Model name: model_name=MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_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=4.044650778174401
cohesive_energy=3.3602642807338423
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: 0.01038412807192676
Energy: 0.010868816955593637
Energy: 0.3829933126056493
Energy: 0.010868816955593637
Energy: 0.010868816955593637
Energy: 0.5098374399275959
Energy: 0.010868816955092597
Energy: 0.5098374399275959
Energy: 0.3829933126056493
Energy: 0.010868816955593637
Energy: 0.01038412807192676
Energy: 0.010868816955092597
Energy: 0.010868816955593637
Energy: 0.5098374399275959
Energy: 0.010868816955593637
Energy: 0.5098374399275959

minimum gb energy = 0.01038412807192676 eV
minimum distance =  2.70790587713062 Angstroms
sigma value = 1


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

Energy: 0.5704784965855815
Energy: 0.5619002450568394
Energy: 0.6020749276445749
Energy: 0.5619002450568394
Energy: 0.5593985263434724
Energy: 0.5699646874848976
Energy: 0.5405331545961023
Energy: 0.5699646874848976
Energy: 0.5349390739316372
Energy: 0.5539277707133682
Energy: 0.5540882515522036
Energy: 0.5539277707133682
Energy: 0.543163878283991
Energy: 0.5730572093383671
Energy: 0.5444401092167802
Energy: 0.5730572093383671
Energy: 0.5448667429341674
Energy: 0.5683487874233798
Energy: 0.5666116133929788
Energy: 0.5683487874227721
Energy: 0.53903611016444
Energy: 0.6259186635259979
Energy: 0.5355935592948923
Energy: 0.6259186635259979
Energy: 0.5610402682960536
Energy: 0.5521703900384353
Energy: 0.5395187223677286
Energy: 0.5521703900384353
Energy: 0.5243317136414792
Energy: 0.5659048224507599
Energy: 0.5367819369396041
Energy: 0.5659048224507599
Energy: 0.5442265393292103
Energy: 0.5507530571841271
Energy: 0.5627738602879017
Energy: 0.5507530571853425
Energy: 0.5396714039118654
Energy: 0.5532119294292808
Energy: 0.5247995106855058
Energy: 0.553211929428673
Energy: 0.5360013594292867
Energy: 0.5680734846496435
Energy: 0.5442174811380432
Energy: 0.568073484650251
Energy: 0.5735608520814902
Energy: 0.5658415153004897
Energy: 0.5443231772140423
Energy: 0.5658415153004897
Energy: 0.5395225783503149
Energy: 0.5541758228697905
Energy: 0.5610943774738512
Energy: 0.5541758228697905
Energy: 0.5519896393393555
Energy: 0.5620148977481451
Energy: 0.5429583705702672
Energy: 0.5620148977481451
Energy: 0.5568877072917328
Energy: 0.5668454605854225
Energy: 0.5485261972802321
Energy: 0.5668454605854225
Energy: 0.5559288542851991
Energy: 0.5619160092916992
Energy: 0.5521707265507546
Energy: 0.5619160092910914
Energy: 0.5534663515884214
Energy: 0.5538409690972466
Energy: 0.534041312197801
Energy: 0.5538409690972466
Energy: 0.5406214662536245
Energy: 0.5624082948201629
Energy: 0.5727068206227433
Energy: 0.5624082948201629
Energy: 0.5508900347372532
Energy: 0.5641769802787184
Energy: 0.5457443348141631
Energy: 0.5641769802787184
Energy: 0.5515941421623812
Energy: 0.62530658918242
Energy: 0.5451513994638844
Energy: 0.62530658918242
Energy: 0.5402239649009966
Energy: 0.553817457201927
Energy: 0.5294684069941068
Energy: 0.5538174572013194
Energy: 0.5443537585423777
Energy: 0.6362572479574438
Energy: 0.5519754245009654
Energy: 0.6362572479580514
Energy: 0.5526299250983497
Energy: 0.5683356909327146
Energy: 0.5340188879616462
Energy: 0.5683356909333224
Energy: 0.5483540037518422
Energy: 0.5535454631777318
Energy: 0.5390357238197104
Energy: 0.5535454631777318
Energy: 0.5395337515532364
Energy: 0.6277369019240815
Energy: 0.5617372801612543
Energy: 0.6277369019240815
Energy: 0.5467773362503687
Energy: 0.565780463158941
Energy: 0.5451754044153706
Energy: 0.5657804631583333
Energy: 0.5424603863662462
Energy: 0.6220209722309235
Energy: 0.5442871048495238
Energy: 0.6220209722309235
Energy: 0.5360290302345199
Energy: 0.5521740342594145
Energy: 0.5596290243184726
Energy: 0.5521740342594145
Energy: 0.5589409726304176
Energy: 0.567824937889805
Energy: 0.5511717600002897
Energy: 0.567824937889805
Energy: 0.570950078619743
Energy: 0.5624324185271496
Energy: 0.5760312935216928
Energy: 0.562432418526542
Energy: 0.5546083947957551
Energy: 0.5601862935600842
Energy: 0.5394438619221944
Energy: 0.5601862935594765
Energy: 0.54609686768578
Energy: 0.556314902140708
Energy: 0.5521588947206135
Energy: 0.556314902140708
Energy: 0.544725757705444
Energy: 0.5744435474051247
Energy: 0.5460578557097692
Energy: 0.5744435474051247

minimum gb energy = 0.5243317136414792 eV
minimum distance =  2.57511081079479 Angstroms
sigma value = 1


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

Energy: 0.5946216226166408
Energy: 0.6039528539955776
Energy: 0.644816326621401
Energy: 0.6039528539948847
Energy: 0.574740046576331
Energy: 0.5950357133894338
Energy: 0.5582680503938852
Energy: 0.595035713388741
Energy: 0.5695430004865115
Energy: 0.6069436770175995
Energy: 0.5691151676945884
Energy: 0.6069436770182924
Energy: 0.5601190980446938
Energy: 0.6036278977289388
Energy: 0.5582133851022888
Energy: 0.6036278977261675
Energy: 0.5602396808549942
Energy: 0.5898777949531862
Energy: 0.5741170738379086
Energy: 0.5898777949545718
Energy: 0.6032652379499862
Energy: 0.5913647326992011
Energy: 0.554997217154009
Energy: 0.5913647326985083
Energy: 0.5748481964866172
Energy: 0.6363162186834224
Energy: 0.5648372864036124
Energy: 0.6363162186834224
Energy: 0.5457426349455822
Energy: 0.6050405368441142
Energy: 0.5626084342186871
Energy: 0.6050405368434213
Energy: 0.5598099283555259
Energy: 0.6710981079395801
Energy: 0.5475204625149961
Energy: 0.6710981079381945
Energy: 0.5654159075644226
Energy: 0.6050702168013855
Energy: 0.556746111550416
Energy: 0.6050702168006927
Energy: 0.5747757001427579
Energy: 0.5856208790166705
Energy: 0.560485727729048
Energy: 0.5856208790166705
Energy: 0.5524815660793466
Energy: 0.5963035482494817
Energy: 0.5900833945032452
Energy: 0.5963035482494817
Energy: 0.5803907251493207
Energy: 0.5875529940979914
Energy: 0.5669912511068312
Energy: 0.5875529940972986
Energy: 0.5798335586562403
Energy: 0.5875442604900477
Energy: 0.5681875325531592
Energy: 0.5875442604914334
Energy: 0.5525145631563603
Energy: 0.5963019729824542
Energy: 0.5692143633383285
Energy: 0.5963019729824542
Energy: 0.5748341006628276
Energy: 0.5858769495378571
Energy: 0.5582147507418695
Energy: 0.5858769495364714
Energy: 0.5652372770856607
Energy: 0.606284206483363
Energy: 0.5596942460052049
Energy: 0.606284206483363
Energy: 0.5598192238780877
Energy: 0.671107573283317
Energy: 0.547563191521811
Energy: 0.67110757328401
Energy: 0.54572756419541
Energy: 0.6049107014428511
Energy: 0.5610102139235804
Energy: 0.6049107014421583
Energy: 0.5747104664504171
Energy: 0.6363705666166224
Energy: 0.5586007318711204
Energy: 0.6363705666166224
Energy: 0.6033167714555573
Energy: 0.5898346004372205
Energy: 0.5537468190769462
Energy: 0.5898346004386061
Energy: 0.5600006523647696
Energy: 0.5898669860717337
Energy: 0.5549124905507311
Energy: 0.589866986070348
Energy: 0.5602079961348514
Energy: 0.6035883014776714
Energy: 0.558309303221969
Energy: 0.603588301475593
Energy: 0.5696451915003109
Energy: 0.6068262774581727
Energy: 0.5692275177040237
Energy: 0.6068262774581727
Energy: 0.5748033993129729
Energy: 0.5942793743182084
Energy: 0.5582295881761475
Energy: 0.5942793743175154
Energy: 0.5946216226173335
Energy: 0.6039528539955776
Energy: 0.6236486864777663
Energy: 0.6039528539948847
Energy: 0.574740046576331
Energy: 0.5950357133901266
Energy: 0.5582680503924995
Energy: 0.5950357133880482
Energy: 0.5695430004865115
Energy: 0.6069436770175995
Energy: 0.5784707072783885
Energy: 0.6069436770182924
Energy: 0.5601190980440011
Energy: 0.6036278977282459
Energy: 0.5584189942171901
Energy: 0.6036278977261675

minimum gb energy = 0.54572756419541 eV
minimum distance =  2.52408744001799 Angstroms
sigma value = 25


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

Energy: 0.6085065449788345
Energy: 0.6264354694370786
Energy: 0.7148050020989551
Energy: 0.6264354694370786
Energy: 0.5801233698027857
Energy: 0.6274961828452565
Energy: 0.5876984486329511
Energy: 0.6274961828452565
Energy: 0.578512352130609
Energy: 0.6524334897653914
Energy: 0.5884709273045743
Energy: 0.652433489764586
Energy: 0.5878657422259512
Energy: 0.6441161658242668
Energy: 0.5789774120045161
Energy: 0.6441161658242668
Energy: 0.5809770508890975
Energy: 0.6284415677639035
Energy: 0.5821400814061272
Energy: 0.6284415677639035
Energy: 0.634527464208583
Energy: 0.6534183289832681
Energy: 0.5929806685492928
Energy: 0.6534183289832681
Energy: 0.5788290330709132
Energy: 0.6756350773616964
Energy: 0.5935121545627711
Energy: 0.6756350773616964
Energy: 0.6814432265393795
Energy: 0.6281444300586735
Energy: 0.5708712821220904
Energy: 0.6281444300594788
Energy: 0.5936086849082459
Energy: 0.609341288393514
Energy: 0.5787039687614277
Energy: 0.6093412883927086
Energy: 0.5978931577372124
Energy: 0.6533723869403563
Energy: 0.5761359158253411
Energy: 0.653372386939551
Energy: 0.5938814627044043
Energy: 0.6256997348653471
Energy: 0.5857153846638443
Energy: 0.6256997348653471
Energy: 0.5709522499403641
Energy: 0.6265286133825939
Energy: 0.5856301140062403
Energy: 0.6265286133825939
Energy: 0.5884836096710367
Energy: 0.6452470707100944
Energy: 0.5758400181017245
Energy: 0.6452470707100944
Energy: 0.5938452322584041
Energy: 0.6405430539260117
Energy: 0.5803508287696718
Energy: 0.6405430539260117
Energy: 0.5844440050188209
Energy: 0.6287147611727516
Energy: 0.5699502995977308
Energy: 0.6287147611727516
Energy: 0.5785733679119414
Energy: 0.5892707783342336
Energy: 0.5808753424999559
Energy: 0.5892707783334283
Energy: 0.569626774563031
Energy: 0.6524896135267799
Energy: 0.5670821995740865
Energy: 0.6524896135267799
Energy: 0.5789398074381983
Energy: 0.6152751932357521
Energy: 0.5804601038252992
Energy: 0.6152751932357521
Energy: 0.5775263585507205
Energy: 0.6450863566840939
Energy: 0.5811301157475715
Energy: 0.6450863566840939
Energy: 0.5930401172151093
Energy: 0.6545079727774946
Energy: 0.5862244939569985
Energy: 0.6545079727774946
Energy: 0.5912542877765935
Energy: 0.6272962603489975
Energy: 0.585725528887524
Energy: 0.627296260349803
Energy: 0.6093918896795532
Energy: 0.6276199946782556
Energy: 0.6363522780281999
Energy: 0.6276199946782556
Energy: 0.578770211126854
Energy: 0.6150810653468919
Energy: 0.586208793244401
Energy: 0.6150810653468919
Energy: 0.5818498244547992
Energy: 0.6518110829914878
Energy: 0.5968861803437319
Energy: 0.6518110829914878
Energy: 0.585950347285356
Energy: 0.6244397816443369
Energy: 0.5788390357183375
Energy: 0.6244397816443369

minimum gb energy = 0.5670821995740865 eV
minimum distance =  2.52529787445462 Angstroms
sigma value = 9


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

Energy: 0.6160970313582628
Energy: 0.6828281357411792
Energy: 0.7739243251202533
Energy: 0.6828281357411792
Energy: 0.6073135699950643
Energy: 0.6472282471539846
Energy: 0.5971584734176038
Energy: 0.6472282471539846
Energy: 0.5906508857757362
Energy: 0.6856681043067865
Energy: 0.597218819402351
Energy: 0.6856681043067865
Energy: 0.5967028739959404
Energy: 0.7000636048069675
Energy: 0.5960967710057211
Energy: 0.7000636048069675
Energy: 0.6630929949529177
Energy: 0.644490485967174
Energy: 0.5975595086710387
Energy: 0.644490485967174
Energy: 0.5843595033810004
Energy: 0.686155255118389
Energy: 0.5979210309439689
Energy: 0.686155255118389
Energy: 0.5963927252980905
Energy: 0.5949893470608604
Energy: 0.5954742617942019
Energy: 0.5949893470608604
Energy: 0.6590702934022142
Energy: 0.6860403477240623
Energy: 0.5935829812816122
Energy: 0.6860403477240623
Energy: 0.5963815675895237
Energy: 0.647030426293904
Energy: 0.5974671447833588
Energy: 0.647030426293904
Energy: 0.5965449562127827
Energy: 0.6819620063136362
Energy: 0.5980980214921184
Energy: 0.6819620063136362
Energy: 0.5890902895636625
Energy: 0.6722616702141752
Energy: 0.6038949944880847
Energy: 0.6722616702132145
Energy: 0.5968908859722961
Energy: 0.6551104041325606
Energy: 0.5960444473953405
Energy: 0.6551104041315997
Energy: 0.5843461256974459
Energy: 0.6859134012297938
Energy: 0.6181041435642619
Energy: 0.6859134012297938
Energy: 0.6235815433848544
Energy: 0.6010189487394814
Energy: 0.5971768053576793
Energy: 0.6010189487394814
Energy: 0.584356414901646
Energy: 0.6857426222601917
Energy: 0.6578232918176358
Energy: 0.6857426222592308
Energy: 0.5967939746467281
Energy: 0.6547227926079566
Energy: 0.5961009366221116
Energy: 0.6547227926069957
Energy: 0.5890948903368796
Energy: 0.6722247664109801
Energy: 0.5972078096540377
Energy: 0.6722247664119407
Energy: 0.5966156783409124
Energy: 0.6819301779870448
Energy: 0.5981565112514136
Energy: 0.6819301779870448
Energy: 0.5963693584161808
Energy: 0.6470631067315632
Energy: 0.5974968335994049
Energy: 0.6470631067315632
Energy: 0.659054700961293
Energy: 0.6860256170861321
Energy: 0.5935118665298983
Energy: 0.6860256170851712
Energy: 0.5963855868456488
Energy: 0.5949201660651583
Energy: 0.5955632185888434
Energy: 0.594920166066119

minimum gb energy = 0.5843461256974459 eV
minimum distance =  2.65167088591594 Angstroms
sigma value = 25


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

Energy: 0.6039878852994812
Energy: 0.7081761187749973
Energy: 0.688641238708599
Energy: 0.7081761187761855
Energy: 0.5929627019266781
Energy: 0.6013761974282309
Energy: 0.5880153715121499
Energy: 0.6013761974258546
Energy: 0.5880579849260974
Energy: 0.6577239773715359
Energy: 0.5951274753595851
Energy: 0.6577239773679713
Energy: 0.6032266942334478
Energy: 0.658548442751931
Energy: 0.6778239173879538
Energy: 0.658548442751931
Energy: 0.678853846661119
Energy: 0.5928457630832641
Energy: 0.6122715961972157
Energy: 0.5928457630832641
Energy: 0.5903529533640657
Energy: 0.7330800352725909
Energy: 0.5886932598413647
Energy: 0.7330800352725909
Energy: 0.587971913387698
Energy: 0.657126289999036
Energy: 0.5876500694578288
Energy: 0.657126289999036
Energy: 0.6707601676784484
Energy: 0.7087528602758421
Energy: 0.6031838837309009
Energy: 0.7087528602758421
Energy: 0.5950345643731448
Energy: 0.6597789764937942
Energy: 0.5931168427277672
Energy: 0.6597789764949826
Energy: 0.6898702819656685
Energy: 0.6733594759405022
Energy: 0.5902715050925107
Energy: 0.6733594759405022
Energy: 0.5945324576722096
Energy: 0.7081473042055866
Energy: 0.7577218090832882
Energy: 0.7081473042055866
Energy: 0.5881550945788331
Energy: 0.6073637598468565
Energy: 0.6902851543244488
Energy: 0.6073637598468565
Energy: 0.679878048092656
Energy: 0.672984186509387
Energy: 0.5876118337320313
Energy: 0.672984186509387
Energy: 0.587839245884111
Energy: 0.6630660194848659
Energy: 0.6034961027243839
Energy: 0.6630660194848659
Energy: 0.5878786935994471
Energy: 0.7077622059979116
Energy: 0.6710266475719137
Energy: 0.7077622059979116
Energy: 0.5952490767641206
Energy: 0.6731069200337086
Energy: 0.5903641597304861
Energy: 0.6731069200337086
Energy: 0.5950825621229799
Energy: 0.6258642364947448
Energy: 0.6892476311043491
Energy: 0.6258642364947448

minimum gb energy = 0.5876118337320313 eV
minimum distance =  2.61373551773212 Angstroms
sigma value = 17


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

Energy: 0.6591179362831029
Energy: 0.6599105614866076
Energy: 0.8189717252868413
Energy: 0.6599105614866076
Energy: 0.6848432346355509
Energy: 0.6292039100679458
Energy: 0.6006749242234491
Energy: 0.6292039100672729
Energy: 0.6905034895146936
Energy: 0.6579650577500231
Energy: 0.6043731022089966
Energy: 0.6579650577500231
Energy: 0.5998928761953002
Energy: 0.6053138213524597
Energy: 0.6497001342637707
Energy: 0.6053138213531327
Energy: 0.7024158893146096
Energy: 0.6746637206760001
Energy: 0.6009225328355887
Energy: 0.6746637206760001
Energy: 0.6045112261375637
Energy: 0.613159552616815
Energy: 0.6856504669206462
Energy: 0.613159552616815
Energy: 0.6014409462883659
Energy: 0.6547529693024623
Energy: 0.6045934839333567
Energy: 0.6547529693017894
Energy: 0.6844146505535428
Energy: 0.6044741484250763
Energy: 0.6063417017545587
Energy: 0.6044741484244034
Energy: 0.6047816931424136
Energy: 0.676833213148323
Energy: 0.6943643188807835
Energy: 0.676833213148323
Energy: 0.7459318411004393
Energy: 0.6348464773221224
Energy: 0.6027759115985779
Energy: 0.6348464773221224
Energy: 0.600598518514719
Energy: 0.6053848912186622
Energy: 0.6919406691194475
Energy: 0.6053848912179894
Energy: 0.6052262912821506
Energy: 0.652334460394818
Energy: 0.6053017143187283
Energy: 0.652334460394818
Energy: 0.6857401747834981
Energy: 0.6058733983071257
Energy: 0.6047209672426522
Energy: 0.6058733983077987
Energy: 0.6025967375395315
Energy: 0.7092255150554003
Energy: 0.6846784971643366
Energy: 0.7092255150547273
Energy: 0.6521928466048521
Energy: 0.6545831258116014
Energy: 0.6053940456095582
Energy: 0.6545831258116014
Energy: 0.6849890734301537
Energy: 0.6048961243547553
Energy: 0.6997899289509877
Energy: 0.6048961243547553
Energy: 0.604597859887317
Energy: 0.6427028961121859
Energy: 0.6977802438436395
Energy: 0.6427028961121859
Energy: 0.6835026235491177
Energy: 0.6576364018484738
Energy: 0.6043165574911066
Energy: 0.6576364018484738
Energy: 0.6009770920525498
Energy: 0.6583983162835552
Energy: 0.6455128835499009
Energy: 0.6583983162835552
Energy: 0.6005899222659442
Energy: 0.6050275962038917
Energy: 0.6000895550341386
Energy: 0.6050275962032188
Energy: 0.6491262546574116
Energy: 0.6582459013819576
Energy: 0.690802749181214
Energy: 0.6582459013819576
Energy: 0.6016829548888699
Energy: 0.6885821124247707
Energy: 0.7454794749484248
Energy: 0.6885821124254438
Energy: 0.6806922312098624
Energy: 0.6597280442895354
Energy: 0.5988387672392567
Energy: 0.6597280442895354
Energy: 0.6038273134928852
Energy: 0.656197121326755
Energy: 0.6834250684954719
Energy: 0.656197121327428
Energy: 0.6039405568718225
Energy: 0.6579355312741031
Energy: 0.6818747974499231
Energy: 0.6579355312741031
Energy: 0.6964413463968719
Energy: 0.6046663441109645
Energy: 0.5994987557079411
Energy: 0.6046663441109645
Energy: 0.6072651273772051
Energy: 0.6891544520083827
Energy: 0.7583182600704504
Energy: 0.6891544520083827
Energy: 0.6862132682402969
Energy: 0.6131284311994829
Energy: 0.6914218872340137
Energy: 0.6131284311981371
Energy: 0.7282072423970408
Energy: 0.6061688818350601
Energy: 0.6012882445700694
Energy: 0.6061688818330413
Energy: 0.6046788179542907
Energy: 0.677823913405936
Energy: 0.6853423070915957
Energy: 0.6778239134066087

minimum gb energy = 0.5988387672392567 eV
minimum distance =  2.49949548387061 Angstroms
sigma value = 53


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

Energy: 0.552131238542358
Energy: 0.5523133725482886
Energy: 0.8565293428497116
Energy: 0.5523133725482886
Energy: 0.672588195656214
Energy: 0.600799300208875
Energy: 0.64645994840367
Energy: 0.600799300208875
Energy: 0.5528931346942368
Energy: 0.5526495171734792
Energy: 0.6403715466337524
Energy: 0.5526495171734792
Energy: 0.5527968938897341
Energy: 0.5526740931148109
Energy: 0.573912649225671
Energy: 0.5526740931148109
Energy: 0.6726414152480114
Energy: 0.6007921451996183
Energy: 0.6578727139637472
Energy: 0.6007921452011676
Energy: 0.552131238542358
Energy: 0.5523133725482886
Energy: 0.9075308943739999
Energy: 0.5523133725482886
Energy: 0.672588195656214
Energy: 0.600799300208875
Energy: 0.6670623394587947
Energy: 0.600799300208875
Energy: 0.5528931346942368
Energy: 0.5526495171734792
Energy: 0.6403715466337524
Energy: 0.5526495171734792
Energy: 0.5527968938897341
Energy: 0.5526740931148109
Energy: 0.6476935981274506
Energy: 0.5526740931148109
Energy: 0.6726414152480114
Energy: 0.6007921452011676
Energy: 0.647086274471074
Energy: 0.6007921452011676
Energy: 0.552131238542358
Energy: 0.5523133725482886
Energy: 0.7696190481267218
Energy: 0.5523133725482886
Energy: 0.6725881956546647
Energy: 0.600799300208875
Energy: 0.6670623394587947
Energy: 0.600799300208875
Energy: 0.5528931346942368
Energy: 0.5526495171734792
Energy: 0.6670686258022993
Energy: 0.5526495171734792

minimum gb energy = 0.552131238542358 eV
minimum distance =  2.60636421589237 Angstroms
sigma value = 9


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

Energy: 0.6202504562154125
Energy: 0.6289962231762944
Energy: 0.8284205395147043
Energy: 0.6289962231768679
Energy: 0.7513637473866209
Energy: 0.6502796699241887
Energy: 0.6342996675543837
Energy: 0.6502796699241887
Energy: 0.6278176529979743
Energy: 0.6144939571402886
Energy: 0.6377727426780647
Energy: 0.614493957140862
Energy: 0.7029353884763473
Energy: 0.730375429573266
Energy: 0.6352692110240783
Energy: 0.730375429573266
Energy: 0.6925506032308395
Energy: 0.6414774277023695
Energy: 0.6329995940353818
Energy: 0.6414774277029429
Energy: 0.6142701104205738
Energy: 0.6140549538603546
Energy: 0.7254390201428226
Energy: 0.6140549538603546
Energy: 0.8224328603614688
Energy: 0.6383402157378492
Energy: 0.6348997294011275
Energy: 0.6383402157372756
Energy: 0.6296669573838706
Energy: 0.683339682879916
Energy: 0.6880222630135493
Energy: 0.683339682879916
Energy: 0.629351532906624
Energy: 0.7319098043795603
Energy: 0.6216566041829802
Energy: 0.7319098043801336
Energy: 0.6273353466671198
Energy: 0.6428071275174093
Energy: 0.6284871865445375
Energy: 0.6428071275174093
Energy: 0.6334902573420529
Energy: 0.723714765033786
Energy: 0.7906319642572481
Energy: 0.723714765033786
Energy: 0.6891465817481501
Energy: 0.7603341406113535
Energy: 0.6351338689774259
Energy: 0.7603341406113535
Energy: 0.6306527578104544
Energy: 0.6795010830356031
Energy: 0.7292720919655826
Energy: 0.6795010830361764
Energy: 0.7244207440868223
Energy: 0.723872007278832
Energy: 0.6246659950886997
Energy: 0.7238720072782586
Energy: 0.6351449055841755
Energy: 0.6885779772420274
Energy: 0.6492719874034769
Energy: 0.6885779772426008
Energy: 0.6355374613030244
Energy: 0.7323757727032059
Energy: 0.7134746254893718
Energy: 0.7323757727032059
Energy: 0.6507774256088943
Energy: 0.6885722865202247
Energy: 0.6316122435612844
Energy: 0.6885722865207982
Energy: 0.6344568907581134
Energy: 0.638559161586752
Energy: 0.719867060036757
Energy: 0.638559161586752
Energy: 0.6995514536979163
Energy: 0.6797280707432997
Energy: 0.6158860715891998
Energy: 0.6797280707432997
Energy: 0.6360004928155744
Energy: 0.6496704371876693
Energy: 0.6957920450795186
Energy: 0.6496704371870959
Energy: 0.686181524952601
Energy: 0.7257675620400982
Energy: 0.6890686702706944
Energy: 0.7257675620400982
Energy: 0.6528877834064979
Energy: 0.6823465153309778
Energy: 0.6298528168262055
Energy: 0.6823465153315511
Energy: 0.6219383708643856
Energy: 0.679041155908845
Energy: 0.6316070213132999
Energy: 0.6790411559082716
Energy: 0.7815870722549583
Energy: 0.6838060644811447
Energy: 0.6300342289180634
Energy: 0.6838060644817181
Energy: 0.6348662461100877
Energy: 0.7602026457492739
Energy: 0.7806142708586962
Energy: 0.7602026457487006
Energy: 0.6802265221018857
Energy: 0.6147859881249039
Energy: 0.6294538899895658
Energy: 0.6147859881254772
Energy: 0.6459510145965077
Energy: 0.6532261203905982
Energy: 0.7081992694809468
Energy: 0.6532261203905982
Energy: 0.6295394619215902
Energy: 0.7221380152132724
Energy: 0.7224592432588521
Energy: 0.7221380152132724
Energy: 0.6771589594056648
Energy: 0.6144314821089025
Energy: 0.6285430189044977
Energy: 0.6144314821083291
Energy: 0.6341448864615339
Energy: 0.7903404057190323
Energy: 0.7812187307386573
Energy: 0.7903404057190323
Energy: 0.7779462758487085
Energy: 0.7275098767117816
Energy: 0.6290898099901988
Energy: 0.727509876712355
Energy: 0.6250491769900184
Energy: 0.6430617918448824
Energy: 0.6295120851941916
Energy: 0.6430617918448824
Energy: 0.6272594716142116
Energy: 0.6818165127165695
Energy: 0.6281449972498814
Energy: 0.6818165127171428
Energy: 0.6856908906774332
Energy: 0.7232343395564832
Energy: 0.7139436337407241
Energy: 0.7232343395564832
Energy: 0.6449307406940021
Energy: 0.6920922717701739
Energy: 0.8215764512038093
Energy: 0.6920922717701739

minimum gb energy = 0.6140549538603546 eV
minimum distance =  2.55596917796436 Angstroms
sigma value = 73


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

Energy: 0.6637546663056999
Energy: 0.626029715343609
Energy: 0.8383135063191423
Energy: 0.626029715343609
Energy: 0.635434194264987
Energy: 0.6565404370727637
Energy: 0.6290799847440639
Energy: 0.6565404370727637
Energy: 0.6341311635642058
Energy: 0.6299923678110927
Energy: 0.6198428617374039
Energy: 0.6299923678101831
Energy: 0.6397546944639033
Energy: 0.6282377176323068
Energy: 0.6444490839214744
Energy: 0.6282377176323068
Energy: 0.6554110531007262
Energy: 0.6589282690426282
Energy: 0.6199945367057894
Energy: 0.658928269043538
Energy: 0.6374128768288108
Energy: 0.621069252003735
Energy: 0.7849474651861034
Energy: 0.621069252002825
Energy: 0.7625370625946956
Energy: 0.7054547399817046
Energy: 0.6392429070274168
Energy: 0.7054547399817046
Energy: 0.6327316346866364
Energy: 0.614709379995242
Energy: 0.6948175988052245
Energy: 0.614709379995242
Energy: 0.8404970876768841
Energy: 0.6164395632847313
Energy: 0.6169701712579585
Energy: 0.6164395632838214
Energy: 0.6276801426121603
Energy: 0.6599541426866593
Energy: 0.6169174211304151
Energy: 0.6599541426857496
Energy: 0.6290068238741554
Energy: 0.6166352896498053
Energy: 0.7694320973033336
Energy: 0.6166352896498053
Energy: 0.6758335525060813
Energy: 0.625687778742864
Energy: 0.6399104654891506
Energy: 0.625687778742864
Energy: 0.6317046486262797
Energy: 0.6496099950053942
Energy: 0.7291114756811438
Energy: 0.6496099950053942
Energy: 0.7818069988959807
Energy: 0.6862932771559395
Energy: 0.6401658225172255
Energy: 0.6862932771550296
Energy: 0.6340826045196256
Energy: 0.6652986904897414
Energy: 0.73480170672746
Energy: 0.6652986904897414
Energy: 0.7718689108687129
Energy: 0.6158963221976469
Energy: 0.633967663184822
Energy: 0.6158963221976469
Energy: 0.6675344431618929
Energy: 0.6792240432715443
Energy: 0.6342861061858671
Energy: 0.6792240432715443
Energy: 0.6663347199717327
Energy: 0.6793556384734841
Energy: 0.6409637995920903
Energy: 0.6793556384725745
Energy: 0.7131009542262253
Energy: 0.6145715968789155
Energy: 0.6325610165518681
Energy: 0.6145715968780057
Energy: 0.636196301057099
Energy: 0.6652523132001359
Energy: 0.8006321588727244
Energy: 0.6652523131992262
Energy: 0.7705117426278352
Energy: 0.6209534616394428
Energy: 0.6382522009804835
Energy: 0.6209534616403525
Energy: 0.6443284281039287
Energy: 0.6556782188859491
Energy: 0.7120681785302697
Energy: 0.6556782188859491

minimum gb energy = 0.6145715968780057 eV
minimum distance =  2.55238642001805 Angstroms
sigma value = 7


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

Energy: 0.6312276247767321
Energy: 0.6309254118158936
Energy: 0.8248427032149208
Energy: 0.6309254118158936
Energy: 0.7486475218907284
Energy: 0.6545115307593008
Energy: 0.6188352208004965
Energy: 0.6545115307593008
Energy: 0.62457846446941
Energy: 0.6313810455193664
Energy: 0.6420450565051753
Energy: 0.6313810455193664
Energy: 0.656576376147828
Energy: 0.6603069049477159
Energy: 0.6282548036888506
Energy: 0.6603069049496457
Energy: 0.6249045965976049
Energy: 0.6494674921748318
Energy: 0.6292434519912857
Energy: 0.6494674921735453
Energy: 0.6251603940804356
Energy: 0.6321688053052696
Energy: 0.787348239865225
Energy: 0.6321688053071995
Energy: 0.7317507255102751
Energy: 0.692389706589353
Energy: 0.6459930879399853
Energy: 0.6923897065880663
Energy: 0.6250344129320383
Energy: 0.631453140687134
Energy: 0.8275050215134583
Energy: 0.631453140687134
Energy: 0.7056367497869314
Energy: 0.6557981223453213
Energy: 0.6269502481735781
Energy: 0.6557981223472513
Energy: 0.6247888281840249
Energy: 0.665679432307818
Energy: 0.7027512482722752
Energy: 0.6656794323084613
Energy: 0.6561281914665211
Energy: 0.7085284669710818
Energy: 0.6509093992651374
Energy: 0.7085284669723684
Energy: 0.6310326084746188
Energy: 0.6494581285180503
Energy: 0.655929024449886
Energy: 0.6494581285186936
Energy: 0.6336655500907737
Energy: 0.6323810629257426
Energy: 0.6544730899235071
Energy: 0.632381062926386
Energy: 0.6318021133615558
Energy: 0.6283035775933087
Energy: 0.6441183406185832
Energy: 0.6283035775958818
Energy: 0.6161736136383658
Energy: 0.6601014060755317
Energy: 0.7548094976388533
Energy: 0.6601014060742452
Energy: 0.8261164825075918
Energy: 0.6279603025488861
Energy: 0.6317360083141215
Energy: 0.6279603025488861
Energy: 0.6256987431553921
Energy: 0.6482750847086824
Energy: 0.6983176905572681
Energy: 0.6482750847099691
Energy: 0.6254325054147162
Energy: 0.6255573701652132
Energy: 0.6440121807239092
Energy: 0.6255573701664997
Energy: 0.6257728729908029
Energy: 0.7079899602519414
Energy: 0.651123077982426
Energy: 0.7079899602513273
Energy: 0.6174513334049898
Energy: 0.6528314408146473
Energy: 0.6306699436749601
Energy: 0.652831440814004
Energy: 0.6402600822089315
Energy: 0.7088264079431386
Energy: 0.6269734832224009
Energy: 0.7088264079418521
Energy: 0.6247571716983065
Energy: 0.6319394154936946
Energy: 0.6444408499462015
Energy: 0.6319394154936946
Energy: 0.7954507799993535
Energy: 0.6563342579990779
Energy: 0.6338520215310223
Energy: 0.6563342579984346
Energy: 0.6314589673388181
Energy: 0.6312553392286091
Energy: 0.8159560393529391
Energy: 0.6312553392286091
Energy: 0.6317495307701905
Energy: 0.6524314907720292
Energy: 0.6340858479713188
Energy: 0.652431490771386
Energy: 0.6416337337949193
Energy: 0.6586231874306855
Energy: 0.6492784600763059
Energy: 0.6586231874287555
Energy: 0.6251189346917604
Energy: 0.6626336769675019
Energy: 0.6259194818619777
Energy: 0.6626336769694315
Energy: 0.6722243772229358
Energy: 0.6485726978360695
Energy: 0.6283023781507575
Energy: 0.6485726978360695
Energy: 0.6286924504671714
Energy: 0.6310502822472293
Energy: 0.6971126914080534
Energy: 0.6310502822504164
Energy: 0.6826012940074345
Energy: 0.6448200809875315
Energy: 0.6388019382337057
Energy: 0.6448200809849584
Energy: 0.6286964428137932
Energy: 0.6312231260986974
Energy: 0.7576521807093495
Energy: 0.6312231260993406

minimum gb energy = 0.6161736136383658 eV
minimum distance =  2.53745337375134 Angstroms
sigma value = 29


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

Energy: 0.5941104484991893
Energy: 0.5811037951039807
Energy: 0.666670425299859
Energy: 0.5811037951044288
Energy: 0.6589211971792344
Energy: 0.5720893455270782
Energy: 0.5727800583159551
Energy: 0.5720893455270782
Energy: 0.6268122499308447
Energy: 0.6092017673974046
Energy: 0.6583814651991551
Energy: 0.6092017673969813
Energy: 0.5937774545378086
Energy: 0.5944522997817132
Energy: 0.6694065634345404
Energy: 0.5944522997819373
Energy: 0.5942590946359789
Energy: 0.5924001415362952
Energy: 0.6590833046960355
Energy: 0.5924001415362952
Energy: 0.581128342998493
Energy: 0.6092392142977308
Energy: 0.5811420541782291
Energy: 0.6092392142979549
Energy: 0.5654150260476641
Energy: 0.5925394210066691
Energy: 0.5942588432774373
Energy: 0.5925394210066691
Energy: 0.6694642825050144
Energy: 0.5946886441129734
Energy: 0.5937456731246321
Energy: 0.5946886441129734
Energy: 0.6585303116316408
Energy: 0.6091905497992606
Energy: 0.6044751182486564
Energy: 0.6091905497992606

minimum gb energy = 0.5654150260476641 eV
minimum distance =  2.59974039779618 Angstroms
sigma value = 5


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

Energy: 0.5939999474852699
Energy: 0.5917389878281009
Energy: 0.7122738061332783
Energy: 0.5917389878281009
Energy: 0.602142607156386
Energy: 0.5866197755864926
Energy: 0.5913647447902781
Energy: 0.5866197755864926
Energy: 0.5821382951155558
Energy: 0.5877601838903475
Energy: 0.6957947965117012
Energy: 0.5877601838903475
Energy: 0.5963374457220745
Energy: 0.6143878674321588
Energy: 0.5849573790122593
Energy: 0.6143878674321588
Energy: 0.5862979507908358
Energy: 0.6173629028041117
Energy: 0.63897906660997
Energy: 0.6173629028035041
Energy: 0.6176988734437798
Energy: 0.5922878729364424
Energy: 0.5811123388313099
Energy: 0.5922878729364424
Energy: 0.5829794414631969
Energy: 0.6157998417823479
Energy: 0.5937041942291484
Energy: 0.6157998417823479
Energy: 0.5805874291073448
Energy: 0.5927897825070446
Energy: 0.5832774229892219
Energy: 0.5927897825076521
Energy: 0.5864281329733888
Energy: 0.6161498717768851
Energy: 0.5889699271158099
Energy: 0.6161498717768851
Energy: 0.5831071391115785
Energy: 0.616158599368304
Energy: 0.6030463186735063
Energy: 0.616158599368304
Energy: 0.5814611285520832
Energy: 0.615132841350113
Energy: 0.5881699320367966
Energy: 0.6151328413507207
Energy: 0.5880148153654863
Energy: 0.6182465990083053
Energy: 0.5932061474829984
Energy: 0.6182465990083053
Energy: 0.6187355868608971
Energy: 0.5919170118185502
Energy: 0.5938921727472732
Energy: 0.5919170118185502
Energy: 0.5920073807828339
Energy: 0.5929442988981959
Energy: 0.603949268838503
Energy: 0.5929442988981959
Energy: 0.7254287301040218
Energy: 0.5813845921973679
Energy: 0.5880147478281481
Energy: 0.5813845921973679
Energy: 0.5833494899710574
Energy: 0.5881008927819504
Energy: 0.7024473155488723
Energy: 0.5881008927813427
Energy: 0.6749411257188549
Energy: 0.5885252704568882
Energy: 0.591336165940229
Energy: 0.5885252704562804
Energy: 0.5862501874064036
Energy: 0.5919737275497774
Energy: 0.755036656770286
Energy: 0.5919737275491697
Energy: 0.5926760920187064
Energy: 0.6172635523186049
Energy: 0.583509081847305
Energy: 0.6172635523179972
Energy: 0.5830595859736543
Energy: 0.6451904344509868
Energy: 0.5845367626120698
Energy: 0.6451904344509868
Energy: 0.5930837238027274
Energy: 0.612957681600055
Energy: 0.5870459797671135
Energy: 0.612957681600055
Energy: 0.5941294861459654
Energy: 0.6159319552360687
Energy: 0.5813116764504414
Energy: 0.6159319552360687
Energy: 0.5911436069036625
Energy: 0.5926888962350249
Energy: 0.5968449128676314
Energy: 0.5926888962344171
Energy: 0.5917977942854967
Energy: 0.6175569210764298
Energy: 0.5910527984565254
Energy: 0.6175569210764298
Energy: 0.5973887765907488
Energy: 0.5924764802761182
Energy: 0.5892337754132777
Energy: 0.5924764802755106
Energy: 0.5915512386064238
Energy: 0.5929160379942734
Energy: 0.5862871769889461
Energy: 0.5929160379936658
Energy: 0.5832798599098549
Energy: 0.5788443945552725
Energy: 0.6138567770366053
Energy: 0.5788443945558801
Energy: 0.7095309952017695
Energy: 0.6156299587581918
Energy: 0.5833439737418972
Energy: 0.6156299587575841
Energy: 0.5922538831528118
Energy: 0.5861897865337319
Energy: 0.6243982307488409
Energy: 0.5861897865337319
Energy: 0.7620721375519877
Energy: 0.59187317012034
Energy: 0.5860877978063148
Energy: 0.5918731701221629
Energy: 0.5815753611026457
Energy: 0.5845854095109032
Energy: 0.7408442302543584
Energy: 0.5845854095102955
Energy: 0.6741062890246834
Energy: 0.6161870850825677
Energy: 0.5820284228222306
Energy: 0.6161870850825677
Energy: 0.5851586549089876
Energy: 0.6144249480680886
Energy: 0.5975129203794772
Energy: 0.6144249480680886

minimum gb energy = 0.5788443945552725 eV
minimum distance =  2.52631494179966 Angstroms
sigma value = 1


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

Energy: 0.5658902166875579
Energy: 0.5659601930380731
Energy: 0.7041224212199191
Energy: 0.5659601930380731
Energy: 0.5907033085318039
Energy: 0.5536422609530506
Energy: 0.5660253955552885
Energy: 0.5536422609522104
Energy: 0.5537168083489659
Energy: 0.5663835276480821
Energy: 0.7566826688518992
Energy: 0.5663835276472419
Energy: 0.6760460907175484
Energy: 0.5974833451285618
Energy: 0.558027416282704
Energy: 0.5974833451294019
Energy: 0.553736212449186
Energy: 0.5689083299419654
Energy: 0.6269309069320379
Energy: 0.5689083299419654
Energy: 0.5541810474123682
Energy: 0.5965770353890963
Energy: 0.5582031649665388
Energy: 0.5965770353882561
Energy: 0.5538748876836223
Energy: 0.6083337528646626
Energy: 0.5566961018009936
Energy: 0.6083337528638224
Energy: 0.553846881304992
Energy: 0.566084019910076
Energy: 0.5803565684554526
Energy: 0.566084019910076
Energy: 0.5659682968360902
Energy: 0.5691081758580259
Energy: 0.5892374142225971
Energy: 0.5691081758580259
Energy: 0.5659067520882269
Energy: 0.5691002004371799
Energy: 0.5804996103777598
Energy: 0.5691002004371799
Energy: 0.5538967419157669
Energy: 0.5664758907333891
Energy: 0.5891789681312579
Energy: 0.5664758907333891
Energy: 0.5540040872187706
Energy: 0.6083734831285045
Energy: 0.5567034745482059
Energy: 0.6083734831285045
Energy: 0.5542475335040807
Energy: 0.5974418504886236
Energy: 0.5580278242822336
Energy: 0.5974418504877834
Energy: 0.553706728372846
Energy: 0.568907551834211
Energy: 0.629607593269119
Energy: 0.568907551834211
Energy: 0.6760450549299547
Energy: 0.5974303363999455
Energy: 0.5580331697960695
Energy: 0.5974303363999455
Energy: 0.5537077090850162
Energy: 0.566385187311095
Energy: 0.6191112001032562
Energy: 0.566385187311095
Energy: 0.5907050318581081
Energy: 0.5536493158204906
Energy: 0.5660266492561524
Energy: 0.5536493158196504
Energy: 0.5658902166875579
Energy: 0.5659601930380731
Energy: 0.696547022896725
Energy: 0.5659601930380731
Energy: 0.5907033085301236
Energy: 0.5536422609530506
Energy: 0.5660253955552885
Energy: 0.5536422609530506
Energy: 0.5537168083489659
Energy: 0.5663835276480821
Energy: 0.7566826688518992
Energy: 0.5663835276472419
Energy: 0.6760460907175484
Energy: 0.5974833451285618
Energy: 0.558027416282704
Energy: 0.5974833451285618
Energy: 0.553736212449186
Energy: 0.5689083299419654
Energy: 0.6269309069320379
Energy: 0.5689083299419654
Energy: 0.5541810474123682
Energy: 0.5965770353890963
Energy: 0.5582031649665388
Energy: 0.5965770353882561
Energy: 0.5538748876836223
Energy: 0.6083337528646626
Energy: 0.556696101803514
Energy: 0.6083337528646626

minimum gb energy = 0.5536422609522104 eV
minimum distance =  2.54674131028856 Angstroms
sigma value = 17


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

Energy: 0.5628814600443888
Energy: 0.5630382421565093
Energy: 0.6980322539410541
Energy: 0.5630382421565093
Energy: 0.5924447615355964
Energy: 0.5608546189404985
Energy: 0.556153821089343
Energy: 0.5608546189399793
Energy: 0.5543716354420136
Energy: 0.5569747197637359
Energy: 0.5998065519896324
Energy: 0.5569747197637359
Energy: 0.5875454855878512
Energy: 0.5502643519631857
Energy: 0.5532118481561407
Energy: 0.5502643519631857
Energy: 0.5505854514775133
Energy: 0.5914110264091467
Energy: 0.639715021722972
Energy: 0.5914110264091467
Energy: 0.5672097243430233
Energy: 0.6522145858418905
Energy: 0.5597631464476381
Energy: 0.6522145858413713
Energy: 0.56744941182468
Energy: 0.5826017116823301
Energy: 0.5590692609424491
Energy: 0.5826017116818107
Energy: 0.5495138872633039
Energy: 0.6538095355490348
Energy: 0.5536675321270146
Energy: 0.6538095355490348
Energy: 0.5642940338376333
Energy: 0.657719651164227
Energy: 0.5617961931176871
Energy: 0.657719651164227
Energy: 0.5568710198608705
Energy: 0.5821927526136766
Energy: 0.5547272020738773
Energy: 0.5821927526131573
Energy: 0.557370734416817
Energy: 0.6480180559309997
Energy: 0.5564142652505335
Energy: 0.6480180559309997
Energy: 0.5539207957030071
Energy: 0.581462027462765
Energy: 0.547642284440344
Energy: 0.5814620274638036
Energy: 0.5507768214907712
Energy: 0.6528878115459471
Energy: 0.5558626017028662
Energy: 0.6528878115454276
Energy: 0.5614966644214963
Energy: 0.5907016919469079
Energy: 0.5630815731783659
Energy: 0.5907016919479465
Energy: 0.5564945520685324
Energy: 0.6479865430352375
Energy: 0.568409339658825
Energy: 0.647986543036276
Energy: 0.5575662537362986
Energy: 0.5572909305781423
Energy: 0.640898410881865
Energy: 0.5572909305786616
Energy: 0.5755930282927197
Energy: 0.647417171651576
Energy: 0.5560436669533607
Energy: 0.647417171651576
Energy: 0.5502553385852937
Energy: 0.5631378977982299
Energy: 0.7610981758580151
Energy: 0.5631378977992684
Energy: 0.6046310023982062
Energy: 0.5838619268689874
Energy: 0.5563907740881866
Energy: 0.5838619268684682
Energy: 0.5570269412131807
Energy: 0.5566763868167915
Energy: 0.7098221871379367
Energy: 0.5566763868167915
Energy: 0.5692225491307378
Energy: 0.5562370134081958
Energy: 0.5656973257793201
Energy: 0.5562370134081958
Energy: 0.5660933883631376
Energy: 0.56445551212937
Energy: 0.5699858332270972
Energy: 0.5644555121288507
Energy: 0.5750626894579782
Energy: 0.5561700067226482
Energy: 0.5579661661983264
Energy: 0.5561700067226482
Energy: 0.5567624795726764
Energy: 0.583398876775382
Energy: 0.6444548638311997
Energy: 0.5833988767759014
Energy: 0.684116950861014
Energy: 0.5634058469441879
Energy: 0.5515226695108761
Energy: 0.5634058469441879
Energy: 0.5574668078707017
Energy: 0.5911184887566397
Energy: 0.5550475453182016
Energy: 0.5911184887561204
Energy: 0.6203876892608547
Energy: 0.5793590379500444
Energy: 0.55875970211826
Energy: 0.5793590379500444
Energy: 0.5713494164605368
Energy: 0.6484213978315093
Energy: 0.555642766549266
Energy: 0.6484213978309902
Energy: 0.5630350946008785
Energy: 0.5898319004298728
Energy: 0.563849489182649
Energy: 0.5898319004298728
Energy: 0.5574502700510113
Energy: 0.6535981676876156
Energy: 0.5654022205639725
Energy: 0.6535981676881348
Energy: 0.5548762777447414
Energy: 0.5892113276310113
Energy: 0.5578726201469988
Energy: 0.5892113276310113
Energy: 0.5544379365649837
Energy: 0.6468380442805451
Energy: 0.5552988955777929
Energy: 0.6468380442805451
Energy: 0.5531701327261128
Energy: 0.5826306620295513
Energy: 0.6275458376167411
Energy: 0.5826306620300705
Energy: 0.5769272155977957
Energy: 0.656855228571889
Energy: 0.562383823775936
Energy: 0.6568552285713697
Energy: 0.5531390090412112
Energy: 0.5638074289139328
Energy: 0.5784879477391051
Energy: 0.5638074289154905
Energy: 0.5606273852356722
Energy: 0.5832511209472802
Energy: 0.5681965440507318
Energy: 0.5832511209472802
Energy: 0.5579502074285692
Energy: 0.6517800348031183
Energy: 0.5674092596660667
Energy: 0.6517800348031183
Energy: 0.5770489398536034
Energy: 0.5924064878172468
Energy: 0.5577523223267306
Energy: 0.5924064878188046

minimum gb energy = 0.547642284440344 eV
minimum distance =  2.53467652693544 Angstroms
sigma value = 89


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

Energy: 0.4926239570964879
Energy: 0.49267277128983106
Energy: 0.7148044299121395
Energy: 0.49267277128983106
Energy: 0.4928937372137325
Energy: 0.5088659044143524
Energy: 0.5033439718159652
Energy: 0.5088659044143524
Energy: 0.5014170500896453
Energy: 0.5728502244208907
Energy: 0.49367157294354685
Energy: 0.5728502244208907
Energy: 0.631822745415097
Energy: 0.5088644220851806
Energy: 0.503381291876085
Energy: 0.5088644220851806
Energy: 0.5013953003591485
Energy: 0.4942500075957064
Energy: 0.74042081928248
Energy: 0.4942500075957064
Energy: 0.501522360248629
Energy: 0.49285974004832117
Energy: 0.49497968092608363
Energy: 0.49285974004832117
Energy: 0.5015815107717632
Energy: 0.573069245668934
Energy: 0.4928373512554933
Energy: 0.573069245668934
Energy: 0.505816289615412
Energy: 0.6666485678770006
Energy: 0.503211618637971
Energy: 0.6666485678770006
Energy: 0.5014108958987301
Energy: 0.5322761360074556
Energy: 0.6300446149221742
Energy: 0.5322761360074556
Energy: 0.5092449327156303
Energy: 0.6206230942945783
Energy: 0.5013207794395691
Energy: 0.6206230942945783
Energy: 0.49259220355193084
Energy: 0.5089674984902633
Energy: 0.501355884649899
Energy: 0.5089674984902633
Energy: 0.4926406001645497
Energy: 0.5712876059200881
Energy: 0.5032732167393309
Energy: 0.5712876059200881
Energy: 0.5014030506188217
Energy: 0.5304264826502045
Energy: 0.5043986255118363
Energy: 0.5304264826502045
Energy: 0.5014765257714203
Energy: 0.5300912375966709
Energy: 0.5013644289503146
Energy: 0.5300912375966709
Energy: 0.49550249746278896
Energy: 0.5304559646585175
Energy: 0.501397589946546
Energy: 0.5304559646585175

minimum gb energy = 0.49259220355193084 eV
minimum distance =  2.55613059218873 Angstroms
sigma value = 13


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

Energy: 0.5016768245495481
Energy: 0.4924304071873546
Energy: 0.6491422664446478
Energy: 0.4924304071867851
Energy: 0.5265809704957907
Energy: 0.503309565541001
Energy: 0.4913375292602704
Energy: 0.5033095655432791
Energy: 0.4927577489552844
Energy: 0.49245854747365414
Energy: 0.5689770297717516
Energy: 0.4924585474730846
Energy: 0.4908918720511033
Energy: 0.5032369603566283
Energy: 0.48836334268184806
Energy: 0.5032369603583369
Energy: 0.49647905913446655
Energy: 0.5185180788272827
Energy: 0.5196397862733705
Energy: 0.5185180788278523
Energy: 0.4858619002367504
Energy: 0.505769563405604
Energy: 0.491877905967825
Energy: 0.5057695634050344
Energy: 0.49621791845646457
Energy: 0.6213702286124109
Energy: 0.6356496023945364
Energy: 0.6213702286107022
Energy: 0.4854374004064615
Energy: 0.503622440419271
Energy: 0.49173453134072154
Energy: 0.5036224404209795
Energy: 0.49626360225355853
Energy: 0.5210797127015043
Energy: 0.5773938840398136
Energy: 0.5210797127003653
Energy: 0.5758261423755189
Energy: 0.5276707428910864
Energy: 0.4883183587064661
Energy: 0.5276707428922254
Energy: 0.4968919662342067
Energy: 0.5283024887386419
Energy: 0.4917624226987568
Energy: 0.5283024887380724
Energy: 0.5958874478385277
Energy: 0.5277212819705203
Energy: 0.49272352072974446
Energy: 0.5277212819699508
Energy: 0.5084712986859015
Energy: 0.4965747238274469
Energy: 0.5014623443801671
Energy: 0.4965747238274469
Energy: 0.6083009683948404
Energy: 0.5276648338293913
Energy: 0.49288396431596593
Energy: 0.5276648338299609
Energy: 0.4963647467676642
Energy: 0.4919587022257286
Energy: 0.49375766717086356
Energy: 0.49195870222629806
Energy: 0.48431064054161677
Energy: 0.5276257513162265
Energy: 0.48678552173673306
Energy: 0.5276257513173653
Energy: 0.4926318143444339
Energy: 0.5144023436319
Energy: 0.4871015074913471
Energy: 0.5144023436324695
Energy: 0.4911320795337796
Energy: 0.5199237349971156
Energy: 0.49004442261362624
Energy: 0.5199237349954071
Energy: 0.49228682460428097
Energy: 0.5223563117977529
Energy: 0.49013581558270697
Energy: 0.5223563117983224
Energy: 0.4922909626594903
Energy: 0.5224625255003136
Energy: 0.490072475555825
Energy: 0.5224625255014526
Energy: 0.4909978447414179
Energy: 0.5198173960947672
Energy: 0.4900613003108575
Energy: 0.5198173960959063
Energy: 0.49264312175172975
Energy: 0.5142460523520868
Energy: 0.48712208580387173
Energy: 0.5142460523515173
Energy: 0.484413942777966
Energy: 0.5279554403719176
Energy: 0.4868730608067641
Energy: 0.5279554403702089
Energy: 0.496368417375466
Energy: 0.49176078792204375
Energy: 0.4878792872395345
Energy: 0.4917607879214742
Energy: 0.608902843218387
Energy: 0.5277723090114405
Energy: 0.4928991929868383
Energy: 0.527772309013149
Energy: 0.5085664457097736
Energy: 0.4964543897368545
Energy: 0.4861978751989783
Energy: 0.49645438973742395
Energy: 0.5958594131277087
Energy: 0.5277721123781021
Energy: 0.4926798691926687
Energy: 0.5277721123803801
Energy: 0.4962818696164122
Energy: 0.5281024814285323
Energy: 0.4927896291363228
Energy: 0.5281024814291019
Energy: 0.5756358718241351
Energy: 0.5276765239705038
Energy: 0.48831164944370076
Energy: 0.5276765239710732
Energy: 0.49637428985941323
Energy: 0.5211891735054445
Energy: 0.5851278952047161
Energy: 0.5211891735065834
Energy: 0.4854482374517613
Energy: 0.5035463924439766
Energy: 0.4917240016086988
Energy: 0.5035463924451157
Energy: 0.4963384140735712
Energy: 0.6212308437684412
Energy: 0.6358844060020714
Energy: 0.6212308437678716
Energy: 0.48607312351260834
Energy: 0.5057439943194572
Energy: 0.4917656237695917
Energy: 0.5057439943217351
Energy: 0.4963718204697032
Energy: 0.518868298562889
Energy: 0.5236652131812347
Energy: 0.518868298564028
Energy: 0.49085880502276785
Energy: 0.5033718379579849
Energy: 0.48837257440043447
Energy: 0.5033718379619714

minimum gb energy = 0.48431064054161677 eV
minimum distance =  2.56603608291267 Angstroms
sigma value = 37


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

Energy: 0.46171920039887043
Energy: 0.4617316969592713
Energy: 0.45551471814655425
Energy: 0.4617316969592713
Energy: 0.507838968927829
Energy: 0.5862666626377439
Energy: 0.44680019730093784
Energy: 0.5862666626377439
Energy: 0.45045623126736606
Energy: 0.6005095622037612
Energy: 0.6164600032154947
Energy: 0.6005095622037612
Energy: 0.4414886682957289
Energy: 0.586740171079136
Energy: 0.44679482606571563
Energy: 0.586740171079136
Energy: 0.4457520591274239
Energy: 0.5866159640386316
Energy: 0.4530014042892254
Energy: 0.5866159640386316
Energy: 0.4429538243714862
Energy: 0.5863856973718213
Energy: 0.4427416077642765
Energy: 0.5863856973718213
Energy: 0.45943092528997204
Energy: 0.714911779965764
Energy: 0.5424558486806708
Energy: 0.714911779965764
Energy: 0.4459788968457874
Energy: 0.4619679639298638
Energy: 0.4636501631766317
Energy: 0.46196796392888395
Energy: 0.44578354952732135
Energy: 0.5867417309295367
Energy: 0.5424100366570159
Energy: 0.5867417309295367
Energy: 0.601113416352962
Energy: 0.5870452126989864
Energy: 0.44278450238003786
Energy: 0.5870452126989864
Energy: 0.4594675501512482
Energy: 0.7148459413599506
Energy: 0.44144416093543026
Energy: 0.7148459413599506
Energy: 0.6029695413130169
Energy: 0.4618249583882759
Energy: 0.4468409122968755
Energy: 0.4618249583882759
Energy: 0.4407980814554184
Energy: 0.5866909158238018
Energy: 0.44325509973616506
Energy: 0.5866909158238018
Energy: 0.5422190249674135
Energy: 0.7139916338772627
Energy: 0.44568760069186103
Energy: 0.7139916338772627
Energy: 0.4617667690490775
Energy: 0.4835838225927269
Energy: 0.4458864052558803
Energy: 0.4835838225927269
Energy: 0.4619125529987169
Energy: 0.5873280796674438
Energy: 0.44684658643533637
Energy: 0.5873280796674438
Energy: 0.44083426322372327
Energy: 0.5878688167266516
Energy: 0.44991220943740673
Energy: 0.5878688167266516
Energy: 0.44102538735542535
Energy: 0.7129255402079789
Energy: 0.44569126471297765
Energy: 0.7129255402079789
Energy: 0.44672103625571874
Energy: 0.4616444979999099
Energy: 0.4458361054583598
Energy: 0.4616444980008897
Energy: 0.4416509794737252
Energy: 0.5873456098429366
Energy: 0.4407859697455118
Energy: 0.5873456098429366

minimum gb energy = 0.4407859697455118 eV
minimum distance =  2.54968378111993 Angstroms
sigma value = 25


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

Energy: 0.4311732796840329
Energy: 0.4139931796402
Energy: 0.41590532963665944
Energy: 0.4139931796402
Energy: 0.4913614683361807
Energy: 0.6167788616397889
Energy: 0.41252221410383255
Energy: 0.6167788616397889
Energy: 0.40776137484348307
Energy: 0.4079160791053009
Energy: 0.7367960120784105
Energy: 0.4079160791053009
Energy: 0.41783121951002855
Energy: 0.6183750224226093
Energy: 0.4128006210202259
Energy: 0.6183750224226093
Energy: 0.41169564670826203
Energy: 0.6166327991087545
Energy: 0.5635564069768738
Energy: 0.6166327991095196
Energy: 0.39853132413209885
Energy: 0.61857498562862
Energy: 0.4125877081628606
Energy: 0.61857498562862
Energy: 0.4121325262524487
Energy: 0.40947450514209294
Energy: 0.417799597735253
Energy: 0.40947450514209294
Energy: 0.3999780980885287
Energy: 0.5328858023719578
Energy: 0.4088018802676574
Energy: 0.5328858023719578
Energy: 0.4115708790963711
Energy: 0.6168810391003207
Energy: 0.49189539325036563
Energy: 0.6168810391003207
Energy: 0.3993161223864708
Energy: 0.41062678387452956
Energy: 0.43209638861862687
Energy: 0.41062678387529467
Energy: 0.41222980177047924
Energy: 0.4093605566727188
Energy: 0.5505105168331085
Energy: 0.4093605566727188
Energy: 0.5136859500829581
Energy: 0.6516717349728166
Energy: 0.408822017404731
Energy: 0.6516717349728166
Energy: 0.4113824101908324
Energy: 0.6177121360435023
Energy: 0.4755333092367884
Energy: 0.6177121360435023
Energy: 0.5209910580547513
Energy: 0.6294626550065299
Energy: 0.41266913201628713
Energy: 0.6294626550065299
Energy: 0.41213134313988903
Energy: 0.4091974546666115
Energy: 0.4025740799703878
Energy: 0.4091974546673766
Energy: 0.5053606073961786
Energy: 0.6375973935871097
Energy: 0.41124654473353406
Energy: 0.6375973935863445
Energy: 0.41180199918643773
Energy: 0.5332523955901829
Energy: 0.3999331536969848
Energy: 0.5332523955901829
Energy: 0.48964367363549705
Energy: 0.616388616039301
Energy: 0.4125722610927008
Energy: 0.616388616039301
Energy: 0.43507787989491187
Energy: 0.4081268767682442
Energy: 0.3989823978353726
Energy: 0.40812687676747916
Energy: 0.5513262338967533
Energy: 0.6353750316659255
Energy: 0.41118167021194196
Energy: 0.6353750316659255
Energy: 0.41174289455840873
Energy: 0.6502248072635203
Energy: 0.403849388298367
Energy: 0.6502248072635203
Energy: 0.40811918582471224
Energy: 0.6169826308786893
Energy: 0.41230019770927
Energy: 0.6169826308794545
Energy: 0.41236128989034093
Energy: 0.6283071745728686
Energy: 0.5229358301553231
Energy: 0.6283071745721034
Energy: 0.39951751230832266
Energy: 0.6344760954122739
Energy: 0.4114403358872792
Energy: 0.6344760954122739
Energy: 0.411450783356155
Energy: 0.6502920860120873
Energy: 0.49628186290863435
Energy: 0.6502920860120873
Energy: 0.3989966250789602
Energy: 0.5328878477281508
Energy: 0.40794606313304393
Energy: 0.5328878477281508

minimum gb energy = 0.39853132413209885 eV
minimum distance =  2.48348034566865 Angstroms
sigma value = 41


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

Energy: 0.5322865890574168
Energy: 0.5506971770774308
Energy: 0.5393635445469364
Energy: 0.5506971770774308
Energy: 0.5048297769748293
Energy: 0.3796929272510382
Energy: 0.3722600893785518
Energy: 0.3796929272516655
Energy: 0.382204716022181
Energy: 0.374066618328189
Energy: 0.4706794408480976
Energy: 0.3740666183275618
Energy: 0.44414773994228185
Energy: 0.3773095867939728
Energy: 0.3723487906300325
Energy: 0.37730958679460014
Energy: 0.36933882287933195
Energy: 0.558342414942334
Energy: 0.3863003848163291
Energy: 0.558342414942334
Energy: 0.3832892234299001
Energy: 0.3766068261549591
Energy: 0.3721592817259178
Energy: 0.3766068261549591
Energy: 0.37158212857155365
Energy: 0.38093166395693506
Energy: 0.3836378981636534
Energy: 0.38093166395128975
Energy: 0.3655291960376925
Energy: 0.46810115131700775
Energy: 0.36993662160726426
Energy: 0.4681011513163805
Energy: 0.37386284796780556
Energy: 0.5765349749043199
Energy: 0.4435477032008969
Energy: 0.5765349749043199
Energy: 0.3694519930945184
Energy: 0.37196306246365773
Energy: 0.38270579062304677
Energy: 0.3719630624630305
Energy: 0.37162321046389274
Energy: 0.3787304979597534
Energy: 0.5052524749747146
Energy: 0.3787304979597534
Energy: 0.36497762311225296
Energy: 0.5494374409750407
Energy: 0.5327662324098449
Energy: 0.5494374409750407
Energy: 0.3739166433010956
Energy: 0.5777169161161076
Energy: 0.5047737623096399
Energy: 0.5777169161161076
Energy: 0.46332530196843136
Energy: 0.5078619214274803
Energy: 0.38269545934346955
Energy: 0.5078619214274803
Energy: 0.37159826462806644
Energy: 0.379125328971991
Energy: 0.4895152945371812
Energy: 0.379125328971991
Energy: 0.46701624890045285
Energy: 0.5782559131344943
Energy: 0.369854367326102
Energy: 0.5782559131351216
Energy: 0.3739576025828934
Energy: 0.5766679620385607
Energy: 0.4601286809564595
Energy: 0.5766679620385607
Energy: 0.46338007291194055
Energy: 0.4962580626874604
Energy: 0.37222381752405437
Energy: 0.4962580626868332
Energy: 0.371669374219737
Energy: 0.4679974975991545
Energy: 0.36517925160356896
Energy: 0.4679974975985557
Energy: 0.44969952690403864
Energy: 0.578234713021972
Energy: 0.376295691370204
Energy: 0.5782347130225994
Energy: 0.38439708288307334
Energy: 0.5774987247422223
Energy: 0.3666757795825911
Energy: 0.5774987247422223
Energy: 0.5881175519326091
Energy: 0.607011458115224
Energy: 0.37207955144676214
Energy: 0.607011458115224
Energy: 0.5338670054952688
Energy: 0.549794875633101
Energy: 0.3652538281690763
Energy: 0.549794875633101
Energy: 0.5021068337348951
Energy: 0.578011032021851
Energy: 0.37402176038301344
Energy: 0.578011032021851
Energy: 0.3845190041412009
Energy: 0.5988702481387894
Energy: 0.3682447450487017
Energy: 0.5988702481394167
Energy: 0.4882231087256633
Energy: 0.6054935015015256
Energy: 0.37221304993160653
Energy: 0.6054935015021528
Energy: 0.37170156724977677
Energy: 0.5757102737808505
Energy: 0.4677814807683939
Energy: 0.5757102737808505
Energy: 0.37335540998261707
Energy: 0.5766733685126934
Energy: 0.3764704910075998
Energy: 0.5766733685133205
Energy: 0.3739342712041831
Energy: 0.5996767009891414
Energy: 0.46430704159813285
Energy: 0.5996767009891414
Energy: 0.3696113204383254
Energy: 0.5948014220560336
Energy: 0.3742649299436866
Energy: 0.5948014220560336
Energy: 0.371867411147985
Energy: 0.5758184103722311
Energy: 0.4533764632339201
Energy: 0.5758184103722311
Energy: 0.3696544297506056
Energy: 0.5765525639659359
Energy: 0.3871920070308443
Energy: 0.5765525639659359

minimum gb energy = 0.36497762311225296 eV
minimum distance =  2.47870878999793 Angstroms
sigma value = 15


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

Energy: 0.4852739816383815
Energy: 0.5429224995800523
Energy: 0.5142675723284234
Energy: 0.542922499579521
Energy: 0.5412528486915227
Energy: 0.5208727436800556
Energy: 0.34995662437856195
Energy: 0.5208727436795243
Energy: 0.36047493656624374
Energy: 0.3502069908966163
Energy: 0.6033405989555359
Energy: 0.350206990897679
Energy: 0.4576594767801734
Energy: 0.5333729260460474
Energy: 0.34994426294504954
Energy: 0.5333729260460474
Energy: 0.348045294043027
Energy: 0.5493188344619411
Energy: 0.5149213225585666
Energy: 0.5493188344608784
Energy: 0.407378092801843
Energy: 0.51928437802124
Energy: 0.35001494264066135
Energy: 0.5192843780207086
Energy: 0.3494844039018322
Energy: 0.5007680948178577
Energy: 0.35626924303913743
Energy: 0.5007680948173263
Energy: 0.35618591954484646
Energy: 0.49997970764450284
Energy: 0.3500024010717426
Energy: 0.4999797076439714
Energy: 0.35088449471430744
Energy: 0.5472668085680269
Energy: 0.40797244822276213
Energy: 0.5472668085680269
Energy: 0.34012469608226936
Energy: 0.5230642148130077
Energy: 0.34844363548125223
Energy: 0.5230642148130077
Energy: 0.3495873995785548
Energy: 0.5196402193546598
Energy: 0.4598389440490025
Energy: 0.5196402193546598
Energy: 0.34071250435316935
Energy: 0.3508833519602817
Energy: 0.3608522967927498
Energy: 0.3508833519602817
Energy: 0.35094948097833706
Energy: 0.5468782074040097
Energy: 0.5392268457159223
Energy: 0.5468782074045411
Energy: 0.34139519106090804
Energy: 0.5539762712797046
Energy: 0.48547906193739077
Energy: 0.5539762712807673
Energy: 0.34951078540364394
Energy: 0.5220975808285295
Energy: 0.5412819946486528
Energy: 0.5220975808279981
Energy: 0.4236826202681925
Energy: 0.3505480087472991
Energy: 0.3607915581117601
Energy: 0.3505480087472991
Energy: 0.3510971356581987
Energy: 0.546969320372468
Energy: 0.46025286529334947
Energy: 0.546969320372468
Energy: 0.4263246246962358
Energy: 0.5598555464442936
Energy: 0.34846937175671877
Energy: 0.559855546444825
Energy: 0.34945900274865704
Energy: 0.5223028860869995
Energy: 0.408329625281119
Energy: 0.5223028860864681
Energy: 0.42110048560054125
Energy: 0.5220009381356548
Energy: 0.349878414636584
Energy: 0.5220009381356548
Energy: 0.35090610473954126
Energy: 0.5338834843539592
Energy: 0.35861898858932234
Energy: 0.5338834843539592
Energy: 0.4233772437706289
Energy: 0.5588543544415323
Energy: 0.3527442142540188
Energy: 0.5588543544404696
Energy: 0.3495338757792373
Energy: 0.5218737072514847
Energy: 0.3383997248972393
Energy: 0.5218737072514847
Energy: 0.516545276645945
Energy: 0.5221409316145181
Energy: 0.3499324985729167
Energy: 0.5221409316139867
Energy: 0.3618692575212304
Energy: 0.5335713366479861
Energy: 0.3435743088916698
Energy: 0.5335713366485174
Energy: 0.5384976077152973
Energy: 0.5586256592242906
Energy: 0.35268689051778745
Energy: 0.5586256592242906
Energy: 0.48601180517833115
Energy: 0.5403151820589887
Energy: 0.33877824489497044
Energy: 0.5403151820589887
Energy: 0.6154223472121123
Energy: 0.522826720166672
Energy: 0.34995142207973273
Energy: 0.522826720166672
Energy: 0.3619635725871423
Energy: 0.5589938892117761
Energy: 0.344463507522581
Energy: 0.5589938892123073
Energy: 0.44629303832769845
Energy: 0.5481180740180056
Energy: 0.35288767330756676
Energy: 0.548118074018537
Energy: 0.3495339148950964
Energy: 0.5469311142755054
Energy: 0.42848522361347713
Energy: 0.5469311142760368
Energy: 0.450193764709983
Energy: 0.5219291416502989
Energy: 0.34987213568106995
Energy: 0.5219291416508303
Energy: 0.3509836848346125
Energy: 0.5591962363385893
Energy: 0.42853235965834957
Energy: 0.5591962363385893
Energy: 0.3514897085708074
Energy: 0.5330753784797991
Energy: 0.3528987284296875
Energy: 0.5330753784797991
Energy: 0.34329156485519857
Energy: 0.5470422655216783
Energy: 0.42876565606332107
Energy: 0.5470422655216783
Energy: 0.3499452596215447
Energy: 0.5218117808097663
Energy: 0.35145773867979985
Energy: 0.5218117808108291
Energy: 0.35102295754852186
Energy: 0.5594424918740278
Energy: 0.5168131340237999
Energy: 0.5594424918740278

minimum gb energy = 0.3383997248972393 eV
minimum distance =  2.56740633739757 Angstroms
sigma value = 85


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

Energy: 0.45632425701667834
Energy: 0.5043162446298491
Energy: 0.36708554926092585
Energy: 0.50431624463031
Energy: 0.5645677118380448
Energy: 0.4792728305332603
Energy: 0.3194182781246242
Energy: 0.4792728305332603
Energy: 0.4377331020577518
Energy: 0.45559643158076296
Energy: 0.39765842825273495
Energy: 0.45559643158076296
Energy: 0.49512288257350584
Energy: 0.4792101804593154
Energy: 0.319359758285978
Energy: 0.4792101804593154
Energy: 0.3330549922382387
Energy: 0.4423338479436264
Energy: 0.4741620722556946
Energy: 0.44233384794316544
Energy: 0.42470308044522864
Energy: 0.4806048681297353
Energy: 0.3194499302450457
Energy: 0.4806048681297353
Energy: 0.31746278151655893
Energy: 0.46477038780750285
Energy: 0.33733881407525046
Energy: 0.46477038780750285
Energy: 0.38091427744371736
Energy: 0.47883686756821003
Energy: 0.31936572419223064
Energy: 0.47883686756821003
Energy: 0.31895674632837345
Energy: 0.44879261842712725
Energy: 0.3810479977939552
Energy: 0.44879261842712725
Energy: 0.33716050758358757
Energy: 0.46464172328690784
Energy: 0.317906630985094
Energy: 0.46464172328690784
Energy: 0.3204899121881939
Energy: 0.47993315709867085
Energy: 0.4248620576685476
Energy: 0.47993315709867085
Energy: 0.3059527824264395
Energy: 0.479161640764903
Energy: 0.3333991404025396
Energy: 0.479161640764903
Energy: 0.31897733844129833
Energy: 0.44841513342587697
Energy: 0.5266208149051733
Energy: 0.44841513342587697
Energy: 0.3061812744944542
Energy: 0.45554582866154336
Energy: 0.4380954770575919
Energy: 0.45554582866108256
Energy: 0.320399776671453
Energy: 0.47919597729470303
Energy: 0.5651763758190756
Energy: 0.47919597729470303
Energy: 0.30455478770961447
Energy: 0.5043929624501916
Energy: 0.4567399172675412
Energy: 0.5043929624501916
Energy: 0.31907735165299866
Energy: 0.44831576191283606
Energy: 0.5650313849855615
Energy: 0.448315761913297
Energy: 0.3710329643367591
Energy: 0.4555437652538779
Energy: 0.43802271877654747
Energy: 0.4555437652538779
Energy: 0.32041742269459855
Energy: 0.47916601400636794
Energy: 0.49585038691942623
Energy: 0.47916601400682873
Energy: 0.37856560479661805
Energy: 0.5137749189387805
Energy: 0.3334386238269918
Energy: 0.5137749189387805
Energy: 0.3189843553675287
Energy: 0.4486254661003683
Energy: 0.4252497043198725
Energy: 0.4486254661003683
Energy: 0.3773238512768066
Energy: 0.4796610310364075
Energy: 0.31784898835682684
Energy: 0.4796610310364075
Energy: 0.3203284867439321
Energy: 0.4786210932686552
Energy: 0.3813721552229478
Energy: 0.47862109326819435
Energy: 0.3796273891730926
Energy: 0.5117386727886318
Energy: 0.3194175807976349
Energy: 0.5117386727886318
Energy: 0.3190619618267583
Energy: 0.39584141560827857
Energy: 0.3376926218421765
Energy: 0.3958414156087394
Energy: 0.4510813792622806
Energy: 0.4790710406707453
Energy: 0.3200899352387148
Energy: 0.4790710406707453
Energy: 0.3344599979687428
Energy: 0.47893583838073095
Energy: 0.3063955122247419
Energy: 0.47893583838027004
Energy: 0.45723115507486384
Energy: 0.5120034853580869
Energy: 0.3194140956574802
Energy: 0.5120034853576262
Energy: 0.43893220377485087
Energy: 0.4555882498046601
Energy: 0.3063356453084389
Energy: 0.45558824980419926
Energy: 0.6104095317317112
Energy: 0.47912228203452556
Energy: 0.3195987720952323
Energy: 0.47912228203452556
Energy: 0.45774827478468166
Energy: 0.5012479400654406
Energy: 0.30508371798464445
Energy: 0.5012479400654406
Energy: 0.5510512093665321
Energy: 0.5126772474930441
Energy: 0.3193676245540719
Energy: 0.5126772474930441
Energy: 0.4390868684449249
Energy: 0.4555763340079159
Energy: 0.3064395968410021
Energy: 0.4555763340079159
Energy: 0.5436076346813554
Energy: 0.4790300879949435
Energy: 0.3199373568945966
Energy: 0.4790300879949435
Energy: 0.33451021049837587
Energy: 0.5099396951436677
Energy: 0.3786974780395594
Energy: 0.5099396951436677
Energy: 0.39900357205283626
Energy: 0.5103598906665987
Energy: 0.3193140615221513
Energy: 0.5103598906665987
Energy: 0.31896692287755635
Energy: 0.47934735942035894
Energy: 0.3772322569195944
Energy: 0.47934735942035894
Energy: 0.3934638624429865
Energy: 0.4785444445039395
Energy: 0.3198959336740048
Energy: 0.4785444445039395
Energy: 0.3205683863318251
Energy: 0.5099921057243639
Energy: 0.37943477696755634
Energy: 0.5099921057243639
Energy: 0.30798101243094017
Energy: 0.49803806404822976
Energy: 0.32066771842391184
Energy: 0.49803806404822976
Energy: 0.3190132400520589
Energy: 0.4791601793834575
Energy: 0.46458742805288156
Energy: 0.4791601793834575
Energy: 0.30474479843646696
Energy: 0.47872395452152605
Energy: 0.33592705819113
Energy: 0.4787239545210652
Energy: 0.32039024279938594
Energy: 0.5099897732749782
Energy: 0.45710080329902913
Energy: 0.5099897732749782

minimum gb energy = 0.30455478770961447 eV
minimum distance =  2.56123636754039 Angstroms
sigma value = 113


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

Energy: 0.011735058053226697
Energy: 0.013136831288340839
Energy: 0.3929448960841879
Energy: 0.013136831288675443
Energy: 0.3926129128168861
Energy: 0.1751889109142657
Energy: 0.17554518281275952
Energy: 0.1751889109139114
Energy: 0.011735058053580985
Energy: 0.013136831288340839
Energy: 0.392944876899923
Energy: 0.013136831288340839
Energy: 0.3926129128168861
Energy: 0.1751889109142657
Energy: 0.17554424856830764
Energy: 0.1751889109139114
Energy: 0.011735058053226697
Energy: 0.013136831288340839
Energy: 1.1530651117025397
Energy: 0.013136831288675443
Energy: 0.3926129128168861
Energy: 0.1751889109142657
Energy: 0.1755473721887882
Energy: 0.17518891091355712

minimum gb energy = 0.011735058053226697 eV
minimum distance =  2.83530858827365 Angstroms
sigma value = 1