: 0.5729262790117418
Energy: 0.5624098670783346
Energy: 0.5351599746905091
Energy: 0.564177386344758
Energy: 0.5457589472619023
Energy: 0.564177386344758
Energy: 0.5516111833193879
Energy: 0.6253896253248635
Energy: 0.5451488376999993
Energy: 0.6253896253248635
Energy: 0.540087912920509
Energy: 0.5538177035557612
Energy: 0.5240531127022879
Energy: 0.5538177035557612
Energy: 0.5443542206027201
Energy: 0.6364206891404101
Energy: 0.5519791666902601
Energy: 0.6364206891398024
Energy: 0.5523283111340298
Energy: 0.5683388576066863
Energy: 0.5340310836779284
Energy: 0.568338857607294
Energy: 0.5481697195868166
Energy: 0.5535447635350673
Energy: 0.5390410440440495
Energy: 0.5535447635344597
Energy: 0.5394616004156494
Energy: 0.6279482316645271
Energy: 0.5616956985698892
Energy: 0.6279482316657423
Energy: 0.54679672680688
Energy: 0.5657791365508481
Energy: 0.5451950892837104
Energy: 0.5657791365508481
Energy: 0.5543656952615746
Energy: 0.6220794348092706
Energy: 0.5442842885007823
Energy: 0.6220794348092706
Energy: 0.5361018933032868
Energy: 0.5521737134511481
Energy: 0.5596854783799139
Energy: 0.5521737134511481
Energy: 0.5588436771493732
Energy: 0.5677861040763171
Energy: 0.5380402139331286
Energy: 0.5677861040769249
Energy: 0.5708040368666355
Energy: 0.5624317865730636
Energy: 0.5762446435914886
Energy: 0.5624317865736711
Energy: 0.5611094303891967
Energy: 0.5591480982817605
Energy: 0.5394516998107132
Energy: 0.5591480982811529
Energy: 0.5460843869176314
Energy: 0.5563142791668974
Energy: 0.5521218500223427
Energy: 0.5563142791668974
Energy: 0.5447139049310524
Energy: 0.5731616576722106
Energy: 0.5460565161800575
Energy: 0.5731616576722106

minimum gb energy = 0.5240531127022879 eV
minimum distance =  2.5691591161556 Angstroms
sigma value = 1


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

Energy: 0.5947506130946876
Energy: 0.6040401267883603
Energy: 0.6122281507071279
Energy: 0.6040401267869746
Energy: 0.5747350919396553
Energy: 0.5948676745807999
Energy: 0.5582470297456099
Energy: 0.5948676745807999
Energy: 0.569544316415839
Energy: 0.606921697970525
Energy: 0.5691766247641575
Energy: 0.606921697970525
Energy: 0.5599654991849227
Energy: 0.603657586151163
Energy: 0.5610080005571976
Energy: 0.6036575861518559
Energy: 0.5602553821935419
Energy: 0.5898777631934388
Energy: 0.5955875928547885
Energy: 0.5898777631941314
Energy: 0.6034829693963376
Energy: 0.5900938799781394
Energy: 0.5717820726903801
Energy: 0.5900938799781394
Energy: 0.5747503977041098
Energy: 0.6365556703248186
Energy: 0.56482432037046
Energy: 0.6365556703248186
Energy: 0.5457459305591843
Energy: 0.6049094343061138
Energy: 0.5626966498842522
Energy: 0.6049094343061138
Energy: 0.5598101114848018
Energy: 0.671143137745927
Energy: 0.5475160199851693
Energy: 0.6711431377452342
Energy: 0.5652626482327426
Energy: 0.6050555279236434
Energy: 0.5789157327953802
Energy: 0.6050555279243363
Energy: 0.5748832812884569
Energy: 0.58561116353862
Energy: 0.5604897981509086
Energy: 0.58561116353862
Energy: 0.5524847245921799
Energy: 0.5963028964911555
Energy: 0.5899034356680928
Energy: 0.5963028964904628
Energy: 0.580458048717096
Energy: 0.5875477235974053
Energy: 0.5669921817703854
Energy: 0.5875477235974053
Energy: 0.5798378522036609
Energy: 0.5875410553115498
Energy: 0.5769747269430647
Energy: 0.5875410553094713
Energy: 0.5525193425505142
Energy: 0.596306100557804
Energy: 0.571285146836835
Energy: 0.5963061005571112
Energy: 0.5748338836982788
Energy: 0.5858850123343632
Energy: 0.5582146570183661
Energy: 0.5858850123343632
Energy: 0.5651302336748798
Energy: 0.605052409447279
Energy: 0.5597035989357919
Energy: 0.6050524094458933
Energy: 0.5598193669177088
Energy: 0.6711760477277289
Energy: 0.5475352672993316
Energy: 0.6711760477270361
Energy: 0.545732182004855
Energy: 0.6065131506017665
Energy: 0.5609857708808121
Energy: 0.6065131506031521
Energy: 0.574721260237522
Energy: 0.6364175546290202
Energy: 0.5609195861569198
Energy: 0.6364175546283273
Energy: 0.6035315201942724
Energy: 0.5898318049276132
Energy: 0.5621187480371161
Energy: 0.5898318049276132
Energy: 0.5600233747802063
Energy: 0.5898674994407406
Energy: 0.5550986957983539
Energy: 0.5898674994414336
Energy: 0.5601306594581227
Energy: 0.6035878501594025
Energy: 0.5583065637196631
Energy: 0.6035878501614811
Energy: 0.5696453701521201
Energy: 0.6068766981524614
Energy: 0.5691142338797361
Energy: 0.6068766981510757
Energy: 0.5748016639632236
Energy: 0.5950199875311777
Energy: 0.5581136702282646
Energy: 0.5950199875290992
Energy: 0.5947506130946876
Energy: 0.6040401267883603
Energy: 0.6237064318237282
Energy: 0.6040401267869746
Energy: 0.5747350919403482
Energy: 0.5948676745814927
Energy: 0.5582470297456099
Energy: 0.5948676745807999
Energy: 0.569544316415839
Energy: 0.606921697970525
Energy: 0.5783597333025166
Energy: 0.606921697970525
Energy: 0.5599654991856153
Energy: 0.603657586151163
Energy: 0.5583900578207696
Energy: 0.6036575861518559

minimum gb energy = 0.545732182004855 eV
minimum distance =  2.52355323258988 Angstroms
sigma value = 25


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

Energy: 0.6085130426074752
Energy: 0.6264351660205166
Energy: 0.6887827065233957
Energy: 0.6264351660205166
Energy: 0.5801366444366832
Energy: 0.6274958817718768
Energy: 0.5877300468492653
Energy: 0.6274958817718768
Energy: 0.5785659825413284
Energy: 0.6524433348032153
Energy: 0.588319538598608
Energy: 0.6524433348032153
Energy: 0.5878674921556689
Energy: 0.644082352879019
Energy: 0.5789766282985537
Energy: 0.6440823528798244
Energy: 0.5809792249957811
Energy: 0.6284431352907394
Energy: 0.5818340249724291
Energy: 0.6284431352907394
Energy: 0.6345697678703985
Energy: 0.6534179238420286
Energy: 0.593046380000442
Energy: 0.6534179238420286
Energy: 0.5787101971341482
Energy: 0.6764427079542278
Energy: 0.5936734892151684
Energy: 0.6764427079542278
Energy: 0.6816101097321836
Energy: 0.628145033941063
Energy: 0.5710020772270444
Energy: 0.628145033941063
Energy: 0.593607482474848
Energy: 0.609349132627036
Energy: 0.5787145937397983
Energy: 0.609349132627036
Energy: 0.5980218820261628
Energy: 0.6533704318541531
Energy: 0.5761460853153693
Energy: 0.6533704318541531
Energy: 0.5791695828188204
Energy: 0.6256949454200647
Energy: 0.5856489843439687
Energy: 0.6256949454200647
Energy: 0.5709956783361431
Energy: 0.6265298303037492
Energy: 0.5856362079972272
Energy: 0.6265298303029437
Energy: 0.5883485093309334
Energy: 0.6452448826431365
Energy: 0.5758478594080215
Energy: 0.6452448826431365
Energy: 0.5938271451013007
Energy: 0.6405348684360026
Energy: 0.5803436403662896
Energy: 0.6405348684360026
Energy: 0.5844488400565178
Energy: 0.6287150145732746
Energy: 0.5699522704851375
Energy: 0.6287150145732746
Energy: 0.5785256248273292
Energy: 0.5893021380197666
Energy: 0.580869041552489
Energy: 0.589302138020572
Energy: 0.5696326452426617
Energy: 0.6524910573155848
Energy: 0.5670968870993475
Energy: 0.6524910573155848
Energy: 0.5789414584979636
Energy: 0.6152810111586341
Energy: 0.5805570904626316
Energy: 0.6152810111594396
Energy: 0.5775678776880494
Energy: 0.6450963011522219
Energy: 0.5811406042314319
Energy: 0.6450963011514165
Energy: 0.5929163592853977
Energy: 0.6537520644526322
Energy: 0.5862945507242129
Energy: 0.6537520644526322
Energy: 0.5912073511706846
Energy: 0.6272817854646113
Energy: 0.5857204442186471
Energy: 0.6272817854646113
Energy: 0.6093885675613984
Energy: 0.6276197771173584
Energy: 0.6365036661817178
Energy: 0.6276197771173584
Energy: 0.5787694968723794
Energy: 0.6151158032114504
Energy: 0.5862734530928636
Energy: 0.6151158032106449
Energy: 0.5818087459873019
Energy: 0.6518579984674053
Energy: 0.5973629357248101
Energy: 0.6518579984674053
Energy: 0.5859099936772871
Energy: 0.6246056563604897
Energy: 0.5788390231423399
Energy: 0.6246056563604897

minimum gb energy = 0.5670968870993475 eV
minimum distance =  2.52540751073823 Angstroms
sigma value = 9


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

Energy: 0.6160792620939696
Energy: 0.6828275266431095
Energy: 0.7739794000376974
Energy: 0.6828275266440704
Energy: 0.607280726004489
Energy: 0.6472273789816373
Energy: 0.597154917540407
Energy: 0.6472273789806765
Energy: 0.5906989055010907
Energy: 0.6856677520442496
Energy: 0.5971956986638409
Energy: 0.6856677520432888
Energy: 0.596859476818647
Energy: 0.7000583828943776
Energy: 0.5961523297078708
Energy: 0.700058382893417
Energy: 0.6637208553750866
Energy: 0.6444908496050269
Energy: 0.5975249396684403
Energy: 0.6444908496059877
Energy: 0.5843942164182508
Energy: 0.6861625143105078
Energy: 0.5979089313397523
Energy: 0.6861625143105078
Energy: 0.5964798466138631
Energy: 0.5949975682013598
Energy: 0.5955630338960541
Energy: 0.5949975682013598
Energy: 0.6590734593791151
Energy: 0.6858635426261921
Energy: 0.5935612498115096
Energy: 0.6858635426261921
Energy: 0.5963860883123913
Energy: 0.647033609622096
Energy: 0.5974235948833068
Energy: 0.647033609622096
Energy: 0.5965203531693964
Energy: 0.6819622133640791
Energy: 0.5981255003680983
Energy: 0.6819622133640791
Energy: 0.5891011906290324
Energy: 0.6722617093415155
Energy: 0.5940799552563044
Energy: 0.6722617093424762
Energy: 0.5968211717694395
Energy: 0.6551931452801579
Energy: 0.5961238305487203
Energy: 0.6551931452791971
Energy: 0.5843734264312246
Energy: 0.685914259499104
Energy: 0.5990919039038113
Energy: 0.685914259499104
Energy: 0.6237358180597433
Energy: 0.6010210221673911
Energy: 0.5971784042301621
Energy: 0.6010210221673911
Energy: 0.5843817157192783
Energy: 0.6857425142675296
Energy: 0.6579359968852668
Energy: 0.6857425142684905
Energy: 0.5968038106024852
Energy: 0.6551514611698217
Energy: 0.5961308249052644
Energy: 0.6551514611688608
Energy: 0.5891054974917151
Energy: 0.6722245508064529
Energy: 0.5972988645387823
Energy: 0.6722245508064529
Energy: 0.5965284737294989
Energy: 0.6819301053189422
Energy: 0.5981404764930525
Energy: 0.6819301053189422
Energy: 0.5962923242161519
Energy: 0.6470634454460146
Energy: 0.5974920192671728
Energy: 0.6470634454469755
Energy: 0.659056219503295
Energy: 0.6860226349883697
Energy: 0.5936398899032505
Energy: 0.6860226349893302
Energy: 0.5964373741016007
Energy: 0.5949753501917864
Energy: 0.5955632555713296
Energy: 0.5949753501917864

minimum gb energy = 0.5843734264312246 eV
minimum distance =  2.65181185486909 Angstroms
sigma value = 25


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

Energy: 0.6039466027910116
Energy: 0.7081764890258578
Energy: 0.7956158087493099
Energy: 0.7081764890258578
Energy: 0.5929893631536063
Energy: 0.6015436332833639
Energy: 0.5880382868055665
Energy: 0.6015436332893047
Energy: 0.5881045940875319
Energy: 0.6577653353367912
Energy: 0.5951311102358192
Energy: 0.6577653353391676
Energy: 0.6034006878512491
Energy: 0.658550732126595
Energy: 0.6778133427125799
Energy: 0.658550732126595
Energy: 0.6769682395886009
Energy: 0.5928474236345259
Energy: 0.6126843472886782
Energy: 0.5928474236345259
Energy: 0.5903665610856095
Energy: 0.7330827862854928
Energy: 0.5889939127021
Energy: 0.7330827862854928
Energy: 0.612900779010223
Energy: 0.6571323214192187
Energy: 0.5877040076254615
Energy: 0.6571323214192187
Energy: 0.6704278761078242
Energy: 0.708753161942801
Energy: 0.6031811259768738
Energy: 0.708753161942801
Energy: 0.5952076181198263
Energy: 0.6597815478613941
Energy: 0.5931456785866116
Energy: 0.6597815478613941
Energy: 0.6880808166322074
Energy: 0.673385318510618
Energy: 0.590260468145603
Energy: 0.673385318510618
Energy: 0.6251329985529667
Energy: 0.7081474219530828
Energy: 0.75846809659518
Energy: 0.7081474219530828
Energy: 0.5882662154002368
Energy: 0.6073918509386771
Energy: 0.6900290227606073
Energy: 0.6073918509386771
Energy: 0.6799312008170401
Energy: 0.6729749634521993
Energy: 0.5876398508347827
Energy: 0.6729749634521993
Energy: 0.5878608909487074
Energy: 0.6630644624957265
Energy: 0.603405973716375
Energy: 0.6630644624969148
Energy: 0.6018523711008837
Energy: 0.7077624842932931
Energy: 0.6707163213500779
Energy: 0.7077624842932931
Energy: 0.5952673676548461
Energy: 0.6730547330089396
Energy: 0.5903770522076471
Energy: 0.6730547330089396
Energy: 0.5951133208890356
Energy: 0.6258530820599175
Energy: 0.6882543511061019
Energy: 0.6258530820599175

minimum gb energy = 0.5876398508347827 eV
minimum distance =  2.61398468919601 Angstroms
sigma value = 17


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

Energy: 0.6592508510284353
Energy: 0.6600388213021415
Energy: 0.8239284228187944
Energy: 0.6600388213021415
Energy: 0.6848583019942955
Energy: 0.6292091984301942
Energy: 0.6007664159843854
Energy: 0.6292091984295213
Energy: 0.6906571797572181
Energy: 0.6579478015551412
Energy: 0.6043894796323853
Energy: 0.6579478015558141
Energy: 0.5999587350107318
Energy: 0.6043865456195902
Energy: 0.649975014190228
Energy: 0.6043865456209361
Energy: 0.7023281783197148
Energy: 0.6746725684193269
Energy: 0.6078531791685329
Energy: 0.6746725684193269
Energy: 0.6045289442586195
Energy: 0.6132539389235402
Energy: 0.6856825847792136
Energy: 0.6132539389228672
Energy: 0.6014510249562233
Energy: 0.6545559262018703
Energy: 0.6046190869661795
Energy: 0.6545559262018703
Energy: 0.684411214169804
Energy: 0.6046927732742912
Energy: 0.6056862027381218
Energy: 0.6046927732749642
Energy: 0.604645195108547
Energy: 0.6765690359630091
Energy: 0.6945220118259573
Energy: 0.6765690359630091
Energy: 0.7465749907533415
Energy: 0.6346697307674016
Energy: 0.602581000518468
Energy: 0.6346697307687474
Energy: 0.6006223424387674
Energy: 0.6055793402041686
Energy: 0.6921206059802102
Energy: 0.6055793402048415
Energy: 0.6052356745259057
Energy: 0.6523352604900586
Energy: 0.6062481244858727
Energy: 0.6523352604893857
Energy: 0.6856774601551234
Energy: 0.6058520744607763
Energy: 0.60471393760651
Energy: 0.6058520744607763
Energy: 0.6024363346418903
Energy: 0.6099554872727145
Energy: 0.6848572572424154
Energy: 0.6099554873204623
Energy: 0.652378143982178
Energy: 0.6545844363509264
Energy: 0.6048360811084802
Energy: 0.6545844363509264
Energy: 0.6849655211269092
Energy: 0.6047977136594483
Energy: 0.6998058706973216
Energy: 0.6047977136594483
Energy: 0.6044311121368503
Energy: 0.6426973968087958
Energy: 0.6977226089210501
Energy: 0.6426973968087958
Energy: 0.6837957384221115
Energy: 0.6578397503705284
Energy: 0.6043412204543802
Energy: 0.6578397503712013
Energy: 0.6009856640561786
Energy: 0.6584223246178387
Energy: 0.6455478372172101
Energy: 0.6584223246178387
Energy: 0.6005841441030221
Energy: 0.6055199111259856
Energy: 0.6001205688062643
Energy: 0.6055199111253127
Energy: 0.6492239983097697
Energy: 0.6583344679088107
Energy: 0.6908190520902098
Energy: 0.6583344679088107
Energy: 0.6017317284815306
Energy: 0.6885651671528547
Energy: 0.74602493402324
Energy: 0.6885651671521816
Energy: 0.6990877971984208
Energy: 0.6598499889046165
Energy: 0.5988635903008098
Energy: 0.6598499889039436
Energy: 0.6038096248298866
Energy: 0.6562474000957683
Energy: 0.6834696204425702
Energy: 0.6562474000957683
Energy: 0.6039736809146552
Energy: 0.6580575107429394
Energy: 0.6844484188094931
Energy: 0.6580575107429394
Energy: 0.6964211034768585
Energy: 0.6047943463697705
Energy: 0.599505390019172
Energy: 0.6047943463697705
Energy: 0.6072917277345365
Energy: 0.6891410983712059
Energy: 0.7588698629101498
Energy: 0.6891410983712059
Energy: 0.6862673224279934
Energy: 0.6130844278305424
Energy: 0.6914408099663311
Energy: 0.6130844278311848
Energy: 0.7266753422554285
Energy: 0.6062267352652695
Energy: 0.6013446808558568
Energy: 0.6062267352659425
Energy: 0.6046503812560823
Energy: 0.6776497505837226
Energy: 0.6854078152061496
Energy: 0.6776497505837226

minimum gb energy = 0.5988635903008098 eV
minimum distance =  2.49535161142143 Angstroms
sigma value = 53


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

Energy: 0.5521537175785906
Energy: 0.552334877167325
Energy: 0.8565292229206064
Energy: 0.552334877167325
Energy: 0.6732069381863418
Energy: 0.6008000272771354
Energy: 0.6464838782202
Energy: 0.6008000272771354
Energy: 0.552782032255361
Energy: 0.5526713004118396
Energy: 0.573902265718033
Energy: 0.5526713004133887
Energy: 0.552815071934927
Energy: 0.5526958544099487
Energy: 0.5739383984054243
Energy: 0.5526958544083994
Energy: 0.6732708927364889
Energy: 0.6007929411512352
Energy: 0.6579048117043742
Energy: 0.6007929411512352
Energy: 0.5521537175801398
Energy: 0.552334877167325
Energy: 0.8094845927301526
Energy: 0.552334877167325
Energy: 0.6732069381863418
Energy: 0.6008000272771354
Energy: 0.6669509722371033
Energy: 0.6008000272771354
Energy: 0.552782032255361
Energy: 0.5526713004118396
Energy: 0.6403576926131179
Energy: 0.5526713004118396
Energy: 0.552815071934927
Energy: 0.5526958544083994
Energy: 0.647717952133053
Energy: 0.5526958544083994
Energy: 0.6732708927364889
Energy: 0.6007929411512352
Energy: 0.647084546034198
Energy: 0.6007929411512352
Energy: 0.5521537175785906
Energy: 0.552334877167325
Energy: 0.7696263429761775
Energy: 0.552334877167325
Energy: 0.6732069381847926
Energy: 0.6008000272771354
Energy: 0.6669509722371033
Energy: 0.6008000272786846
Energy: 0.552782032255361
Energy: 0.5526713004133887
Energy: 0.6672154252857706
Energy: 0.5526713004118396

minimum gb energy = 0.5521537175785906 eV
minimum distance =  2.60635031034417 Angstroms
sigma value = 9


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

Energy: 0.6202807469465708
Energy: 0.6288604994863826
Energy: 0.8345798168297367
Energy: 0.6288604994863826
Energy: 0.7517860845302318
Energy: 0.650277512887061
Energy: 0.6340707178868248
Energy: 0.6502775128876344
Energy: 0.627828135376078
Energy: 0.6146018813262321
Energy: 0.6377798252722527
Energy: 0.6146018813256587
Energy: 0.7029386563653907
Energy: 0.7303653861136742
Energy: 0.6352815483402583
Energy: 0.7303653861136742
Energy: 0.6925572285857756
Energy: 0.641492048393413
Energy: 0.637595826882516
Energy: 0.6414920483939863
Energy: 0.6142909940445451
Energy: 0.6140727621412987
Energy: 0.7257609097170867
Energy: 0.6140727621412987
Energy: 0.8228112581375177
Energy: 0.6383955045265293
Energy: 0.6347571674536486
Energy: 0.638395504525956
Energy: 0.6294917334500768
Energy: 0.6832182238143635
Energy: 0.6881108615736297
Energy: 0.6832182238143635
Energy: 0.6295442220662264
Energy: 0.7322132247789845
Energy: 0.621804456858934
Energy: 0.7322132247789845
Energy: 0.627533852798691
Energy: 0.6428089501138244
Energy: 0.6285124269402251
Energy: 0.6428089501138244
Energy: 0.6334167953979554
Energy: 0.7234899669424413
Energy: 0.7905766771350523
Energy: 0.7234899669424413
Energy: 0.6929955697890924
Energy: 0.7598550793132617
Energy: 0.6351106430421519
Energy: 0.7598550793132617
Energy: 0.6306449287677011
Energy: 0.6794627256577037
Energy: 0.7296444308125716
Energy: 0.6794627256582771
Energy: 0.7246490990864402
Energy: 0.723875536895647
Energy: 0.6247026235845955
Energy: 0.723875536895647
Energy: 0.635090267485849
Energy: 0.6885648175959832
Energy: 0.6522095464570844
Energy: 0.6885648175971301
Energy: 0.6355676354626121
Energy: 0.7322234497046455
Energy: 0.7134905182412936
Energy: 0.7322234497046455
Energy: 0.6505864738117052
Energy: 0.6885411472197915
Energy: 0.6314651272496434
Energy: 0.6885411472203649
Energy: 0.6344513115411573
Energy: 0.6385635423167105
Energy: 0.7196705900204607
Energy: 0.6385635423172838
Energy: 0.6995867115430742
Energy: 0.6797328375328449
Energy: 0.6160461843305871
Energy: 0.6797328375328449
Energy: 0.6360117936616158
Energy: 0.649674736358535
Energy: 0.6959792653757887
Energy: 0.649674736358535
Energy: 0.6861846450064085
Energy: 0.7257753977423026
Energy: 0.6890756191879395
Energy: 0.7257753977423026
Energy: 0.6529810154553207
Energy: 0.6824400152961038
Energy: 0.629906260450529
Energy: 0.6824400152961038
Energy: 0.6219805732629371
Energy: 0.6790466292758169
Energy: 0.6317598677990043
Energy: 0.6790466292758169
Energy: 0.7816487880346731
Energy: 0.6839101127855235
Energy: 0.6300353955478977
Energy: 0.6839101127855235
Energy: 0.6347973753694696
Energy: 0.7601831386582761
Energy: 0.78104756043377
Energy: 0.7601831386577027
Energy: 0.6802598294502522
Energy: 0.6145964538459993
Energy: 0.629460151197449
Energy: 0.6145964538465726
Energy: 0.6461411204550483
Energy: 0.6532788833659633
Energy: 0.708309749818897
Energy: 0.6532788833659633
Energy: 0.6296036256072897
Energy: 0.7221330931761686
Energy: 0.7225899886289059
Energy: 0.7221330931767419
Energy: 0.6771835002011686
Energy: 0.6143161743433512
Energy: 0.6285479408027147
Energy: 0.6143161743433512
Energy: 0.6341685087171808
Energy: 0.7903773879200351
Energy: 0.7815286520056266
Energy: 0.7903773879200351
Energy: 0.7780299556717454
Energy: 0.727536187635732
Energy: 0.6290954612915021
Energy: 0.727536187635732
Energy: 0.6250124513427665
Energy: 0.6430608627355736
Energy: 0.6297082711577054
Energy: 0.6430608627350002
Energy: 0.6272319211552005
Energy: 0.6818027009291517
Energy: 0.6281291083862632
Energy: 0.6818027009285784
Energy: 0.6855419795725828
Energy: 0.7232301547018642
Energy: 0.71395638371159
Energy: 0.7232301547018642
Energy: 0.6448745013978926
Energy: 0.6922111010779395
Energy: 0.822202263031286
Energy: 0.6922111010785128

minimum gb energy = 0.6140727621412987 eV
minimum distance =  2.55555632317844 Angstroms
sigma value = 73


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

Energy: 0.6637687228989628
Energy: 0.6260218282490269
Energy: 0.8384218656183944
Energy: 0.6260218282490269
Energy: 0.6355122483516323
Energy: 0.6564717654983323
Energy: 0.6291947958228642
Energy: 0.6564717654974226
Energy: 0.6342349145831445
Energy: 0.6294172576991414
Energy: 0.6198130770789437
Energy: 0.6294172576982315
Energy: 0.6397477958520948
Energy: 0.6281907513968856
Energy: 0.6444452893056769
Energy: 0.6281907513968856
Energy: 0.6551933153162464
Energy: 0.6589338120690902
Energy: 0.6200268429406848
Energy: 0.6589338120690902
Energy: 0.6374210821438303
Energy: 0.6211799739064231
Energy: 0.7850919848095224
Energy: 0.6211799739064231
Energy: 0.7318158050773255
Energy: 0.7054572595564564
Energy: 0.639352181860428
Energy: 0.7054572595564564
Energy: 0.632742574179204
Energy: 0.6147109938077301
Energy: 0.694801556783747
Energy: 0.6147109938077301
Energy: 0.8407464466243986
Energy: 0.6164588615922305
Energy: 0.6169453009630261
Energy: 0.6164588615931401
Energy: 0.627829559729169
Energy: 0.6599621255864435
Energy: 0.6168397249542026
Energy: 0.6599621255873535
Energy: 0.6290250440665002
Energy: 0.6166501792885741
Energy: 0.7687046748210795
Energy: 0.6166501792885741
Energy: 0.6606954160164838
Energy: 0.627411334567312
Energy: 0.6399087011160256
Energy: 0.6274113345654925
Energy: 0.6317831946854267
Energy: 0.6496139408227101
Energy: 0.7293223338874498
Energy: 0.6496139408236198
Energy: 0.7819921013286983
Energy: 0.686293348286652
Energy: 0.6401001876472576
Energy: 0.6862933482857424
Energy: 0.6339685711645263
Energy: 0.6652542594501042
Energy: 0.7352715647525642
Energy: 0.6652542594501042
Energy: 0.7718184045956598
Energy: 0.6159612817632151
Energy: 0.633970977975007
Energy: 0.6159612817632151
Energy: 0.6674971729953042
Energy: 0.6802124942649361
Energy: 0.6342922188080868
Energy: 0.6802124942640264
Energy: 0.6664486141775864
Energy: 0.6793372494454957
Energy: 0.6408208803779852
Energy: 0.679337249447315
Energy: 0.7131935445870272
Energy: 0.6145810386714671
Energy: 0.6325680246833666
Energy: 0.6145810386714671
Energy: 0.6361998881723134
Energy: 0.6886052113484199
Energy: 0.8009498449158584
Energy: 0.6886052113475102
Energy: 0.770630139760687
Energy: 0.6209678516192604
Energy: 0.6382606098007787
Energy: 0.6209678516183507
Energy: 0.644331641667411
Energy: 0.6557073226916599
Energy: 0.7121092251204445
Energy: 0.6557073226916599

minimum gb energy = 0.6145810386714671 eV
minimum distance =  2.55365745159736 Angstroms
sigma value = 7


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

Energy: 0.6312800163265699
Energy: 0.6311034554130943
Energy: 0.822129847099238
Energy: 0.6311034554130943
Energy: 0.7491065590729905
Energy: 0.6546169114727795
Energy: 0.6187605290986071
Energy: 0.6546169114708495
Energy: 0.6246433370132444
Energy: 0.6315823059112021
Energy: 0.642050556309079
Energy: 0.6315823059118455
Energy: 0.6568002948906992
Energy: 0.6602989703199099
Energy: 0.6282565445020789
Energy: 0.66029897031798
Energy: 0.6247782988471249
Energy: 0.6494752762561808
Energy: 0.6315700807348509
Energy: 0.6494752762561808
Energy: 0.6251817241613471
Energy: 0.6322370447099219
Energy: 0.7875722230257509
Energy: 0.6322370447105652
Energy: 0.7320155553979257
Energy: 0.6923813097186566
Energy: 0.6505434389663818
Energy: 0.6923813097199433
Energy: 0.6250558946723502
Energy: 0.6314942142110497
Energy: 0.8277412390669748
Energy: 0.6314942142123363
Energy: 0.7060715052041784
Energy: 0.6558042758934802
Energy: 0.6269505100116967
Energy: 0.655804275892837
Energy: 0.6246076144254094
Energy: 0.665863617539097
Energy: 0.7028485128158893
Energy: 0.6658636175410267
Energy: 0.6561477257305496
Energy: 0.7082758833745125
Energy: 0.6509290295354496
Energy: 0.7082758833745125
Energy: 0.6311768636920466
Energy: 0.6494632946152771
Energy: 0.6561977638564483
Energy: 0.6494632946133473
Energy: 0.6336882419904598
Energy: 0.6324127878783562
Energy: 0.6545558987095205
Energy: 0.6324127878789996
Energy: 0.6317469064681474
Energy: 0.6283222783873306
Energy: 0.6443479011682401
Energy: 0.6283222783866874
Energy: 0.6163333788299672
Energy: 0.6599548486407103
Energy: 0.7546430663888314
Energy: 0.659954848640067
Energy: 0.8262518330340054
Energy: 0.6279989777830044
Energy: 0.6317349416542326
Energy: 0.6279989777823611
Energy: 0.625633503274284
Energy: 0.648228042842503
Energy: 0.6985325412079109
Energy: 0.6482280428405733
Energy: 0.6258588186090536
Energy: 0.6255819223045939
Energy: 0.6440305671188272
Energy: 0.6255819223058804
Energy: 0.6257874112679901
Energy: 0.7079864121170905
Energy: 0.6511430371079441
Energy: 0.7079864121183771
Energy: 0.6173256201879578
Energy: 0.6528537807723295
Energy: 0.630558090841346
Energy: 0.6528537807723295
Energy: 0.6403652225553341
Energy: 0.7088392133087755
Energy: 0.626983722882104
Energy: 0.7088392133107055
Energy: 0.6245706460028979
Energy: 0.6319557672284375
Energy: 0.6439502403883666
Energy: 0.6319557672284375
Energy: 0.786996440846238
Energy: 0.6563674767517045
Energy: 0.6438320199406181
Energy: 0.6563674767517045
Energy: 0.6314873679286257
Energy: 0.6311938345857989
Energy: 0.815998244341422
Energy: 0.6311938345864422
Energy: 0.6317195717228682
Energy: 0.6524763526912236
Energy: 0.650428248805349
Energy: 0.6524763526892938
Energy: 0.6377485570249741
Energy: 0.6607683686617167
Energy: 0.64938299518924
Energy: 0.6607683686630033
Energy: 0.6248043983345486
Energy: 0.6626782800353546
Energy: 0.6906930441597123
Energy: 0.6626782800359979
Energy: 0.672451960698565
Energy: 0.6485793814636474
Energy: 0.6282950385910406
Energy: 0.6485793814636474
Energy: 0.6287128276986426
Energy: 0.6312009278148814
Energy: 0.7426486857684094
Energy: 0.6312009278155246
Energy: 0.6823453674756994
Energy: 0.6448451247662627
Energy: 0.6177162197168147
Energy: 0.644845124764976
Energy: 0.6287167398281395
Energy: 0.6313246291562727
Energy: 0.7577786398036627
Energy: 0.6313246291562727

minimum gb energy = 0.6163333788299672 eV
minimum distance =  2.5399149279032 Angstroms
sigma value = 29


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

Energy: 0.5941618336848677
Energy: 0.5811460127966954
Energy: 0.8610218111083519
Energy: 0.5811460127971187
Energy: 0.6589475807415368
Energy: 0.5719420777176726
Energy: 0.5732689784305675
Energy: 0.5719420777172245
Energy: 0.6045244200156658
Energy: 0.6092057791000366
Energy: 0.6583998252982325
Energy: 0.6092057791002606
Energy: 0.5938142557395362
Energy: 0.5943385231362037
Energy: 0.6694644670728304
Energy: 0.5943385231362037
Energy: 0.5943031072945225
Energy: 0.5924024755616281
Energy: 0.6141462234211454
Energy: 0.5924024755618521
Energy: 0.5811715274905975
Energy: 0.6092193234324239
Energy: 0.5811856369162051
Energy: 0.6092193234321998
Energy: 0.5811474503971564
Energy: 0.5925416711853656
Energy: 0.5943040829440405
Energy: 0.5925416711853656
Energy: 0.6695248329924912
Energy: 0.5945352640572588
Energy: 0.5937857982899694
Energy: 0.5945352640572588
Energy: 0.6582637126712848
Energy: 0.609194233160922
Energy: 0.6585977496878277
Energy: 0.609194233160922

minimum gb energy = 0.5719420777172245 eV
minimum distance =  2.59977551220324 Angstroms
sigma value = 5


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

Energy: 0.5941082864364461
Energy: 0.591751783117417
Energy: 0.7119123992641486
Energy: 0.591751783117417
Energy: 0.6018829756711122
Energy: 0.5867098722892486
Energy: 0.591366652575975
Energy: 0.586709872288641
Energy: 0.5821407470014222
Energy: 0.5877762141941594
Energy: 0.6960319484134454
Energy: 0.5877762141941594
Energy: 0.5950894850724009
Energy: 0.6144080208129177
Energy: 0.5848484544543165
Energy: 0.61440802081231
Energy: 0.5861197202505682
Energy: 0.6173739088938197
Energy: 0.6402947304403055
Energy: 0.6173739088932121
Energy: 0.6178222671267769
Energy: 0.5922915515207859
Energy: 0.58111427895112
Energy: 0.5922915515213936
Energy: 0.5829907918003424
Energy: 0.6158036979706218
Energy: 0.593771740991004
Energy: 0.6158036979712295
Energy: 0.5805431705022699
Energy: 0.5927808631820383
Energy: 0.5832978387106583
Energy: 0.5927808631820383
Energy: 0.586555855120206
Energy: 0.6160812371134682
Energy: 0.5862776337157797
Energy: 0.6160812371134682
Energy: 0.5830679745119528
Energy: 0.616163005288469
Energy: 0.6030354328090091
Energy: 0.616163005288469
Energy: 0.5988759611088383
Energy: 0.6149860126447437
Energy: 0.5881705528663598
Energy: 0.6149860126459591
Energy: 0.5880162981914315
Energy: 0.6182226842628333
Energy: 0.5930377713273749
Energy: 0.6182226842622257
Energy: 0.6187084729746153
Energy: 0.5919149241394916
Energy: 0.5939012253234983
Energy: 0.5919149241394916
Energy: 0.5920677350616081
Energy: 0.5929365594644881
Energy: 0.6038299423872554
Energy: 0.5929365594650958
Energy: 0.7058100911071084
Energy: 0.5814072897265847
Energy: 0.588015935854129
Energy: 0.5814072897265847
Energy: 0.5833553502482479
Energy: 0.5881261786710557
Energy: 0.702626485948776
Energy: 0.5881261786710557
Energy: 0.6749317969170758
Energy: 0.5885186972820741
Energy: 0.5913403348892043
Energy: 0.5885186972820741
Energy: 0.586184986531191
Energy: 0.5918746288544341
Energy: 0.7550987716505222
Energy: 0.5918746288550418
Energy: 0.5924741236035581
Energy: 0.6173830396822128
Energy: 0.5835111507145462
Energy: 0.6173830396828205
Energy: 0.5831761947153201
Energy: 0.6452961306188751
Energy: 0.5845869809309412
Energy: 0.6452961306194828
Energy: 0.5931915123471907
Energy: 0.6129556574849744
Energy: 0.5870011644496832
Energy: 0.6129556574849744
Energy: 0.5941952849727653
Energy: 0.6159428765096479
Energy: 0.5815252854989962
Energy: 0.6159428765096479
Energy: 0.5911424105807151
Energy: 0.5930169350738754
Energy: 0.5968377215364055
Energy: 0.5930169350744829
Energy: 0.5918330807516722
Energy: 0.6175861602428179
Energy: 0.5910544780815006
Energy: 0.6175861602434256
Energy: 0.5970906709056193
Energy: 0.5924939010391296
Energy: 0.5891858012637455
Energy: 0.5924939010391296
Energy: 0.5917560445134433
Energy: 0.5929179381354367
Energy: 0.5861859327396137
Energy: 0.5929179381348291
Energy: 0.591179357082599
Energy: 0.5786327849407832
Energy: 0.6138613987947324
Energy: 0.5786327849389602
Energy: 0.7096265096229291
Energy: 0.6155680839492538
Energy: 0.5833467503398493
Energy: 0.6155680839486461
Energy: 0.5922572875698764
Energy: 0.5862517195725383
Energy: 0.6240856677581853
Energy: 0.586251719573146
Energy: 0.7623218536754791
Energy: 0.5918850674056473
Energy: 0.58611361326634
Energy: 0.5918850674056473
Energy: 0.5828235381316966
Energy: 0.5845973679863792
Energy: 0.7408848250551497
Energy: 0.5845973679863792
Energy: 0.6736511377541325
Energy: 0.6196638071924043
Energy: 0.5820694953558531
Energy: 0.619663807193012
Energy: 0.5849820238092146
Energy: 0.6144153851386863
Energy: 0.5919415555858205
Energy: 0.6144153851392941

minimum gb energy = 0.5786327849389602 eV
minimum distance =  2.52750893789067 Angstroms
sigma value = 1


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

Energy: 0.5659105607507706
Energy: 0.5659658464895967
Energy: 0.7201416119563272
Energy: 0.5659658464895967
Energy: 0.5907611439881734
Energy: 0.5536553839329154
Energy: 0.5660251472073053
Energy: 0.5536553839329154
Energy: 0.553716911107366
Energy: 0.5664194595752008
Energy: 0.6459187265754812
Energy: 0.5664194595743605
Energy: 0.6767054901320232
Energy: 0.5974736352817794
Energy: 0.5580232711180663
Energy: 0.5974736352809392
Energy: 0.5537340681399454
Energy: 0.5690015917833156
Energy: 0.6270215388383327
Energy: 0.5690015917833156
Energy: 0.5541631223155231
Energy: 0.5966082066833278
Energy: 0.5581995645946132
Energy: 0.5966082066824877
Energy: 0.5538751511684536
Energy: 0.608313682796221
Energy: 0.55723433940202
Energy: 0.6083136827970612
Energy: 0.5540301944945099
Energy: 0.5664614293387098
Energy: 0.5879672492092791
Energy: 0.5664614293378698
Energy: 0.5659253547806888
Energy: 0.5691040484482095
Energy: 0.5637045514008843
Energy: 0.5691040484490497
Energy: 0.5660176310244929
Energy: 0.5691989466107197
Energy: 0.5880297359662723
Energy: 0.5691989466107197
Energy: 0.5541118706494281
Energy: 0.5665927130625626
Energy: 0.5634927192156824
Energy: 0.5665927130617224
Energy: 0.5540048272654945
Energy: 0.6083741055346187
Energy: 0.5628150230660661
Energy: 0.6083741055346187
Energy: 0.5542080768155742
Energy: 0.5974842953547661
Energy: 0.5580275461660269
Energy: 0.5974842953556063
Energy: 0.5537049138818619
Energy: 0.5689848350382964
Energy: 0.6437432981423328
Energy: 0.5689848350382964
Energy: 0.6765451800872107
Energy: 0.5974355165986391
Energy: 0.5580274728516782
Energy: 0.5974355165994792
Energy: 0.5537079066452982
Energy: 0.5663877206144967
Energy: 0.5811344922624505
Energy: 0.5663877206136565
Energy: 0.5906522873832912
Energy: 0.5536462613510623
Energy: 0.5660263392276587
Energy: 0.5536462613519024
Energy: 0.565910560751611
Energy: 0.5659658464895967
Energy: 0.8109514544238874
Energy: 0.5659658464895967
Energy: 0.5907611439881734
Energy: 0.5536553839329154
Energy: 0.5660251472073053
Energy: 0.5536553839337556
Energy: 0.553716911107366
Energy: 0.5664194595752008
Energy: 0.7569527171325117
Energy: 0.5664194595743605
Energy: 0.6767054901320232
Energy: 0.5974736352817794
Energy: 0.558023271117226
Energy: 0.5974736352817794
Energy: 0.5537340681399454
Energy: 0.5690015917833156
Energy: 0.6270215388383327
Energy: 0.5690015917833156
Energy: 0.5541631223155231
Energy: 0.5966082066833278
Energy: 0.5581995645946132
Energy: 0.5966082066824877
Energy: 0.5538751511692939
Energy: 0.608313682796221
Energy: 0.5572343394549132
Energy: 0.6083136827970612

minimum gb energy = 0.5536462613510623 eV
minimum distance =  2.54447285413102 Angstroms
sigma value = 17


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

Energy: 0.562923344231637
Energy: 0.5630442646826647
Energy: 0.8236004437214616
Energy: 0.5630442646821453
Energy: 0.5920746066178185
Energy: 0.5608827102833205
Energy: 0.5561711519727066
Energy: 0.5608827102833205
Energy: 0.554365192167399
Energy: 0.5568516897460557
Energy: 0.5997280628964752
Energy: 0.5568516897460557
Energy: 0.5880524829690577
Energy: 0.5502132090151343
Energy: 0.5532116050226271
Energy: 0.5502132090151343
Energy: 0.5505817295770377
Energy: 0.5915516062021698
Energy: 0.6402775828548605
Energy: 0.5915516062021698
Energy: 0.5671421426608073
Energy: 0.6520221950850712
Energy: 0.5597118098783879
Energy: 0.6520221950855905
Energy: 0.5674357764111769
Energy: 0.5825990190890868
Energy: 0.5593247872526742
Energy: 0.5825990190885676
Energy: 0.549427760666597
Energy: 0.6538046444685711
Energy: 0.553669770641441
Energy: 0.6538046444685711
Energy: 0.5643257467022214
Energy: 0.6577101730805427
Energy: 0.5618612584671204
Energy: 0.6577101730805427
Energy: 0.5664842306878014
Energy: 0.5822393160330697
Energy: 0.5547265101809095
Energy: 0.5822393160330697
Energy: 0.5573697198288226
Energy: 0.6480001552424074
Energy: 0.5566452964390363
Energy: 0.6480001552429266
Energy: 0.5528380266296743
Energy: 0.5814439316538389
Energy: 0.5476213582416218
Energy: 0.5814439316533195
Energy: 0.5506299894204539
Energy: 0.6531520515822608
Energy: 0.5558554326012387
Energy: 0.65315205158278
Energy: 0.5616963510301269
Energy: 0.5903938794010132
Energy: 0.5630520745384658
Energy: 0.5903938794004938
Energy: 0.5528050704525367
Energy: 0.6480513301265993
Energy: 0.5684871163283005
Energy: 0.6480513301265993
Energy: 0.5575491348995611
Energy: 0.5573131450490405
Energy: 0.640750700066405
Energy: 0.5573131450485213
Energy: 0.5757844855684943
Energy: 0.6474159210700583
Energy: 0.556025662126143
Energy: 0.6474159210700583
Energy: 0.5502570503546207
Energy: 0.5632387768341329
Energy: 0.7612207645464489
Energy: 0.5632387768346524
Energy: 0.6054348529470984
Energy: 0.5836822646368434
Energy: 0.5563489031918231
Energy: 0.5836822646373626
Energy: 0.5568216192556363
Energy: 0.55666934781762
Energy: 0.7107161474055321
Energy: 0.5566693478181394
Energy: 0.5693067886050227
Energy: 0.5562528131674991
Energy: 0.5656549626380979
Energy: 0.5562528131669797
Energy: 0.5662558054023251
Energy: 0.5643533642698709
Energy: 0.5699625010922045
Energy: 0.5643533642693516
Energy: 0.5760928811389493
Energy: 0.556153278417045
Energy: 0.5580893759342865
Energy: 0.5561532784175642
Energy: 0.5567614349129447
Energy: 0.5834037639507211
Energy: 0.6440022742511244
Energy: 0.5834037639507211
Energy: 0.6844299641049871
Energy: 0.5633619767208181
Energy: 0.5515221228118655
Energy: 0.5633619767208181
Energy: 0.557474041154501
Energy: 0.5911503621005633
Energy: 0.5543802525938667
Energy: 0.5911503621010825
Energy: 0.6202623055431857
Energy: 0.5793819653590965
Energy: 0.5587336558766376
Energy: 0.5793819653560278
Energy: 0.5713165106417588
Energy: 0.6485802576273493
Energy: 0.5557173554705965
Energy: 0.6485802576263108
Energy: 0.5630372323642494
Energy: 0.5897336791174433
Energy: 0.5638382082499852
Energy: 0.589733679116924
Energy: 0.5574445764330442
Energy: 0.653818769908273
Energy: 0.5655350142431121
Energy: 0.6538187699077538
Energy: 0.5548759094881653
Energy: 0.5891566848458755
Energy: 0.557302888278234
Energy: 0.5891566848458755
Energy: 0.559777322952801
Energy: 0.6466136533220552
Energy: 0.5552988482170305
Energy: 0.646613653321536
Energy: 0.5589315944337142
Energy: 0.5824268735513424
Energy: 0.6274747879970437
Energy: 0.5824268735513424
Energy: 0.5769511698154927
Energy: 0.6568686751513575
Energy: 0.5620901150641612
Energy: 0.6568686751518767
Energy: 0.5531378732699211
Energy: 0.5636141821595028
Energy: 0.5783571616143771
Energy: 0.5636141821589836
Energy: 0.5603131202538552
Energy: 0.5835023755130608
Energy: 0.5681860074290129
Energy: 0.5835023755125416
Energy: 0.5580343805065299
Energy: 0.6517491255605597
Energy: 0.5689385569311125
Energy: 0.651749125561079
Energy: 0.5770829790328953
Energy: 0.5923922272402631
Energy: 0.5577200384653702
Energy: 0.5923922272397437

minimum gb energy = 0.5476213582416218 eV
minimum distance =  2.54126284570515 Angstroms
sigma value = 89


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

Energy: 0.49262444283532514
Energy: 0.4926728516349169
Energy: 0.7148447291724486
Energy: 0.4926728516349169
Energy: 0.4929567260454225
Energy: 0.5088652865207748
Energy: 0.5033439166874262
Energy: 0.5088652865207748
Energy: 0.5014170432927221
Energy: 0.5728465029327985
Energy: 0.6302445179540549
Energy: 0.5728465029327985
Energy: 0.6318783266817688
Energy: 0.5088637518729858
Energy: 0.503381125344501
Energy: 0.5088637518729858
Energy: 0.501395168554523
Energy: 0.4942520552166482
Energy: 0.6333191832696293
Energy: 0.4942520552166482
Energy: 0.5015121178809018
Energy: 0.4928595875576094
Energy: 0.4949801679709827
Energy: 0.4928595875576094
Energy: 0.5015809405700441
Energy: 0.5732788270110049
Energy: 0.49284639684743525
Energy: 0.5732788270110049
Energy: 0.5058157559582634
Energy: 0.6666762381412448
Energy: 0.5032116676579738
Energy: 0.6666762381412448
Energy: 0.5014347041698324
Energy: 0.5322761603891983
Energy: 0.6300629624222007
Energy: 0.5322761603891983
Energy: 0.5088723485258312
Energy: 0.6206230905803927
Energy: 0.5013874239136796
Energy: 0.6206230905803927
Energy: 0.4925916028778265
Energy: 0.5089565329514699
Energy: 0.5013559612120775
Energy: 0.5089565329514699
Energy: 0.4926465327668805
Energy: 0.571280431633655
Energy: 0.5032752250026735
Energy: 0.571280431633655
Energy: 0.5015056387420032
Energy: 0.5304263577592515
Energy: 0.5043991046051216
Energy: 0.5304263577606102
Energy: 0.5014275873131954
Energy: 0.5300912831174248
Energy: 0.5014502883060461
Energy: 0.5300912831187836
Energy: 0.4954949555806895
Energy: 0.5304393659830382
Energy: 0.5013961461545865
Energy: 0.5304393659816795

minimum gb energy = 0.4925916028778265 eV
minimum distance =  2.5528769871993 Angstroms
sigma value = 13


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

Energy: 0.5018066517668713
Energy: 0.4923348474745127
Energy: 0.6491551931490892
Energy: 0.4923348474722347
Energy: 0.526787603677668
Energy: 0.503189432606403
Energy: 0.4913371399676862
Energy: 0.5031894326075421
Energy: 0.4927455929054355
Energy: 0.4926038895814599
Energy: 0.5696454987508109
Energy: 0.49260388957975143
Energy: 0.49090376436285715
Energy: 0.5033106380368855
Energy: 0.48836323584192187
Energy: 0.503310638037455
Energy: 0.49641452001936104
Energy: 0.5184751983045719
Energy: 0.5216227062826357
Energy: 0.5184751983017243
Energy: 0.4859703210459724
Energy: 0.5055274536791015
Energy: 0.4917374694701444
Energy: 0.5055274536779624
Energy: 0.4962092218779872
Energy: 0.6212917416980772
Energy: 0.5994207349693975
Energy: 0.6212917417003551
Energy: 0.4854165937321578
Energy: 0.5036601200161792
Energy: 0.4917426710695561
Energy: 0.5036601200167488
Energy: 0.4962786809615292
Energy: 0.5210369626531518
Energy: 0.5449937744336966
Energy: 0.5210369626531518
Energy: 0.5756662022630853
Energy: 0.5274997167884771
Energy: 0.4883184296000636
Energy: 0.5274997167879075
Energy: 0.49645289311295493
Energy: 0.5282421854501348
Energy: 0.4925771237955274
Energy: 0.5282421854501348
Energy: 0.5956938794492215
Energy: 0.5278292172942983
Energy: 0.4927233527937058
Energy: 0.5278292172942983
Energy: 0.5081845949740051
Energy: 0.49660128552898347
Energy: 0.5012819930603473
Energy: 0.49660128553126137
Energy: 0.6084898476613706
Energy: 0.5277277550632716
Energy: 0.4928838970756424
Energy: 0.5277277550627021
Energy: 0.4963497724521486
Energy: 0.4918790203448447
Energy: 0.48947175987866764
Energy: 0.4918790203437057
Energy: 0.48438164584948035
Energy: 0.5276593170448247
Energy: 0.48679306501218905
Energy: 0.5276593170436857
Energy: 0.4924007134817359
Energy: 0.5144000880441868
Energy: 0.48709819801595966
Energy: 0.5144000880453257
Energy: 0.4911226318931396
Energy: 0.5199214361007265
Energy: 0.48999460179666
Energy: 0.5199214361018656
Energy: 0.49228584547836235
Energy: 0.5221613157070153
Energy: 0.48993956680847917
Energy: 0.5221613157081544
Energy: 0.49228943719649343
Energy: 0.5223694338041064
Energy: 0.49013183944137845
Energy: 0.5223694338035368
Energy: 0.49102238598863435
Energy: 0.5198927124847594
Energy: 0.49006419566335563
Energy: 0.5198927124836205
Energy: 0.49215660489676594
Energy: 0.5144262830468155
Energy: 0.48711582807805304
Energy: 0.5144262830468155
Energy: 0.4843603189764833
Energy: 0.5277236462693108
Energy: 0.4870533845503145
Energy: 0.5277236462676023
Energy: 0.4963502978441243
Energy: 0.4918353869803414
Energy: 0.4878406361813373
Energy: 0.4918353869820499
Energy: 0.608869548388357
Energy: 0.52787891077441
Energy: 0.49289914291988646
Energy: 0.5278789107772575
Energy: 0.5086064619590782
Energy: 0.4965151760002005
Energy: 0.48621884924905784
Energy: 0.496515175999631
Energy: 0.5958680542025825
Energy: 0.527858057619145
Energy: 0.49268001290569147
Energy: 0.527858057618006
Energy: 0.49627203164723627
Energy: 0.5280636043396459
Energy: 0.4924353536074127
Energy: 0.5280636043396459
Energy: 0.5754690075464337
Energy: 0.5276318583414913
Energy: 0.48831169679094455
Energy: 0.5276318583403522
Energy: 0.4965268219903118
Energy: 0.5210589068680036
Energy: 0.5847024703543429
Energy: 0.5210589068674341
Energy: 0.48544552043333583
Energy: 0.5034571802201979
Energy: 0.4916187408244473
Energy: 0.5034571802190589
Energy: 0.49911771157841806
Energy: 0.6219279537647929
Energy: 0.635814469355799
Energy: 0.6219279537647929
Energy: 0.48603992493144765
Energy: 0.5056501476346049
Energy: 0.4917729443264022
Energy: 0.5056501476363134
Energy: 0.49634428783848944
Energy: 0.5186736816619273
Energy: 0.5238492006100242
Energy: 0.5186736816613577
Energy: 0.49095102255939005
Energy: 0.5032087976004043
Energy: 0.48837259508493125
Energy: 0.5032087976004043

minimum gb energy = 0.4843603189764833 eV
minimum distance =  2.56768965155371 Angstroms
sigma value = 37


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

Energy: 0.5324898232463311
Energy: 0.5427284712548519
Energy: 0.45514658297874805
Energy: 0.542728471253872
Energy: 0.5248068202028469
Energy: 0.5863025774783216
Energy: 0.4514480464797558
Energy: 0.5863025774783216
Energy: 0.46064029513360816
Energy: 0.6004996045232439
Energy: 0.602331706470244
Energy: 0.6004996045232439
Energy: 0.4897004992307215
Energy: 0.462441391681198
Energy: 0.4532852679606968
Energy: 0.46244139168217785
Energy: 0.45272016931997183
Energy: 0.5865223479935521
Energy: 0.47586464688115465
Energy: 0.5865223479935521
Energy: 0.45534382311961774
Energy: 0.5882274051682562
Energy: 0.5102026742247415
Energy: 0.5882274051682562
Energy: 0.45979195402807493
Energy: 0.7157611022912924
Energy: 0.5836911815964411
Energy: 0.7157611022912924
Energy: 0.4411589890944663
Energy: 0.46191262675414235
Energy: 0.46352028848836674
Energy: 0.46191262675414235
Energy: 0.45185482358987406
Energy: 0.5867769275169537
Energy: 0.5424960302241161
Energy: 0.5867769275169537
Energy: 0.6026575584357838
Energy: 0.587099417011215
Energy: 0.5101774764992135
Energy: 0.5870994170121949
Energy: 0.4523816438779394
Energy: 0.6866964815482871
Energy: 0.4955317739961474
Energy: 0.6866964815482871
Energy: 0.607444692745035
Energy: 0.4616776807498895
Energy: 0.45338152127108855
Energy: 0.4616776807498895
Energy: 0.5082988616726917
Energy: 0.5867241425258392
Energy: 0.44947214742060176
Energy: 0.5867241425248594
Energy: 0.5983479054233858
Energy: 0.7133932678009346
Energy: 0.4456888214319542
Energy: 0.7133932678009346
Energy: 0.5326517974950129
Energy: 0.4843376859706927
Energy: 0.44590348059426066
Energy: 0.4843376859706927
Energy: 0.5271775788855755
Energy: 0.5873370363070924
Energy: 0.4513504405136928
Energy: 0.5873370363080722
Energy: 0.5083137233130189
Energy: 0.5878282951785795
Energy: 0.45180623254839675
Energy: 0.5878282951795594
Energy: 0.49558900104476217
Energy: 0.6876944075279245
Energy: 0.4524379211379687
Energy: 0.6876944075279245
Energy: 0.4524878565214918
Energy: 0.46169131438848865
Energy: 0.4505418955721703
Energy: 0.46169131438848865
Energy: 0.4502786214360693
Energy: 0.5873818356172726
Energy: 0.5037776435323382
Energy: 0.5873818356162928

minimum gb energy = 0.4411589890944663 eV
minimum distance =  2.54528901605251 Angstroms
sigma value = 25


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

Energy: 0.4311889445929503
Energy: 0.4136772850999901
Energy: 0.419013401306213
Energy: 0.4136772850999901
Energy: 0.4911418781549128
Energy: 0.6167822680705041
Energy: 0.412581632937283
Energy: 0.6167822680705041
Energy: 0.4078178812588645
Energy: 0.4079131648473024
Energy: 0.7367857992370849
Energy: 0.4079131648473024
Energy: 0.41644134457219434
Energy: 0.618379577162082
Energy: 0.4115680241177882
Energy: 0.618379577161317
Energy: 0.41169205804545117
Energy: 0.6166284098802505
Energy: 0.41966481158797975
Energy: 0.6166284098802505
Energy: 0.3986499321323029
Energy: 0.6185731677369564
Energy: 0.4126988422605538
Energy: 0.6185731677369564
Energy: 0.41225506206972135
Energy: 0.4094757034931105
Energy: 0.4178249772151065
Energy: 0.4094757034931105
Energy: 0.4000226510029927
Energy: 0.5331075697469272
Energy: 0.40881691847651674
Energy: 0.5331075697469272
Energy: 0.4115664129838032
Energy: 0.6168736411678117
Energy: 0.5281048629196308
Energy: 0.6168736411678117
Energy: 0.3993645773424974
Energy: 0.41054960424887116
Energy: 0.4320934566039915
Energy: 0.41054960424734094
Energy: 0.4122318825842118
Energy: 0.40926287641481046
Energy: 0.5523507640092926
Energy: 0.40926287641557557
Energy: 0.5113767132193315
Energy: 0.651556121380917
Energy: 0.40882169183836786
Energy: 0.651556121380917
Energy: 0.4115186667955109
Energy: 0.6173665334303777
Energy: 0.4755679806059648
Energy: 0.6173665334303777
Energy: 0.520837641056102
Energy: 0.6295136292995683
Energy: 0.4126110097044869
Energy: 0.6295136292995683
Energy: 0.4120955818194637
Energy: 0.40923255797487984
Energy: 0.40248105391167616
Energy: 0.40923255797487984
Energy: 0.5053103917221313
Energy: 0.6376698289408811
Energy: 0.4114065494247758
Energy: 0.637669828940116
Energy: 0.41165988689258426
Energy: 0.5331823876148967
Energy: 0.40005245205043116
Energy: 0.5331823876148967
Energy: 0.4896502414840352
Energy: 0.6163813366476455
Energy: 0.41240589071631745
Energy: 0.6163813366484105
Energy: 0.4349614519094867
Energy: 0.4081232118815258
Energy: 0.3989688987906838
Energy: 0.4081232118815258
Energy: 0.552194385291417
Energy: 0.6351326484463756
Energy: 0.4112967103778655
Energy: 0.6351326484463756
Energy: 0.4117549401112192
Energy: 0.6502301441564409
Energy: 0.400218625306067
Energy: 0.6502301441564409
Energy: 0.40810416783782577
Energy: 0.6166754635833738
Energy: 0.41092192112699816
Energy: 0.6166754635833738
Energy: 0.412334612392346
Energy: 0.6283061705133872
Energy: 0.5209741459355014
Energy: 0.6283061705133872
Energy: 0.3995193253461384
Energy: 0.6344078417953127
Energy: 0.41126884650845624
Energy: 0.6344078417953127
Energy: 0.41143736970807027
Energy: 0.6504365883846771
Energy: 0.496246154564489
Energy: 0.6504365883846771
Energy: 0.3990618680784971
Energy: 0.5328872965751383
Energy: 0.40792940876348116
Energy: 0.5328872965751383

minimum gb energy = 0.3986499321323029 eV
minimum distance =  2.48337151609851 Angstroms
sigma value = 41


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

Energy: 0.532282319663715
Energy: 0.5508722270891494
Energy: 0.7015614983358059
Energy: 0.5508722270891494
Energy: 0.5044645637888981
Energy: 0.3796957367394374
Energy: 0.37226211745234866
Energy: 0.37969573673818285
Energy: 0.3821882937459726
Energy: 0.373712105207391
Energy: 0.4707044626893516
Energy: 0.373712105207391
Energy: 0.4437550327466104
Energy: 0.37737117666826825
Energy: 0.37220606990323973
Energy: 0.37737117666826825
Energy: 0.3693468988856714
Energy: 0.5579614965130986
Energy: 0.3863905345597575
Energy: 0.5579614965137258
Energy: 0.38312588597677066
Energy: 0.3764660667442952
Energy: 0.3723017076533399
Energy: 0.3764660667386499
Energy: 0.37158557767936956
Energy: 0.38054063014762524
Energy: 0.38367910433245805
Energy: 0.3805406301513888
Energy: 0.3655321761311568
Energy: 0.46806864159610956
Energy: 0.36993939753195343
Energy: 0.4680686415967369
Energy: 0.3738712134822897
Energy: 0.5763015445712055
Energy: 0.4743827148085806
Energy: 0.5763015445712055
Energy: 0.36944923344131597
Energy: 0.372053182371881
Energy: 0.38268987494763756
Energy: 0.37205318237627183
Energy: 0.3716239544879549
Energy: 0.3785682497725576
Energy: 0.5046925119227784
Energy: 0.3785682497725576
Energy: 0.36482582351207965
Energy: 0.549472796186883
Energy: 0.5328323747088203
Energy: 0.549472796186883
Energy: 0.37391449894952744
Energy: 0.5777208426523031
Energy: 0.552921584813413
Energy: 0.5777208426523031
Energy: 0.4586974013217219
Energy: 0.49805823603372784
Energy: 0.3826411208480875
Energy: 0.49805823603372784
Energy: 0.3715981084121765
Energy: 0.3792499704293254
Energy: 0.489641628871722
Energy: 0.3792499704299526
Energy: 0.46676281905197214
Energy: 0.5782542128705594
Energy: 0.3698548934613559
Energy: 0.5782542128699322
Energy: 0.3739498575221389
Energy: 0.5773133313296438
Energy: 0.4597234898363615
Energy: 0.5773133313296438
Energy: 0.4637018408880425
Energy: 0.49598019275329897
Energy: 0.37219221605262254
Energy: 0.49598019275392624
Energy: 0.3716706902311934
Energy: 0.4680220581013881
Energy: 0.3652740299986781
Energy: 0.46802205810013364
Energy: 0.4496092201224599
Energy: 0.5782348553858139
Energy: 0.37407841632107264
Energy: 0.5782348553858139
Energy: 0.3844207163428589
Energy: 0.5774750542886442
Energy: 0.3666373226885718
Energy: 0.5774750542886442
Energy: 0.5880890723243143
Energy: 0.6068836324927893
Energy: 0.37219364243295544
Energy: 0.6068836324934165
Energy: 0.5340036766891564
Energy: 0.5497644976986107
Energy: 0.36531404841572335
Energy: 0.5497644976973562
Energy: 0.5021965898538033
Energy: 0.5780132413160153
Energy: 0.37402058241489944
Energy: 0.5780132413160153
Energy: 0.38445698689932506
Energy: 0.5761651196213609
Energy: 0.3669218494507444
Energy: 0.5761651196219881
Energy: 0.48841535904794076
Energy: 0.6056367558953117
Energy: 0.37217472366681026
Energy: 0.6056367558953117
Energy: 0.37170105220098887
Energy: 0.5756389559713336
Energy: 0.4677614482070416
Energy: 0.5756389559713336
Energy: 0.3739475712543825
Energy: 0.5766658821828122
Energy: 0.3739335845621981
Energy: 0.5766658821828122
Energy: 0.3739630042987822
Energy: 0.599644560141264
Energy: 0.46419110160743904
Energy: 0.599644560141264
Energy: 0.3696730693637493
Energy: 0.5948349475244371
Energy: 0.374265012874595
Energy: 0.5948349475244371
Energy: 0.37185468542083805
Energy: 0.5758006618614082
Energy: 0.45167861667896864
Energy: 0.5758006618614082
Energy: 0.3696468977889519
Energy: 0.576545690283101
Energy: 0.3870673458386915
Energy: 0.576545690283101

minimum gb energy = 0.36482582351207965 eV
minimum distance =  2.47864034851322 Angstroms
sigma value = 15


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

Energy: 0.48506882946583874
Energy: 0.5429636493779765
Energy: 0.5864925936154802
Energy: 0.5429636493785079
Energy: 0.541823692628297
Energy: 0.5208702935929386
Energy: 0.3499884990007662
Energy: 0.5208702935929386
Energy: 0.3605460379071935
Energy: 0.5003508042554491
Energy: 0.6029932850394804
Energy: 0.5003508042554491
Energy: 0.4579144820359002
Energy: 0.5333969401124473
Energy: 0.3499384698221541
Energy: 0.5333969401124473
Energy: 0.3480956431963757
Energy: 0.5493050611628514
Energy: 0.5148097089100355
Energy: 0.54930506116232
Energy: 0.40726651314530327
Energy: 0.5192790399955706
Energy: 0.34985859127109453
Energy: 0.5192790399961018
Energy: 0.34949796108642667
Energy: 0.500829382613969
Energy: 0.35641552819913935
Energy: 0.5008293826145005
Energy: 0.356489063082204
Energy: 0.49964526132298975
Energy: 0.34987283423979265
Energy: 0.4996452613219269
Energy: 0.3510216569480587
Energy: 0.5473583378959181
Energy: 0.4076305086007239
Energy: 0.5473583378964495
Energy: 0.33971919796043415
Energy: 0.5230263032156511
Energy: 0.3484342884674984
Energy: 0.5230263032161824
Energy: 0.3496095728086233
Energy: 0.5196358734435048
Energy: 0.459769920290475
Energy: 0.5196358734440361
Energy: 0.3408183751552422
Energy: 0.35067948537807814
Energy: 0.3607520001798198
Energy: 0.35067948537807814
Energy: 0.3512441045570224
Energy: 0.5470663259793065
Energy: 0.5392255678707564
Energy: 0.5470663259793065
Energy: 0.3407019804028944
Energy: 0.5540097924351707
Energy: 0.4855589941134412
Energy: 0.5540097924357021
Energy: 0.3494982019551124
Energy: 0.5221052987091667
Energy: 0.5413485499169507
Energy: 0.5221052987091667
Energy: 0.41621365162263774
Energy: 0.5005332306075057
Energy: 0.360755612338164
Energy: 0.5005332306075057
Energy: 0.35101037625752707
Energy: 0.5469739660893849
Energy: 0.4603457273823725
Energy: 0.5469739660899162
Energy: 0.4263565804448782
Energy: 0.5600458456042668
Energy: 0.3484120353840424
Energy: 0.5600458456037355
Energy: 0.3494873754660517
Energy: 0.5223019653769017
Energy: 0.4097058218050378
Energy: 0.5223019653769017
Energy: 0.4209253743716295
Energy: 0.5219935571049398
Energy: 0.3498228918241041
Energy: 0.5219935571049398
Energy: 0.3509548478538168
Energy: 0.5336394505330767
Energy: 0.3573096351026891
Energy: 0.5336394505325454
Energy: 0.4234486478631707
Energy: 0.5589288607207472
Energy: 0.35273791449569114
Energy: 0.5589288607207472
Energy: 0.34946564119205337
Energy: 0.5218725001432396
Energy: 0.3386804254948683
Energy: 0.5218725001427083
Energy: 0.5204125122868792
Energy: 0.5221289790060364
Energy: 0.34986169906222453
Energy: 0.5221289790049737
Energy: 0.3618880191078622
Energy: 0.5332875968023606
Energy: 0.3443041763597632
Energy: 0.5332875968023606
Energy: 0.539335098591471
Energy: 0.5585569179218755
Energy: 0.35276656092585434
Energy: 0.5585569179208126
Energy: 0.4862410069389319
Energy: 0.5403074267304971
Energy: 0.33882192309220416
Energy: 0.5403074267304971
Energy: 0.615792600436449
Energy: 0.5225810672463715
Energy: 0.3498343552600163
Energy: 0.5225810672458401
Energy: 0.36200182301446754
Energy: 0.5589373854698865
Energy: 0.34438318455847355
Energy: 0.5589373854688238
Energy: 0.44616376389658796
Energy: 0.5481089907954322
Energy: 0.35277851725259324
Energy: 0.5481089907949008
Energy: 0.3494998713826098
Energy: 0.5471295588173916
Energy: 0.4288377508296631
Energy: 0.5471295588168602
Energy: 0.4504499028960143
Energy: 0.5219255870460745
Energy: 0.350010972273991
Energy: 0.5219255870466059
Energy: 0.3510027170128894
Energy: 0.5596913577453275
Energy: 0.4286041595980073
Energy: 0.5596913577442647
Energy: 0.34152501967704785
Energy: 0.533193076111534
Energy: 0.3528524073255339
Energy: 0.5331930761110025
Energy: 0.343288567051872
Energy: 0.5472310826726696
Energy: 0.4291653928978582
Energy: 0.5472310826726696
Energy: 0.34969353592234376
Energy: 0.5218010481171765
Energy: 0.35129620615832685
Energy: 0.5218010481171765
Energy: 0.3509216671170492
Energy: 0.5598199468725032
Energy: 0.5164910167927964
Energy: 0.5598199468730345

minimum gb energy = 0.3386804254948683 eV
minimum distance =  2.5607379281794 Angstroms
sigma value = 85


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

Energy: 0.45636356946541123
Energy: 0.5043091468001281
Energy: 0.6539170057298085
Energy: 0.5043091468001281
Energy: 0.5648627107783333
Energy: 0.4792331023894011
Energy: 0.3193889438441051
Energy: 0.4792331023894011
Energy: 0.43781209625808215
Energy: 0.45559940998209353
Energy: 0.39751743617328755
Energy: 0.45559940998209353
Energy: 0.4952449957735182
Energy: 0.4791840331698109
Energy: 0.31941566890655404
Energy: 0.4791840331698109
Energy: 0.3330606403148186
Energy: 0.4423338882716355
Energy: 0.47428798357659896
Energy: 0.4423338882716355
Energy: 0.4247755559810376
Energy: 0.4806521393834117
Energy: 0.31932545771050486
Energy: 0.48065213938387263
Energy: 0.3174475691150655
Energy: 0.4647290732302799
Energy: 0.33735661136553763
Energy: 0.4647290732302799
Energy: 0.38086316560234357
Energy: 0.47878730401077024
Energy: 0.3194632015697104
Energy: 0.47878730401077024
Energy: 0.31901984816985224
Energy: 0.44879276409980023
Energy: 0.38100361542190014
Energy: 0.44879276409980023
Energy: 0.33723874491712563
Energy: 0.4645398268112687
Energy: 0.3178487666476491
Energy: 0.46453982681080785
Energy: 0.3203447951334065
Energy: 0.4799097402896472
Energy: 0.42480355359092575
Energy: 0.4799097402896472
Energy: 0.30583274704601254
Energy: 0.4791402240758002
Energy: 0.33335986568664905
Energy: 0.47914022407533935
Energy: 0.3190076387476368
Energy: 0.4484167678556327
Energy: 0.526822883690014
Energy: 0.4484167678556327
Energy: 0.3062574084890893
Energy: 0.4555432284186642
Energy: 0.4380249402458422
Energy: 0.4555432284186642
Energy: 0.3203813404477411
Energy: 0.4791958796047993
Energy: 0.565396101230666
Energy: 0.4791958796043385
Energy: 0.30453918837007343
Energy: 0.5044304158619349
Energy: 0.45668177485618544
Energy: 0.5044304158623957
Energy: 0.3190769993164969
Energy: 0.4483163433177498
Energy: 0.5652613041931733
Energy: 0.44831634331821063
Energy: 0.37096322011477606
Energy: 0.45553649084433595
Energy: 0.43818319990694876
Energy: 0.4555364908438751
Energy: 0.3203636235631084
Energy: 0.47916913287844887
Energy: 0.49613545657811764
Energy: 0.47916913287844887
Energy: 0.37850074790872107
Energy: 0.5137748791923532
Energy: 0.33346149484171334
Energy: 0.5137748791923532
Energy: 0.3189915914017108
Energy: 0.4486277627119799
Energy: 0.45928176863924536
Energy: 0.4486277627119799
Energy: 0.3771360946231996
Energy: 0.4796623487917336
Energy: 0.31785016640388614
Energy: 0.4796623487917336
Energy: 0.32030715971583074
Energy: 0.47862735823549796
Energy: 0.38151191145421
Energy: 0.4786273582359588
Energy: 0.3795715595608134
Energy: 0.5117844514126166
Energy: 0.3194860646892174
Energy: 0.5117844514130775
Energy: 0.3189057450998592
Energy: 0.3958576015903794
Energy: 0.33775325913113935
Energy: 0.3958576015908402
Energy: 0.4509957559035642
Energy: 0.47906506105387625
Energy: 0.3197693236451829
Energy: 0.47906506105387625
Energy: 0.3345321666265793
Energy: 0.47899022882323433
Energy: 0.3063963840492233
Energy: 0.47899022882323433
Energy: 0.45726529361450424
Energy: 0.5119577329893414
Energy: 0.3194016596154015
Energy: 0.5119577329888805
Energy: 0.4390080537518984
Energy: 0.4555853965804732
Energy: 0.30650137565995406
Energy: 0.4555853965804732
Energy: 0.6109602449441084
Energy: 0.47908577329895263
Energy: 0.3195457509122673
Energy: 0.47908577329895263
Energy: 0.45764457307388884
Energy: 0.5012351413922483
Energy: 0.3051924455989423
Energy: 0.5012351413922483
Energy: 0.5512836749077425
Energy: 0.5126988967003131
Energy: 0.3194110611287227
Energy: 0.5126988967003131
Energy: 0.43912042341598856
Energy: 0.4555764997048771
Energy: 0.3057390326453745
Energy: 0.4555764997053379
Energy: 0.5437470824215862
Energy: 0.47902891562053185
Energy: 0.3199345559712699
Energy: 0.4790289156209927
Energy: 0.3345009528612225
Energy: 0.5099638069458772
Energy: 0.3787014544361627
Energy: 0.5099638069458772
Energy: 0.3991370978439563
Energy: 0.5103192229135078
Energy: 0.31932505425111446
Energy: 0.5103192229135078
Energy: 0.3190654584807018
Energy: 0.47934863585085985
Energy: 0.37735491811250854
Energy: 0.47934863585039905
Energy: 0.3935670469202386
Energy: 0.4785477133615996
Energy: 0.31988816844910695
Energy: 0.4785477133615996
Energy: 0.32044907093615693
Energy: 0.5100512674086912
Energy: 0.3793807609160519
Energy: 0.5100512674086912
Energy: 0.30798636255771517
Energy: 0.4980792009237985
Energy: 0.32063519855361633
Energy: 0.4980792009242592
Energy: 0.3188952463624439
Energy: 0.47917068576662847
Energy: 0.46464272676887786
Energy: 0.47917068576662847
Energy: 0.30465630535037386
Energy: 0.4787223971683123
Energy: 0.33340653867626746
Energy: 0.47872239716877313
Energy: 0.32038467183580455
Energy: 0.5099456709735126
Energy: 0.4570930746525302
Energy: 0.5099456709735126

minimum gb energy = 0.30453918837007343 eV
minimum distance =  2.5611671161448 Angstroms
sigma value = 113


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

Energy: 0.011735057889185987
Energy: 0.013136781845552616
Energy: 0.3929560941101117
Energy: 0.013136781845552616
Energy: 0.3926159773295359
Energy: 0.17518896760899247
Energy: 0.1755285274542184
Energy: 0.17518896760865788
Energy: 0.011735057889185987
Energy: 0.013136781845906904
Energy: 0.3929480106796993
Energy: 0.013136781845906904
Energy: 0.3926159773295359
Energy: 0.17518896760865788
Energy: 0.17552663238321495
Energy: 0.17518896760865788
Energy: 0.011735057889185987
Energy: 0.013136781845552616
Energy: 0.39295905841281414
Energy: 0.013136781845906904
Energy: 0.3926159773295359
Energy: 0.17518896760899247
Energy: 0.17551912162367508
Energy: 0.17518896760830358

minimum gb energy = 0.011735057889185987 eV
minimum distance =  2.83530856683076 Angstroms
sigma value = 1