Model name: model_name=SNAP_ZuoChenLi_2019_Cu__MO_931672895580_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.633761629462242
cohesive_energy=1.552270683108943
mass=63.546
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: -2.5491213275734 eV

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

Energy: 0.005959745892310636
Energy: 0.006650432497156223
Energy: 1.0511827498004127
Energy: 0.006650432497156223
Energy: 0.006650432497156223
Energy: 0.9581995942477869
Energy: 0.006650432497156223
Energy: 0.9581995942477869
Energy: 1.0511827498004127
Energy: 0.006650432497156223
Energy: 0.005959745892310636
Energy: 0.006650432497156223
Energy: 0.006650432497156223
Energy: 0.9581995942477869
Energy: 0.006650432497156223
Energy: 0.9581995942477869

minimum gb energy = 0.005959745892310636 eV
minimum distance =  2.47819848250931 Angstroms
sigma value = 1


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

Energy: 0.9093526729700567
Energy: 0.9786947011404273
Energy: 0.9260417815182808
Energy: 0.9786947011404273
Energy: 0.881782156099112
Energy: 0.9683466174119747
Energy: 0.8882979859837754
Energy: 0.9683466174119747
Energy: 0.8606294111860738
Energy: 0.9640704970304721
Energy: 0.8668618401244398
Energy: 0.9640704970304721
Energy: 0.8759490800238297
Energy: 0.9885864448734006
Energy: 0.8641904571511037
Energy: 0.9885864448741533
Energy: 0.8619702318579201
Energy: 0.98007247749681
Energy: 0.8705559403805386
Energy: 0.98007247749681
Energy: 0.8639784370422288
Energy: 1.1115564303191001
Energy: 0.8513929234854488
Energy: 1.1115564303198529
Energy: 0.8858033279985786
Energy: 0.9645010827598367
Energy: 0.8654720131021912
Energy: 0.9645010827598367
Energy: 0.8430356649786368
Energy: 0.9797872708689176
Energy: 0.8488855742388803
Energy: 0.9797872708689176
Energy: 0.8637278477410629
Energy: 1.1080503356366354
Energy: 0.8892300809225928
Energy: 1.1080503356366354
Energy: 0.8629476712178573
Energy: 0.9636559673404345
Energy: 0.8342771655061982
Energy: 0.9636559673404345
Energy: 0.8859051246059368
Energy: 0.9406850315523004
Energy: 0.8638379382746503
Energy: 0.9406850315523004
Energy: 0.9017899229305866
Energy: 0.9801678803754584
Energy: 0.8727954698892735
Energy: 0.9801678803754584
Energy: 0.8870430826261418
Energy: 0.9632353571126496
Energy: 0.8844145323073754
Energy: 0.9632353571126496
Energy: 0.8680178010202902
Energy: 0.969758246792649
Energy: 0.8628112019689318
Energy: 0.969758246792649
Energy: 0.8755651988771441
Energy: 0.9800330404199583
Energy: 0.8668565216007404
Energy: 0.9800330404192055
Energy: 0.8698173078591868
Energy: 0.9783164693564893
Energy: 0.8814405127304009
Energy: 0.9783164693564893
Energy: 0.8670103932370907
Energy: 0.9641726972373755
Energy: 0.8433898306534066
Energy: 0.9641726972373755
Energy: 0.8883509853667908
Energy: 0.9636796888898472
Energy: 0.9010313174876058
Energy: 0.9636796888898472
Energy: 0.8937131037655699
Energy: 0.9793255955747635
Energy: 0.8675635913765698
Energy: 0.9793255955747635
Energy: 0.9013341251884991
Energy: 0.8707998791253946
Energy: 0.8658709861721081
Energy: 0.8707998791253946
Energy: 0.8527454837822329
Energy: 0.9639153795543417
Energy: 0.8534836076464093
Energy: 0.9639153795543417
Energy: 0.8642203448421821
Energy: 0.890227394359351
Energy: 0.8709103572196614
Energy: 0.890227394359351
Energy: 0.8695004258050549
Energy: 0.9800657543922883
Energy: 0.8517358007064666
Energy: 0.9800657543922883
Energy: 0.8668119074030954
Energy: 0.9652516277923938
Energy: 0.8641340430833945
Energy: 0.9652516277923938
Energy: 0.8652003653685763
Energy: 1.1120157588202626
Energy: 0.8847549779630154
Energy: 1.1120157588202626
Energy: 0.8654769778371653
Energy: 0.9800158295206876
Energy: 0.8670405079741416
Energy: 0.9800158295206876
Energy: 0.8778557445421977
Energy: 1.106458680776239
Energy: 0.8636435807247762
Energy: 1.106458680776239
Energy: 0.8629179184837028
Energy: 0.9636079394389647
Energy: 0.8668521306754602
Energy: 0.9636079394389647
Energy: 0.8809842763215301
Energy: 0.9712853792476044
Energy: 0.8692644682820073
Energy: 0.9712853792476044
Energy: 0.881759579805689
Energy: 0.9790956773670286
Energy: 0.9070800798748858
Energy: 0.9790956773670286
Energy: 0.8770090551570091
Energy: 0.9706216555730923
Energy: 0.8867993540739528
Energy: 0.9706216555730923
Energy: 0.878985717720838
Energy: 0.9643435627824792
Energy: 0.8736081189585022
Energy: 0.9643435627824792
Energy: 0.8626043671089578
Energy: 0.987329393580855
Energy: 0.8669878391423661
Energy: 0.987329393580855

minimum gb energy = 0.8342771655061982 eV
minimum distance =  2.29332120774699 Angstroms
sigma value = 1


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

Energy: 0.9608125271982271
Energy: 1.0439280483224171
Energy: 0.9521456422327238
Energy: 1.0439280483224171
Energy: 0.9160294112211573
Energy: 0.9935038506758579
Energy: 0.9257760248014171
Energy: 0.9935038506749995
Energy: 0.9057746966782747
Energy: 1.0414942959015254
Energy: 0.9056663611353427
Energy: 1.0414942959015254
Energy: 0.8985550210892703
Energy: 0.9781312906983481
Energy: 0.9045713835159853
Energy: 0.9781312906983481
Energy: 0.8980251915983045
Energy: 1.0235046594326356
Energy: 0.911054748705795
Energy: 1.0235046594326356
Energy: 0.9647825843613747
Energy: 1.0236381081619679
Energy: 0.9138398927628288
Energy: 1.0236381081619679
Energy: 0.9162673839432066
Energy: 0.9295633591726319
Energy: 0.9076856638446262
Energy: 0.9295633591734903
Energy: 0.8719785210366171
Energy: 1.0407403910572233
Energy: 0.8942838607389864
Energy: 1.0407403910572233
Energy: 0.8981683472760915
Energy: 0.9234240954795442
Energy: 0.9453701292699331
Energy: 0.9234240954795442
Energy: 0.9094559663702875
Energy: 1.0420133781608736
Energy: 0.8756989524343409
Energy: 1.0420133781608736
Energy: 0.9160629354859773
Energy: 0.9724101998124364
Energy: 0.9261947136176136
Energy: 0.9724101998124364
Energy: 0.8864496122911878
Energy: 1.0331026222809783
Energy: 0.9115184256088895
Energy: 1.0331026222809783
Energy: 0.9188570442476747
Energy: 1.0211368434605452
Energy: 0.918201058280854
Energy: 1.0211368434605452
Energy: 0.9236088004961369
Energy: 1.0211401922417709
Energy: 0.9150097500968757
Energy: 1.0211401922417709
Energy: 0.8863137036701972
Energy: 1.0334162759117125
Energy: 0.9057155779043413
Energy: 1.0334162759117125
Energy: 0.9160304257825734
Energy: 0.9722906343584555
Energy: 0.9260568635751762
Energy: 0.9722906343584555
Energy: 0.9093122800079075
Energy: 1.0422101832657742
Energy: 0.8835542807138924
Energy: 1.0422101832666326
Energy: 0.8981757180047657
Energy: 0.9237604585165056
Energy: 0.9455019856597459
Energy: 0.9237604585165056
Energy: 0.8719571964927455
Energy: 1.0438943495093373
Energy: 0.8891091840327504
Energy: 1.0438943495093373
Energy: 0.9162130381514283
Energy: 0.9294941490752956
Energy: 0.9078029358978129
Energy: 0.9294941490752956
Energy: 0.964834531280184
Energy: 1.0232434588452872
Energy: 0.8965792317371946
Energy: 1.0232434588452872
Energy: 0.8983733913825265
Energy: 1.023218417027922
Energy: 0.9205442933260181
Energy: 1.023218417027922
Energy: 0.8983812894093152
Energy: 0.9783478056234637
Energy: 0.9004550858547551
Energy: 0.9783478056234637
Energy: 0.9057702308106842
Energy: 1.0444070899633622
Energy: 0.9055436139778547
Energy: 1.0444070899633622
Energy: 0.9161500862729363
Energy: 0.9931249282002074
Energy: 0.9257342046518807
Energy: 0.9931249281993489
Energy: 0.9608125271982271
Energy: 1.0439280483224171
Energy: 0.9521456422327238
Energy: 1.0439280483224171
Energy: 0.9160294112211573
Energy: 0.9935038506758579
Energy: 0.9257760248014171
Energy: 0.9935038506758579
Energy: 0.9057746966782747
Energy: 1.0414942959015254
Energy: 0.909515173079552
Energy: 1.0414942959015254
Energy: 0.8985550210892703
Energy: 0.9781312906983481
Energy: 0.9052120154003166
Energy: 0.9781312906983481

minimum gb energy = 0.8719571964927455 eV
minimum distance =  2.27709093106741 Angstroms
sigma value = 25


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

Energy: 0.9926219935697146
Energy: 1.0925301815405608
Energy: 1.0322331688879924
Energy: 1.092530181541559
Energy: 0.9818457826159531
Energy: 1.03437397483425
Energy: 0.9536719005029773
Energy: 1.03437397483425
Energy: 0.9554546464390478
Energy: 1.1295936099743191
Energy: 0.9529362937064325
Energy: 1.1295936099743191
Energy: 0.9465421083075476
Energy: 1.056508079911384
Energy: 0.9437105804771913
Energy: 1.056508079911384
Energy: 0.9447642922940527
Energy: 1.092796765320482
Energy: 0.9691123756044725
Energy: 1.092796765320482
Energy: 1.0263416892117978
Energy: 1.1289431326163983
Energy: 0.9802225583560232
Energy: 1.1289431326163983
Energy: 0.9804055857979352
Energy: 0.9591848988982657
Energy: 0.9761503205608019
Energy: 0.9591848988982657
Energy: 1.0820087735302795
Energy: 1.0931668494117546
Energy: 0.9315463762732403
Energy: 1.0931668494127527
Energy: 0.9768763467993028
Energy: 1.032829586896713
Energy: 0.9807671552968293
Energy: 1.032829586896713
Energy: 0.951553948927634
Energy: 1.128563744156988
Energy: 0.9347784613021924
Energy: 1.128563744156988
Energy: 0.9689177567195509
Energy: 1.0924792000720789
Energy: 0.9512010406032922
Energy: 1.0924792000720789
Energy: 0.9721651312207943
Energy: 1.0921078130826445
Energy: 0.9509666191348448
Energy: 1.0921078130826445
Energy: 0.953809446572315
Energy: 1.0539196433244467
Energy: 0.9337728271534416
Energy: 1.0539196433244467
Energy: 0.9759026921982128
Energy: 0.9520054101185864
Energy: 0.9813062397542719
Energy: 0.9520054101195843
Energy: 0.9567301718604934
Energy: 1.0939689556759669
Energy: 0.9305355807284581
Energy: 1.0939689556759669
Energy: 0.9817326828808374
Energy: 0.9583863091934812
Energy: 0.9435069509131279
Energy: 0.9583863091934812
Energy: 0.9131567890807092
Energy: 1.1298504331701362
Energy: 0.9116616802275146
Energy: 1.1298504331691384
Energy: 0.94401090031571
Energy: 1.0677173693797641
Energy: 0.970266691798561
Energy: 1.0677173693797641
Energy: 0.9464322073537397
Energy: 1.0548665984182244
Energy: 0.9446923629532326
Energy: 1.0548665984182244
Energy: 0.9805120066370667
Energy: 1.128276498028352
Energy: 0.9522752737919413
Energy: 1.128276498028352
Energy: 0.9616585726407969
Energy: 1.035230109826061
Energy: 0.9521358989185323
Energy: 1.035230109826061
Energy: 0.9749889585815402
Energy: 1.0928794272547069
Energy: 1.0186796499989725
Energy: 1.0928794272547069
Energy: 0.9807523515778295
Energy: 1.0398346374712764
Energy: 0.9519243982242872
Energy: 1.0398346374712764
Energy: 0.9542603086791854
Energy: 1.1292965672466013
Energy: 0.9516454689771112
Energy: 1.1292965672466013
Energy: 0.9518958537659536
Energy: 0.9633566136189069
Energy: 0.9443742603606694
Energy: 0.9633566136189069

minimum gb energy = 0.9116616802275146 eV
minimum distance =  2.31054822057623 Angstroms
sigma value = 9


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

Energy: 1.0680209783088948
Energy: 1.053188734648702
Energy: 1.0690228815802856
Energy: 1.053188734648702
Energy: 1.0164226082527952
Energy: 1.1141311064275927
Energy: 1.0022270100756816
Energy: 1.1141311064275927
Energy: 1.0108458744231374
Energy: 1.012368663311179
Energy: 1.0023365223595215
Energy: 1.0123686633087983
Energy: 1.0126025652244863
Energy: 1.1865018825058402
Energy: 0.989821106428719
Energy: 1.1865018825058402
Energy: 1.0995287718418503
Energy: 1.1136968723866703
Energy: 1.0084011244926196
Energy: 1.1136968723866703
Energy: 0.949359162119707
Energy: 1.0213726067018445
Energy: 1.0407466696755918
Energy: 1.0213726067018445
Energy: 1.0122376161944378
Energy: 0.989805009749374
Energy: 0.9901472422658968
Energy: 0.989805009749374
Energy: 1.042046746598436
Energy: 1.021400957778683
Energy: 0.9803118249528184
Energy: 1.021400957778683
Energy: 1.0132575793252863
Energy: 1.1141413074706152
Energy: 1.0035569426455984
Energy: 1.1141413074706152
Energy: 1.0120260234723948
Energy: 1.0120171152619044
Energy: 0.990028470367356
Energy: 1.0120171152749984
Energy: 0.9818999680429684
Energy: 1.1481052357657504
Energy: 1.0094804224865679
Energy: 1.1481052357657504
Energy: 1.013635990621407
Energy: 1.0124536082120257
Energy: 0.9896575508838438
Energy: 1.012453608213216
Energy: 0.9490021339554472
Energy: 1.053355824254568
Energy: 0.976660860344348
Energy: 1.0533558242533776
Energy: 1.051970483961591
Energy: 1.022790833003392
Energy: 1.002383496896529
Energy: 1.022790833003392
Energy: 0.9490129363532369
Energy: 1.0539979417137098
Energy: 0.9985937991858364
Energy: 1.0539979417137098
Energy: 1.0119756773897248
Energy: 1.0122529558832465
Energy: 0.9896911230015799
Energy: 1.012252955882056
Energy: 0.9817967669250939
Energy: 1.148070310636682
Energy: 0.992667985935634
Energy: 1.148070310636682
Energy: 1.0118302260205592
Energy: 1.0121692606172843
Energy: 0.9897148486787578
Energy: 1.0121692606172843
Energy: 1.0130452422616891
Energy: 1.114318321086269
Energy: 0.9928206629389066
Energy: 1.114318321086269
Energy: 1.0420408081511536
Energy: 1.021420732925257
Energy: 0.9803510020382663
Energy: 1.021420732925257
Energy: 1.0121574428080884
Energy: 0.989815963793475
Energy: 0.9901269471590557
Energy: 0.9898159637946654

minimum gb energy = 0.9490021339554472 eV
minimum distance =  2.33517753889998 Angstroms
sigma value = 25


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

Energy: 1.0188863861472142
Energy: 1.2231541313944667
Energy: 1.1593144837190916
Energy: 1.2231541313944667
Energy: 0.9967186131922017
Energy: 0.995557652506824
Energy: 0.9791509647946514
Energy: 0.995557652506824
Energy: 0.9789066481569396
Energy: 1.2620009236669245
Energy: 0.9782220623111838
Energy: 1.2620009236669245
Energy: 1.0178936399418421
Energy: 1.0683884295544295
Energy: 1.1105110312319895
Energy: 1.0683884295544295
Energy: 1.1098745937036085
Energy: 0.9969052273421637
Energy: 1.0249944953112857
Energy: 0.9969052273421637
Energy: 0.978881031188448
Energy: 1.2608386137225702
Energy: 0.9801068679257903
Energy: 1.2608386137225702
Energy: 0.9788330966278567
Energy: 0.9936092025737189
Energy: 0.978656790820102
Energy: 0.9936092025619421
Energy: 1.0978561788803163
Energy: 1.2223630180807123
Energy: 1.0160563062505445
Energy: 1.2223630180807123
Energy: 0.9781102354771934
Energy: 1.0234018823798572
Energy: 0.9987894300044554
Energy: 1.0234018824063549
Energy: 1.1568305184014258
Energy: 1.067963184158834
Energy: 0.9805017974928403
Energy: 1.0679631841558899
Energy: 1.005916072346352
Energy: 1.2239086747225094
Energy: 1.2292691990130107
Energy: 1.2239086747225094
Energy: 0.9786148259583872
Energy: 1.0311448313087244
Energy: 1.156429773449167
Energy: 1.0311448313072524
Energy: 1.092173894559461
Energy: 1.2629730333590008
Energy: 0.9783814808413024
Energy: 1.2629730333590008
Energy: 0.9785474339267635
Energy: 1.0694966576803948
Energy: 1.0172889264339995
Energy: 1.069496657049283
Energy: 1.0234923760788337
Energy: 1.2235544611301488
Energy: 1.0978792827123058
Energy: 1.2235544611301488
Energy: 0.9958117136055422
Energy: 1.0952866528326723
Energy: 0.9782959356760049
Energy: 1.0952866528326723
Energy: 0.9782367092038796
Energy: 1.0779894202061435
Energy: 1.15550031090717
Energy: 1.0779894202061435

minimum gb energy = 0.9781102354771934 eV
minimum distance =  2.32377562625887 Angstroms
sigma value = 17


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

Energy: 1.119909347442336
Energy: 1.1207788411695174
Energy: 1.1851530232077987
Energy: 1.1207788411695174
Energy: 1.1405470370943842
Energy: 1.1176752020919842
Energy: 1.0094942097463113
Energy: 1.1176752020919842
Energy: 1.1213334306490619
Energy: 1.1091879487217613
Energy: 1.0084670781534102
Energy: 1.1091879487217613
Energy: 1.0105444339724567
Energy: 1.1116287604147694
Energy: 1.0836185082519487
Energy: 1.1116287604147694
Energy: 1.1627987950051133
Energy: 1.0886578846414596
Energy: 1.0565320556021243
Energy: 1.0886578846414596
Energy: 1.0270732816681911
Energy: 1.103937466234522
Energy: 1.1148846572640634
Energy: 1.103937466234522
Energy: 1.0135438718375782
Energy: 1.0794296738398008
Energy: 1.010086321615754
Energy: 1.0794296739773086
Energy: 1.1101891017221601
Energy: 1.0745815306065134
Energy: 1.0234352362504335
Energy: 1.074581530607347
Energy: 1.0290319446045202
Energy: 1.1628025338734223
Energy: 1.1551150376651378
Energy: 1.1628025338725887
Energy: 1.2276013201364377
Energy: 1.0980890096758875
Energy: 1.0096070945918505
Energy: 1.0980890096758875
Energy: 1.013572642684464
Energy: 1.112744456655107
Energy: 1.1234543107625614
Energy: 1.1127444566576081
Energy: 1.026176434480818
Energy: 1.1252965500586183
Energy: 1.025001543286129
Energy: 1.1252965500586183
Energy: 1.1328188749704715
Energy: 1.1117345130423086
Energy: 1.114692281455666
Energy: 1.1117345130423086
Energy: 1.00822330441845
Energy: 1.1765179635161305
Energy: 1.133169797304236
Energy: 1.1765179635111473
Energy: 1.1007778843600282
Energy: 1.1230455817340295
Energy: 1.0261284423229586
Energy: 1.123045581734863
Energy: 1.120813441010441
Energy: 1.1126464752403566
Energy: 1.1099085955365597
Energy: 1.1126464752403566
Energy: 1.0115368369514308
Energy: 1.1591165130005974
Energy: 1.235923573874022
Energy: 1.1591165130005974
Energy: 1.1146543399917648
Energy: 1.0982515965265007
Energy: 1.026899267439299
Energy: 1.0982515965265007
Energy: 1.0940126941859925
Energy: 1.1695451152711374
Energy: 1.074629548023202
Energy: 1.1695451152711374
Energy: 1.0095521378463694
Energy: 1.1132847471672538
Energy: 1.010557339397517
Energy: 1.1132847471672538
Energy: 1.05966050583477
Energy: 1.1006462888636313
Energy: 1.1211098018475851
Energy: 1.1006462888636313
Energy: 1.0097691069493073
Energy: 1.1762925459135836
Energy: 1.2291851399235443
Energy: 1.1762925459144171
Energy: 1.1373553594524775
Energy: 1.1314456225575884
Energy: 1.0087250627954072
Energy: 1.1314456225575884
Energy: 1.0259593977185486
Energy: 1.1218621703829679
Energy: 1.1320987561479492
Energy: 1.1218621706504803
Energy: 1.1063894931306615
Energy: 1.1226303862026745
Energy: 1.1307940836113342
Energy: 1.1226303862010067
Energy: 1.1739913624479792
Energy: 1.117032947689173
Energy: 1.0099561088046491
Energy: 1.117032947689173
Energy: 1.0373988797226894
Energy: 1.176981667506489
Energy: 1.2570884902935653
Energy: 1.176981667506489
Energy: 1.1159496216315652
Energy: 1.102427234872921
Energy: 1.1216966887847897
Energy: 1.102427234872921
Energy: 1.2197948177369509
Energy: 1.1098845570651148
Energy: 1.0131100067853447
Energy: 1.1098845570659484
Energy: 1.0234265379667118
Energy: 1.1620902818287777
Energy: 1.1168910430403174
Energy: 1.1620902818296115

minimum gb energy = 1.00822330441845 eV
minimum distance =  2.25567047217977 Angstroms
sigma value = 53


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

Energy: 0.9645734436727674
Energy: 0.962965400742938
Energy: 1.1239088544545017
Energy: 0.962965400742938
Energy: 1.1529244648733497
Energy: 1.0554863191454589
Energy: 1.098103570451423
Energy: 1.0554863191454589
Energy: 0.9648163723755305
Energy: 0.963670689655702
Energy: 1.0431406683796531
Energy: 0.963670689655702
Energy: 0.9649629320708171
Energy: 0.9630831124241118
Energy: 0.967154976210564
Energy: 0.9630831124241118
Energy: 1.1525604674429712
Energy: 1.0561939159204516
Energy: 1.0694484302160139
Energy: 1.0561939159204516
Energy: 0.9645734436727674
Energy: 0.962965400742938
Energy: 1.1941262354188964
Energy: 0.962965400742938
Energy: 1.1529244648733497
Energy: 1.0554863191454589
Energy: 1.1100029546926897
Energy: 1.0554863191454589
Energy: 0.9648163723755305
Energy: 0.963670689655702
Energy: 1.0431406683796531
Energy: 0.963670689655702
Energy: 0.9649629320708171
Energy: 0.9630831124241118
Energy: 1.059478353581662
Energy: 0.9630831124241118
Energy: 1.1525604674429712
Energy: 1.0561939159204516
Energy: 1.0894457556853065
Energy: 1.0561939159204516
Energy: 0.9645734436727674
Energy: 0.962965400742938
Energy: 1.2508414550055746
Energy: 0.962965400742938
Energy: 1.1529244648733497
Energy: 1.0554863191454589
Energy: 1.1100029546926897
Energy: 1.0554863191454589
Energy: 0.9648163723755305
Energy: 0.963670689655702
Energy: 1.110228192072543
Energy: 0.963670689655702

minimum gb energy = 0.962965400742938 eV
minimum distance =  2.31423879433452 Angstroms
sigma value = 9


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

Energy: 1.0715063483418987
Energy: 1.2151776700053485
Energy: 1.306646558706512
Energy: 1.21517767000819
Energy: 1.205102939035117
Energy: 1.106651534356291
Energy: 1.058487200891797
Energy: 1.106651534356291
Energy: 1.0292229134052135
Energy: 1.0565141016834765
Energy: 1.0440347112268251
Energy: 1.0565141016834765
Energy: 1.1280186676754276
Energy: 1.2083019341014418
Energy: 1.0380702286897352
Energy: 1.2083019340971795
Energy: 1.1514525431211275
Energy: 1.1173967803721732
Energy: 1.0505642059147808
Energy: 1.1173967803721732
Energy: 1.0573469388902395
Energy: 1.0551838377451694
Energy: 1.135758706064846
Energy: 1.0551838377451694
Energy: 1.312657193808047
Energy: 1.1120655906793588
Energy: 1.058813128511576
Energy: 1.1120655906793588
Energy: 1.0399116211349768
Energy: 1.2123227286118563
Energy: 1.145041938544819
Energy: 1.2123227286118563
Energy: 1.031559400856814
Energy: 1.2672113140737722
Energy: 1.0635639852823926
Energy: 1.2672113140730616
Energy: 1.0304022651658034
Energy: 1.1022010196654235
Energy: 1.0593603370250944
Energy: 1.1022010196654235
Energy: 1.0424721417238445
Energy: 1.1394513485906874
Energy: 1.2949571254332508
Energy: 1.1394513458036304
Energy: 1.1578144169535192
Energy: 1.2059198488493503
Energy: 1.0343683968620074
Energy: 1.2059198488472194
Energy: 1.0316066796232684
Energy: 1.141292424023907
Energy: 1.224474041629456
Energy: 1.141292424023907
Energy: 1.1325085340545025
Energy: 1.142962597801034
Energy: 1.0775784728159021
Energy: 1.1429625977108622
Energy: 1.0413930107633858
Energy: 1.191775390438956
Energy: 1.1399649620288597
Energy: 1.191775390438956
Energy: 1.034453485689914
Energy: 1.2670061652574018
Energy: 1.1306270697104723
Energy: 1.2670061652566915
Energy: 1.1017132482946719
Energy: 1.191507069401688
Energy: 1.0414424718606607
Energy: 1.191507069401688
Energy: 1.0459063295741553
Energy: 1.1121634505814035
Energy: 1.1854723761535733
Energy: 1.1121634505814035
Energy: 1.1954026296805342
Energy: 1.1417136197233821
Energy: 1.0594277783863133
Energy: 1.1417136197233821
Energy: 1.0348890738790835
Energy: 1.1170689270544314
Energy: 1.1154630276359696
Energy: 1.1170689270544314
Energy: 1.1361906884504263
Energy: 1.2058579414232866
Energy: 1.1300562187148957
Energy: 1.205857941401991
Energy: 1.1160073668386994
Energy: 1.1579310483796261
Energy: 1.0301829333623316
Energy: 1.1579310483796261
Energy: 1.0629549756931496
Energy: 1.2010518092073244
Energy: 1.0314292918827985
Energy: 1.2010518092073244
Energy: 1.3064046002602274
Energy: 1.127386729926404
Energy: 1.0398341247574852
Energy: 1.1273867299256937
Energy: 1.0582012709494355
Energy: 1.1973598343250162
Energy: 1.2495634147805588
Energy: 1.197359834324306
Energy: 1.077045401651921
Energy: 1.0564366138844563
Energy: 1.0293471152557792
Energy: 1.0564366138844563
Energy: 1.1023964354853275
Energy: 1.193997797040395
Energy: 1.127578160155209
Energy: 1.193997797039685
Energy: 1.0984183967307204
Energy: 1.2071078236844388
Energy: 1.1285970658797393
Energy: 1.2071078236965156
Energy: 1.090673042113204
Energy: 1.05568480010271
Energy: 1.0286405611001588
Energy: 1.05568480010271
Energy: 1.057780352305253
Energy: 1.279032322427977
Energy: 1.2482951511663247
Energy: 1.279032322427977
Energy: 1.2591446890044364
Energy: 1.1281997241011943
Energy: 1.038747745504407
Energy: 1.1281997241026147
Energy: 1.0582444943961358
Energy: 1.1150393983358937
Energy: 1.029813054792357
Energy: 1.1150393983358937
Energy: 1.0588147080288772
Energy: 1.1827683895251204
Energy: 1.0292782759488497
Energy: 1.1827683895251204
Energy: 1.127278623553288
Energy: 1.2958370880632768
Energy: 1.1278231993800856
Energy: 1.2958370880632768
Energy: 1.0504528042842762
Energy: 1.200520826512649
Energy: 1.312408558211253
Energy: 1.200520826512649

minimum gb energy = 1.0286405611001588 eV
minimum distance =  2.28780316526315 Angstroms
sigma value = 73


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

Energy: 1.0733022532828094
Energy: 1.071867449460178
Energy: 1.2642822926758874
Energy: 1.071867449460178
Energy: 1.0869264697934307
Energy: 1.1699136489263144
Energy: 1.0747940575535453
Energy: 1.1699136489263144
Energy: 1.0517257396638409
Energy: 1.1618887711459343
Energy: 1.0510671744114488
Energy: 1.1618887711459343
Energy: 1.0303445686117016
Energy: 1.169647305655101
Energy: 1.0495810821447125
Energy: 1.169647305655101
Energy: 1.0286661744709562
Energy: 1.1511949557308034
Energy: 1.0517531783047167
Energy: 1.1511949557308034
Energy: 1.0533581857894014
Energy: 1.0949257110256607
Energy: 1.251478621401773
Energy: 1.0949257110256607
Energy: 1.2974363838946095
Energy: 1.2853401825192285
Energy: 1.0751568736713708
Energy: 1.2853401825203556
Energy: 1.0300557409382114
Energy: 1.0715415213549455
Energy: 1.2613754307984173
Energy: 1.0715415213549455
Energy: 1.2488426215821007
Energy: 1.0727942750844224
Energy: 1.0714238395043523
Energy: 1.0727942750844224
Energy: 1.0508065266812414
Energy: 1.128968247506214
Energy: 1.0506138888930983
Energy: 1.128968247506214
Energy: 1.027709860485316
Energy: 1.0724799766466346
Energy: 1.2489514622224491
Energy: 1.0724799766466346
Energy: 1.1720623692838203
Energy: 1.1583011626785344
Energy: 1.0296654577942743
Energy: 1.1583011626785344
Energy: 1.0495054783441187
Energy: 1.145164317470332
Energy: 1.2678177601412335
Energy: 1.145164317470332
Energy: 1.3394409777937561
Energy: 1.1466097921229728
Energy: 1.0501987137999793
Energy: 1.1466097921229728
Energy: 1.0287522372141713
Energy: 1.1078664560876441
Energy: 1.171323352717323
Energy: 1.1078664560876441
Energy: 1.24880754907062
Energy: 1.072665273725908
Energy: 1.0304153177227968
Energy: 1.0726652737270352
Energy: 1.075040143767702
Energy: 1.0742453599239812
Energy: 1.0513737422016198
Energy: 1.0742453599239812
Energy: 1.0756800639592068
Energy: 1.0726399552912238
Energy: 1.0519200033508376
Energy: 1.0726399552912238
Energy: 1.1526320266405456
Energy: 1.0715006992174698
Energy: 1.0277210096186566
Energy: 1.0715006992174698
Energy: 1.0746263088477161
Energy: 1.1074930612933684
Energy: 1.296931602911556
Energy: 1.1074930612933684
Energy: 1.342256961013301
Energy: 1.0644210481694636
Energy: 1.0529834901728699
Energy: 1.0644210481683365
Energy: 1.0498881480927142
Energy: 1.148816183173008
Energy: 1.2040998884630125
Energy: 1.148816183173008

minimum gb energy = 1.027709860485316 eV
minimum distance =  2.29288114722479 Angstroms
sigma value = 7


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

Energy: 1.0981261029196743
Energy: 1.0962837952752504
Energy: 1.3156986779984376
Energy: 1.0962837952752504
Energy: 1.1560945989338671
Energy: 1.083140180953238
Energy: 1.071630147404915
Energy: 1.083140180953238
Energy: 1.0503836816435588
Energy: 1.0965269547875478
Energy: 1.0715484788928418
Energy: 1.0965269547859537
Energy: 1.0570957518346193
Energy: 1.1665135372447875
Energy: 1.081284122147625
Energy: 1.1665135372447875
Energy: 1.0516790775950349
Energy: 1.1378939936152679
Energy: 1.0725940031205525
Energy: 1.137893993616065
Energy: 1.0541387055252158
Energy: 1.098585508422818
Energy: 1.215634170976678
Energy: 1.098585508422818
Energy: 1.1766165055139017
Energy: 1.2149541196777107
Energy: 1.0721410606906794
Energy: 1.2149541196777107
Energy: 1.0538091969159067
Energy: 1.097902890336213
Energy: 1.2777395051925882
Energy: 1.097902890336213
Energy: 1.1832008030090861
Energy: 1.152541700532783
Energy: 1.06825355061499
Energy: 1.152541700532783
Energy: 1.068300619986462
Energy: 1.155829242470904
Energy: 1.1632678416309414
Energy: 1.155829242470904
Energy: 1.0537915385464958
Energy: 1.2490264314957167
Energy: 1.065148576373201
Energy: 1.2490264315020927
Energy: 1.1017027593343933
Energy: 1.1388036245144901
Energy: 1.0611568430252847
Energy: 1.1388036245144901
Energy: 1.0957470901697632
Energy: 1.0990619775795156
Energy: 1.0644489626131166
Energy: 1.0990619775795156
Energy: 1.0713373680619571
Energy: 1.089303430736238
Energy: 1.0606031654193389
Energy: 1.089303430736238
Energy: 1.058593084841883
Energy: 1.238832917412686
Energy: 1.177104128948944
Energy: 1.2388329174118893
Energy: 1.3428265723924997
Energy: 1.089350805210208
Energy: 1.0643393169348707
Energy: 1.089350805210208
Energy: 1.0679603293605284
Energy: 1.1479354830557154
Energy: 1.106154015850896
Energy: 1.1479354830557154
Energy: 1.0721052168084018
Energy: 1.1406385876244498
Energy: 1.060886233177963
Energy: 1.1406385876244498
Energy: 1.068120429795541
Energy: 1.0984428013034957
Energy: 1.0643905193491099
Energy: 1.0984428012995107
Energy: 1.059684631717764
Energy: 1.1375913463659528
Energy: 1.061205413315248
Energy: 1.1375913463659528
Energy: 1.0538979522100727
Energy: 1.2380126662549806
Energy: 1.068254281531232
Energy: 1.2380126662549806
Energy: 1.0531465618684037
Energy: 1.0965603882135748
Energy: 1.1590464129446787
Energy: 1.0965603882143717
Energy: 1.2453226804137132
Energy: 1.1539749443837037
Energy: 1.0648228880975141
Energy: 1.1539749443837037
Energy: 1.100946463380183
Energy: 1.097583496601989
Energy: 1.2169383089235888
Energy: 1.097583496601989
Energy: 1.0907816804457737
Energy: 1.138375888972822
Energy: 1.0645628475334605
Energy: 1.138375888972822
Energy: 1.057425155473305
Energy: 1.0971937353585575
Energy: 1.0595817551378814
Energy: 1.0971937353593544
Energy: 1.0511776114578875
Energy: 1.1570826328535389
Energy: 1.1519179749180017
Energy: 1.1570826328535389
Energy: 1.0569831989939227
Energy: 1.1475838909986849
Energy: 1.0815046282008327
Energy: 1.147583890999482
Energy: 1.0496046399427355
Energy: 1.0973538573216062
Energy: 1.1950335224133213
Energy: 1.0973538573216062
Energy: 1.137377904014086
Energy: 1.0884150999376232
Energy: 1.0711006457624033
Energy: 1.0884150999376232
Energy: 1.0498311036817483
Energy: 1.0969405967879406
Energy: 1.2313183673027301
Energy: 1.0969405967879406

minimum gb energy = 1.0496046399427355 eV
minimum distance =  2.28219278613857 Angstroms
sigma value = 29


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

Energy: 1.034972806162814
Energy: 1.0449556574826733
Energy: 1.0017326450442985
Energy: 1.0449556574826733
Energy: 1.0140973328692018
Energy: 1.0358131130964487
Energy: 1.037642272294423
Energy: 1.0358131130961714
Energy: 1.027258633702327
Energy: 1.1033918895895942
Energy: 1.0881283725429796
Energy: 1.1033918895895942
Energy: 1.0374801871560495
Energy: 1.1319033184321787
Energy: 1.0378769225257671
Energy: 1.1319033184321787
Energy: 1.0348347028779024
Energy: 1.0805173307838094
Energy: 1.0279231775261952
Energy: 1.0805173307838094
Energy: 1.0013187297131425
Energy: 1.1003130790647002
Energy: 1.0016662481422132
Energy: 1.1003130790644227
Energy: 1.0012268769046744
Energy: 1.0805089071949217
Energy: 1.0348606958995246
Energy: 1.0805089071949217
Energy: 1.0378712876562326
Energy: 1.1320392966231454
Energy: 1.0373788543021907
Energy: 1.1320392966228834
Energy: 1.088225714662944
Energy: 1.103361314499425
Energy: 1.0148506405385933
Energy: 1.103361314499425

minimum gb energy = 1.0012268769046744 eV
minimum distance =  2.3311197265005 Angstroms
sigma value = 5


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

Energy: 0.9740756478753042
Energy: 1.0096745098184805
Energy: 1.161583870317629
Energy: 1.0096745098184805
Energy: 0.9717012786262798
Energy: 1.0484689802221778
Energy: 0.9469195757342794
Energy: 1.0484689802214249
Energy: 0.9418501085367621
Energy: 1.0024566300857558
Energy: 1.143415480361432
Energy: 1.0024566300857558
Energy: 0.9489703484808776
Energy: 1.0406527500726492
Energy: 0.9596652200032244
Energy: 1.0406527500726492
Energy: 0.9535313717780692
Energy: 1.0487407873597991
Energy: 1.1133829990762496
Energy: 1.048740787360552
Energy: 1.0234451845103292
Energy: 1.0122132815154574
Energy: 0.9395891539463547
Energy: 1.0122132815154574
Energy: 0.9419238166672674
Energy: 1.0464435349611279
Energy: 0.9481193800180873
Energy: 1.0464435349611279
Energy: 0.9397602298576385
Energy: 1.0125132150296232
Energy: 0.945777204343283
Energy: 1.0125132150296232
Energy: 0.9539860049941148
Energy: 1.0466015056305038
Energy: 0.9607725317105638
Energy: 1.0466015056305038
Energy: 0.9512873529846593
Energy: 1.0465049694746469
Energy: 0.9467894756121354
Energy: 1.0465049694746469
Energy: 0.9745653217818468
Energy: 1.0126281065337097
Energy: 0.9444091210913769
Energy: 1.0126281065337097
Energy: 0.9437320462128373
Energy: 1.0683594569038894
Energy: 1.0098182181766489
Energy: 1.0683594569038894
Energy: 1.0265402946177322
Energy: 1.0109178646400152
Energy: 1.013187587057222
Energy: 1.0109178646400152
Energy: 0.9528649862071751
Energy: 1.0098689771970615
Energy: 0.9827224937911524
Energy: 1.0098689771978142
Energy: 0.9878341578054128
Energy: 0.9484926000999434
Energy: 0.9440685570163858
Energy: 0.9484926000999434
Energy: 0.9552301251302139
Energy: 1.0019518897878088
Energy: 1.0045455293098229
Energy: 1.0019518897885618
Energy: 1.1256328806996005
Energy: 0.9794346906584531
Energy: 0.953588165318559
Energy: 0.979434690659206
Energy: 0.9545713028530576
Energy: 1.011786208290188
Energy: 1.1107255605500372
Energy: 1.0117862082886822
Energy: 0.9517052639485452
Energy: 1.0477048891143321
Energy: 0.939080365150899
Energy: 1.0477048891143321
Energy: 0.942133172402495
Energy: 1.0537154643189273
Energy: 0.9845228764823447
Energy: 1.0537154643189273
Energy: 0.9467729905733727
Energy: 1.0383722894136291
Energy: 0.9495518081278519
Energy: 1.0383722894136291
Energy: 0.9561486778866957
Energy: 1.0469140937209085
Energy: 0.9569272336539593
Energy: 1.0469140937163914
Energy: 0.9468032850719301
Energy: 1.0113975130747437
Energy: 0.9396084425590906
Energy: 1.0113975130747437
Energy: 1.0097215073972872
Energy: 1.001721748911766
Energy: 0.9427980452758086
Energy: 1.0017217489140247
Energy: 1.0203561180247083
Energy: 0.9900598527109247
Energy: 0.9488496025382305
Energy: 0.9900598527109247
Energy: 0.9905426551015303
Energy: 1.0108243764764089
Energy: 0.9540301588048643
Energy: 1.010824376489207
Energy: 0.951443426202136
Energy: 1.0332272622997474
Energy: 0.9752167336582033
Energy: 1.0332272623005
Energy: 1.0185110074520414
Energy: 1.0469020200333665
Energy: 0.9549940707705338
Energy: 1.0469020200333665
Energy: 0.9432847248960462
Energy: 0.9576110263688795
Energy: 1.135006899277624
Energy: 0.9576110263688795
Energy: 1.0984595486523165
Energy: 1.0101914260893567
Energy: 0.9546070519444788
Energy: 1.0101914260901097
Energy: 0.9515010007209173
Energy: 0.9750724017288497
Energy: 1.0942927111862175
Energy: 0.9750724017288497
Energy: 1.1152147797128507
Energy: 1.0356393307612017
Energy: 0.9425443103548636
Energy: 1.0356393307612017
Energy: 0.9566721261609011
Energy: 1.041607208598975
Energy: 0.9463067984095075
Energy: 1.041607208598975

minimum gb energy = 0.939080365150899 eV
minimum distance =  2.28205190337525 Angstroms
sigma value = 1


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

Energy: 0.9593680554435381
Energy: 0.9581777615134506
Energy: 0.9847193408077812
Energy: 0.9581777615134506
Energy: 0.9580552754401515
Energy: 1.0070854950925343
Energy: 0.9028903649016509
Energy: 1.0070854950925343
Energy: 0.8827753869766714
Energy: 0.9588772178082238
Energy: 1.305710564400072
Energy: 0.9588772178082238
Energy: 0.9461773690544535
Energy: 1.0068938579516251
Energy: 0.8953080953299707
Energy: 1.0068938579516251
Energy: 0.8810191807284274
Energy: 1.0504373437744783
Energy: 1.1254459869054236
Energy: 1.0504373437744783
Energy: 0.881215892254518
Energy: 1.0050313862438627
Energy: 0.8950407743451417
Energy: 1.0050313862438627
Energy: 0.8808241558321306
Energy: 1.0517052597384067
Energy: 0.9669475181826687
Energy: 1.0517052597384067
Energy: 0.8812491940286917
Energy: 0.9624248869716643
Energy: 0.9358843825482533
Energy: 0.9624248869716643
Energy: 0.9575212140370849
Energy: 0.9417638721828095
Energy: 0.9237087852891829
Energy: 0.9417638721828095
Energy: 0.9575077477929086
Energy: 0.9420664867764309
Energy: 0.9486921393770101
Energy: 0.9420664867764309
Energy: 0.8813693646696907
Energy: 0.9624164424045019
Energy: 0.9235422479333745
Energy: 0.9624164424045019
Energy: 0.8810744724133928
Energy: 1.0519305234879028
Energy: 0.9671677465852577
Energy: 1.0519305234879028
Energy: 0.8815455858302145
Energy: 1.004717468591395
Energy: 0.8947118277687875
Energy: 1.004717468591395
Energy: 0.8809876146608573
Energy: 1.050659241711951
Energy: 1.0792213821335754
Energy: 1.050659241711951
Energy: 0.9461842663572863
Energy: 1.0070483127721697
Energy: 0.8945545868563215
Energy: 1.0070483127721697
Energy: 0.882480589344741
Energy: 0.9584571568097883
Energy: 1.0007431148541792
Energy: 0.9584571568108292
Energy: 0.9581281167456803
Energy: 1.0069666716419827
Energy: 0.9028581077121736
Energy: 1.0069666716419827
Energy: 0.9593680554435381
Energy: 0.9581777615134506
Energy: 0.984719340685105
Energy: 0.9581777615134506
Energy: 0.9580552754401515
Energy: 1.0070854950925343
Energy: 0.9028903649016509
Energy: 1.0070854950925343
Energy: 0.8827753869766714
Energy: 0.9588772178082238
Energy: 1.305710564400072
Energy: 0.9588772178082238
Energy: 0.9461773690544535
Energy: 1.0068938579516251
Energy: 0.8953080953299707
Energy: 1.0068938579516251
Energy: 0.8810191807284274
Energy: 1.0504373437744783
Energy: 1.111603767706662
Energy: 1.0504373437744783
Energy: 0.881215892254518
Energy: 1.0050313862438627
Energy: 0.8950407743451417
Energy: 1.0050313862438627
Energy: 0.8808241558321306
Energy: 1.0517052597384067
Energy: 0.9177929399084547
Energy: 1.0517052597384067

minimum gb energy = 0.8808241558321306 eV
minimum distance =  2.29590890142106 Angstroms
sigma value = 17


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

Energy: 0.9346950125542057
Energy: 0.932725091675032
Energy: 1.1495577626918971
Energy: 0.9327250916743887
Energy: 1.0658177600549457
Energy: 0.9124052231784139
Energy: 0.8941346246574748
Energy: 0.9124052231803149
Energy: 0.8848197644970717
Energy: 0.9213606849301901
Energy: 1.1398748217184924
Energy: 0.9213606849295467
Energy: 0.968980068607513
Energy: 0.8777564237282608
Energy: 0.8824408441449421
Energy: 0.8777564237289041
Energy: 0.8775710054440821
Energy: 0.9940703055171455
Energy: 1.139757106895912
Energy: 0.9940703055171455
Energy: 0.8897119725140453
Energy: 0.8901773538459132
Energy: 0.8958581582007277
Energy: 0.8901773538452699
Energy: 0.8892327412613471
Energy: 0.9787670261433289
Energy: 0.9541898277498947
Energy: 0.9787670261433289
Energy: 0.8896351325464342
Energy: 0.9609225546814237
Energy: 0.8817679442421379
Energy: 0.9609225546820671
Energy: 0.9371574461649561
Energy: 0.9520080163691119
Energy: 0.9236913977848537
Energy: 0.9520080163691119
Energy: 0.9343966454846296
Energy: 0.9505135542925243
Energy: 0.8878040321024238
Energy: 0.9505135542918809
Energy: 0.8831160393751264
Energy: 0.9294864847556726
Energy: 0.8818197628568004
Energy: 0.9294864847550294
Energy: 0.8864582022160804
Energy: 0.9640743198840829
Energy: 0.8838256254980837
Energy: 0.9640743198840829
Energy: 0.8891326794655663
Energy: 0.9426075443311562
Energy: 0.891530810599265
Energy: 0.9426075443317996
Energy: 0.8860314235313609
Energy: 0.9936872806727084
Energy: 0.9325280675138198
Energy: 0.9936872806733517
Energy: 0.8853298295564176
Energy: 0.8826125519221609
Energy: 0.9416012284919302
Energy: 0.8826125519343853
Energy: 0.8838558901383358
Energy: 0.9226036140129685
Energy: 1.1323008399085182
Energy: 0.9226036140129685
Energy: 0.9097011965689071
Energy: 0.883140758722548
Energy: 0.8917584695008127
Energy: 0.8831407587219046
Energy: 0.8785900186682777
Energy: 0.9333696974366218
Energy: 0.9001631138127
Energy: 0.9333696974366218
Energy: 1.0382772171927246
Energy: 0.966226294099814
Energy: 0.8927099234438649
Energy: 0.9662262940991706
Energy: 0.8918972922530144
Energy: 0.9219226100614677
Energy: 1.0628285675197988
Energy: 0.9219226100608243
Energy: 1.0327888423692502
Energy: 0.9053195617154464
Energy: 0.8925177035019007
Energy: 0.9053195617141596
Energy: 0.8928882676801284
Energy: 0.9697698963138989
Energy: 1.028685607570149
Energy: 0.9697698963138989
Energy: 1.0470715347090394
Energy: 0.8896427437472436
Energy: 0.8934397771905285
Energy: 0.8896427441504662
Energy: 0.8933035933818607
Energy: 0.9804328748520744
Energy: 1.0677854850009403
Energy: 0.9804328748520744
Energy: 0.9184822371252852
Energy: 0.9343170332861234
Energy: 0.8802259025930643
Energy: 0.9343170332854801
Energy: 0.8883599151488712
Energy: 0.9958221942337492
Energy: 0.9267518915770956
Energy: 0.9958221942337492
Energy: 1.0311989560489656
Energy: 0.9443626193929093
Energy: 0.8850690725046755
Energy: 0.9443626193929093
Energy: 0.9452492610111883
Energy: 1.092322772627413
Energy: 0.8827506851165063
Energy: 1.092322772627413
Energy: 0.9495140116434437
Energy: 0.9933327006804915
Energy: 0.8894536705823228
Energy: 0.9933327006804915
Energy: 0.8885375004556452
Energy: 0.9421434993945178
Energy: 0.9424500855171581
Energy: 0.9421434993951612
Energy: 0.8816154431740213
Energy: 0.9932586554581794
Energy: 0.8908655332540348
Energy: 0.9932586554581794
Energy: 0.8824905370550382
Energy: 0.9299661762805027
Energy: 0.8892401541807655
Energy: 0.9299661762798594
Energy: 0.8855905294030998
Energy: 0.9508260412896368
Energy: 1.0656119652221485
Energy: 0.9508260412896368
Energy: 0.9619377851043425
Energy: 1.1069994211898126
Energy: 0.9032138119333781
Energy: 1.1069994211898126
Energy: 0.8799565683364665
Energy: 0.9344947882348956
Energy: 0.9197295324502207
Energy: 0.9344947882348956
Energy: 0.9583701198159047
Energy: 0.9800080138257175
Energy: 0.8972087756923656
Energy: 0.9800080138257175
Energy: 0.8937022577407223
Energy: 0.8890316909986613
Energy: 0.8946495721499985
Energy: 0.8890316909986613
Energy: 1.136738557503898
Energy: 0.9964567836838538
Energy: 0.8889980795899931
Energy: 0.9964567836838538

minimum gb energy = 0.8775710054440821 eV
minimum distance =  2.2855521393849 Angstroms
sigma value = 89


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

Energy: 1.0057854363291072
Energy: 1.002214628169174
Energy: 0.8508446961211916
Energy: 1.0022146281674906
Energy: 0.9896481137284774
Energy: 0.839395073000092
Energy: 0.831466294949522
Energy: 0.839395073000092
Energy: 0.846449660140832
Energy: 0.9701471577141869
Energy: 1.2133932923398656
Energy: 0.9701471577141869
Energy: 0.8894027688353936
Energy: 0.8752708335630259
Energy: 0.8461078455772799
Energy: 0.8752708335630259
Energy: 0.8208131761865203
Energy: 0.8994261151672435
Energy: 0.894001490971621
Energy: 0.8994261151672435
Energy: 0.818968748983496
Energy: 0.8105783366902227
Energy: 0.8140976701441927
Energy: 0.8105783366902227
Energy: 0.8339134644999324
Energy: 0.9698935689730233
Energy: 0.8093633230781805
Energy: 0.9698935689730233
Energy: 0.8286476745718708
Energy: 0.9700637537586425
Energy: 0.8456453704870686
Energy: 0.9700637537603259
Energy: 0.8455712760684362
Energy: 0.899419089708743
Energy: 0.884839836168333
Energy: 0.899419089708743
Energy: 0.875782760505585
Energy: 0.8953313888129467
Energy: 0.8187790177537545
Energy: 0.8953313888129467
Energy: 1.0040014829347432
Energy: 0.990989199302793
Energy: 0.8202054504569809
Energy: 0.9909891993061598
Energy: 1.0034676700124885
Energy: 0.9711769409552711
Energy: 0.8315694499541042
Energy: 0.9711769409552711
Energy: 0.8450025800751653
Energy: 0.8127021920155885
Energy: 0.8065931292967982
Energy: 0.8127021920155885
Energy: 0.8397454725818363
Energy: 0.8968718000559255
Energy: 0.8439492383544643
Energy: 0.8968718000559255
Energy: 0.8238872791280386
Energy: 0.8128559934662872
Energy: 0.8457411907717354
Energy: 0.8128559934662872

minimum gb energy = 0.8065931292967982 eV
minimum distance =  2.3098128281433 Angstroms
sigma value = 13


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

Energy: 0.8047751176124247
Energy: 1.0551293289310664
Energy: 1.065971191288316
Energy: 1.0551293289310664
Energy: 0.9332863630313589
Energy: 1.0688418584251265
Energy: 0.7676140853480288
Energy: 1.0688418584251265
Energy: 0.773982642517818
Energy: 0.9140906050583922
Energy: 0.9447308235032997
Energy: 0.9140906050583922
Energy: 0.7830320686122607
Energy: 0.9310025767140274
Energy: 0.7628615227109062
Energy: 0.9310025651399074
Energy: 0.7826460113187111
Energy: 0.9768490622914747
Energy: 0.8098242064036619
Energy: 0.9768490622907693
Energy: 0.7752973616787738
Energy: 0.7931430082889783
Energy: 0.7851873603731414
Energy: 0.7931430082889783
Energy: 0.7831833315703506
Energy: 0.9764563973952356
Energy: 1.1745461518817426
Energy: 0.9764563973945298
Energy: 0.76603667650347
Energy: 0.9335925716606301
Energy: 0.7849953058995052
Energy: 0.9335925715245177
Energy: 0.7829027472920537
Energy: 0.9766555058093194
Energy: 0.9969549000718004
Energy: 0.9766555058093194
Energy: 0.9201359135200651
Energy: 0.9927972640789697
Energy: 0.7630536314053283
Energy: 0.992797264131872
Energy: 0.7834310542066766
Energy: 0.8583038737942573
Energy: 0.7799883105675559
Energy: 0.8583038737935517
Energy: 1.0475117809732812
Energy: 0.9923070880839462
Energy: 0.768853648001675
Energy: 0.9923070880846517
Energy: 0.8139508074120195
Energy: 0.7876364977602982
Energy: 0.7866882272313628
Energy: 0.7876364977595928
Energy: 1.0633434859643807
Energy: 0.8575852254963926
Energy: 0.7690490263721139
Energy: 0.8575852254963926
Energy: 0.7795011112282244
Energy: 0.7725470276563428
Energy: 0.7867071975575582
Energy: 0.7725470276366027
Energy: 0.7689388591390737
Energy: 0.8580107014248886
Energy: 0.7710279239329422
Energy: 0.8580107014248886
Energy: 0.780297551045432
Energy: 0.8341798606195575
Energy: 0.7709784295444048
Energy: 0.8341798606195575
Energy: 0.7961238298041955
Energy: 0.8374942917276836
Energy: 0.7939141496570895
Energy: 0.8374942917276836
Energy: 0.7808776173563929
Energy: 0.8381505666472253
Energy: 0.7943253761550908
Energy: 0.8381505666472253
Energy: 0.7805231046729787
Energy: 0.8385538088962154
Energy: 0.7938406518595271
Energy: 0.8385538088962154
Energy: 0.7958448384510509
Energy: 0.837660123219078
Energy: 0.793862607805503
Energy: 0.837660123219078
Energy: 0.7805530608027382
Energy: 0.8347174896589435
Energy: 0.7710975648307754
Energy: 0.8347174896589435
Energy: 0.7688158535310556
Energy: 0.8579413717021275
Energy: 0.7713176825539942
Energy: 0.857941371702833
Energy: 0.7831351963495559
Energy: 0.772109596913623
Energy: 0.7864831510476901
Energy: 0.772109596913623
Energy: 1.0623135918668378
Energy: 0.9917913113595356
Energy: 0.77024217212559
Energy: 0.9917913113595356
Energy: 0.8140015866156869
Energy: 0.7878521664239114
Energy: 0.7836320646294255
Energy: 0.7878521664239114
Energy: 1.0478624526423646
Energy: 0.9925611389715401
Energy: 0.7686798999928603
Energy: 0.9925611389715401
Energy: 0.7833866381606809
Energy: 0.8582951538448353
Energy: 0.7616959344180148
Energy: 0.8582951538462466
Energy: 0.9199173906008101
Energy: 0.9914221253980444
Energy: 0.7630586753527865
Energy: 0.9914221253980444
Energy: 0.7834312428433089
Energy: 0.9765030658776885
Energy: 0.9359464843703301
Energy: 0.9765030638690986
Energy: 0.7659494636049399
Energy: 0.930916491223131
Energy: 0.7850431738585674
Energy: 0.9309164912203248
Energy: 0.7833059637812326
Energy: 0.976785133976563
Energy: 1.0648057977012841
Energy: 0.9767851339779741
Energy: 0.7616523924173071
Energy: 0.9333274519357723
Energy: 0.7851696537196357
Energy: 0.9333281997759364
Energy: 0.7833685709127318
Energy: 0.9776872181359505
Energy: 1.0578541752946464
Energy: 0.9776872180139335
Energy: 0.7867766934511505
Energy: 0.9363493051552951
Energy: 0.7628321977774677
Energy: 0.9363493056158294

minimum gb energy = 0.7616523924173071 eV
minimum distance =  2.2477327809543 Angstroms
sigma value = 37


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

Energy: 0.7415261885931681
Energy: 0.7405284120262132
Energy: 1.017267775424899
Energy: 0.7405284120262132
Energy: 1.175610558834255
Energy: 0.7401189347503375
Energy: 0.7041571534691633
Energy: 0.7401189347491237
Energy: 0.7135766991537209
Energy: 1.0531698189484608
Energy: 1.318592831759949
Energy: 1.0531698189484608
Energy: 0.7033268475734119
Energy: 0.9570719279868671
Energy: 0.7040967608349099
Energy: 0.9570719279868671
Energy: 0.7039104546095015
Energy: 0.9565857099096697
Energy: 0.7033665718968827
Energy: 0.9565857099096697
Energy: 0.6950932009007232
Energy: 0.740129747123603
Energy: 0.7005900788105236
Energy: 0.740129747123603
Energy: 0.7273613276227586
Energy: 1.2067941406609295
Energy: 0.9369919040555639
Energy: 1.2067941406609295
Energy: 0.7030403028198617
Energy: 0.7413351861828723
Energy: 0.744115270252702
Energy: 0.7413351861828723
Energy: 0.703769967991863
Energy: 0.740248984145278
Energy: 1.0609499740002193
Energy: 0.740248984145278
Energy: 1.0203090381996147
Energy: 1.0342840999409055
Energy: 0.7008524909070029
Energy: 1.0342840999469616
Energy: 0.7230054809755829
Energy: 0.9888604425182312
Energy: 0.6979144017068417
Energy: 0.9888604407539728
Energy: 0.9725647653771353
Energy: 0.7404864274743255
Energy: 0.7041315844683231
Energy: 0.7404864274743255
Energy: 0.7037963847346849
Energy: 0.7401739529784185
Energy: 0.6948417663785839
Energy: 0.7401739529784185
Energy: 0.9377738376315746
Energy: 0.9896315483170606
Energy: 0.7033626891199185
Energy: 0.9896315483037074
Energy: 0.7401594101492047
Energy: 0.7787162922345477
Energy: 0.7027982930821083
Energy: 0.7787162922345477
Energy: 0.7407629174723506
Energy: 0.7406037452032492
Energy: 0.7042907867917408
Energy: 0.740603745202049
Energy: 0.7038649863252027
Energy: 1.0369252683195083
Energy: 0.7046093568368169
Energy: 1.0369252683195083
Energy: 0.6978504838812571
Energy: 0.8728732014396201
Energy: 0.7033030272390868
Energy: 0.87287320151
Energy: 0.7045344649331438
Energy: 0.7421687041489166
Energy: 0.7029087819826668
Energy: 0.7421687041489166
Energy: 0.7028685720553359
Energy: 0.7414529081933114
Energy: 0.6975507677664556
Energy: 0.7414529081933114

minimum gb energy = 0.6948417663785839 eV
minimum distance =  2.33036819827062 Angstroms
sigma value = 25


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

Energy: 0.6835056862164688
Energy: 0.9921229436730926
Energy: 0.7544219530777243
Energy: 0.9921229436730926
Energy: 0.9891469356443419
Energy: 0.9995551517243899
Energy: 0.6466158099629495
Energy: 0.9995551517253378
Energy: 0.6403571082004855
Energy: 0.6400492120121214
Energy: 0.8955871731084478
Energy: 0.6400492120121214
Energy: 0.8060569238663063
Energy: 0.9992976460785626
Energy: 0.6466460028951047
Energy: 0.9992976460681355
Energy: 0.645636302312036
Energy: 1.000025501532577
Energy: 0.6214460227849812
Energy: 1.000025501532577
Energy: 0.6224489575287312
Energy: 1.0026471099676006
Energy: 0.6461608941760403
Energy: 1.0026471099676006
Energy: 0.6460250955804723
Energy: 0.8113276498787255
Energy: 0.8373575065587089
Energy: 0.8113276498787255
Energy: 0.6172714110024453
Energy: 0.8498181807246357
Energy: 0.6418582892071323
Energy: 0.8498181807236878
Energy: 0.6456605333185589
Energy: 0.9999453963633256
Energy: 0.9785856814619385
Energy: 0.9999453963623778
Energy: 0.6233387152197469
Energy: 0.8124622059051245
Energy: 0.6846294058266934
Energy: 0.8124622059307076
Energy: 0.6461997069471062
Energy: 0.6401492341818927
Energy: 0.9852608654453904
Energy: 0.6401492341818927
Energy: 0.888403463058059
Energy: 0.924437414929093
Energy: 0.6419094211609462
Energy: 0.9244374149357284
Energy: 0.6458425555083759
Energy: 0.8299141162830425
Energy: 0.8053396713373998
Energy: 0.8299141163029378
Energy: 0.8532016679048474
Energy: 0.8855100542976254
Energy: 0.6470030064432689
Energy: 0.8855100543753114
Energy: 0.64621898202417
Energy: 0.6399877271939491
Energy: 0.6232664937414594
Energy: 0.6399877271939491
Energy: 0.8367210571923684
Energy: 0.9232219587394743
Energy: 0.6443505294654167
Energy: 0.9232219587394743
Energy: 0.6458110744636799
Energy: 0.682241156471733
Energy: 0.6234365493819369
Energy: 0.682241156471733
Energy: 0.8297251092984369
Energy: 0.9984446287218346
Energy: 0.647094169656929
Energy: 0.9984446287218346
Energy: 0.6880956604313697
Energy: 0.811773759167546
Energy: 0.6232073011104694
Energy: 0.811773759167546
Energy: 0.9845224186228597
Energy: 0.9246665108239114
Energy: 0.6499555950150366
Energy: 0.9246665108239114
Energy: 0.6457305880559739
Energy: 0.9220608919163739
Energy: 0.6240893161552459
Energy: 0.9220608919163739
Energy: 0.6398980195548235
Energy: 0.6598373418113214
Energy: 0.6440165042096104
Energy: 0.6598373418113214
Energy: 0.6465118502256364
Energy: 0.8834477320193779
Energy: 0.8607942399767367
Energy: 0.8834477321652922
Energy: 0.618445911441585
Energy: 0.9236746289331632
Energy: 0.6497463062181544
Energy: 0.9236746289331632
Energy: 0.644594404613712
Energy: 0.9223156783479418
Energy: 0.8440073377727344
Energy: 0.9223156684485213
Energy: 0.6229981881343921
Energy: 0.6828311170012907
Energy: 0.6470856453064782
Energy: 0.6828311170022386

minimum gb energy = 0.6172714110024453 eV
minimum distance =  2.33264283836544 Angstroms
sigma value = 41


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

Energy: 0.8745687355981081
Energy: 0.8756527253888429
Energy: 0.5749318164029195
Energy: 0.8756527253888429
Energy: 1.1499486282066085
Energy: 0.8669449325095031
Energy: 0.5745579050530002
Energy: 0.8669449325110574
Energy: 0.5954365911713824
Energy: 0.8591207267335362
Energy: 0.7924970571486032
Energy: 0.8591207267335362
Energy: 0.8602621977200832
Energy: 0.8635408740095679
Energy: 0.5746148828571555
Energy: 0.8635408740095679
Energy: 0.5705332238202647
Energy: 0.8878044457206602
Energy: 0.5971605924146084
Energy: 0.8878044457206602
Energy: 0.7100599053088861
Energy: 0.8664085765139583
Energy: 0.5745913551605523
Energy: 0.8664085765147356
Energy: 0.5736850118651324
Energy: 0.8635643293994786
Energy: 0.7509114254394046
Energy: 0.8635643294072499
Energy: 0.5621753717501315
Energy: 0.7359470893116655
Energy: 0.5713292785254908
Energy: 0.7359470892984719
Energy: 0.5768123113057309
Energy: 0.7355199091044461
Energy: 0.9541819020132852
Energy: 0.735519909410496
Energy: 0.5626427341517724
Energy: 0.8599628997204893
Energy: 0.5963342200183959
Energy: 0.8599628997212664
Energy: 0.5739184599642146
Energy: 0.862444837492035
Energy: 1.014738465548884
Energy: 0.8624448374959206
Energy: 0.5616031653999035
Energy: 0.8778338771863413
Energy: 0.8732232297287885
Energy: 0.8778338771863413
Energy: 0.5768435556300522
Energy: 0.7380627882003049
Energy: 1.0152248203956824
Energy: 0.7380627882383668
Energy: 0.786707321884715
Energy: 0.6642799882408832
Energy: 0.5962036626328476
Energy: 0.6642799882408832
Energy: 0.5737542340269521
Energy: 0.7261066955123826
Energy: 0.8693697092233221
Energy: 0.7261066954945086
Energy: 0.7713382258111195
Energy: 0.7356799019861948
Energy: 0.5713479648500441
Energy: 0.7356799020001655
Energy: 0.5769251203435443
Energy: 0.7362109328148835
Energy: 0.7849985150987892
Energy: 0.736210932812552
Energy: 0.7518402241422345
Energy: 0.6650468229197466
Energy: 0.5745179483046025
Energy: 0.6650468229197466
Energy: 0.5737585625872166
Energy: 0.5959146789711792
Energy: 0.561514761312297
Energy: 0.5959146789711792
Energy: 0.748240900716891
Energy: 0.7338525836976741
Energy: 0.5800677694725209
Energy: 0.7338525836091336
Energy: 0.5987462753154541
Energy: 0.5964677368636214
Energy: 0.5689008167448986
Energy: 0.5964677368643986
Energy: 1.0126862125687182
Energy: 0.6124429374470757
Energy: 0.5745670115985049
Energy: 0.6124429374439672
Energy: 0.871673900790185
Energy: 0.7358226460434295
Energy: 0.5614641659418564
Energy: 0.7358226460449839
Energy: 0.8729979625407945
Energy: 0.7358613662713985
Energy: 0.5801134270588563
Energy: 0.7358613685070036
Energy: 0.598741428283708
Energy: 0.6616261619667664
Energy: 0.5626215939093361
Energy: 0.6616261619667664
Energy: 0.8645324882278069
Energy: 0.6119916011195015
Energy: 0.5745416313055639
Energy: 0.6119916011233872
Energy: 0.5736874212752662
Energy: 0.7357421622026911
Energy: 0.7683383321426661
Energy: 0.7357421626167095
Energy: 0.5705431755604768
Energy: 0.7353466988650782
Energy: 0.5794924451353376
Energy: 0.7353466988689638
Energy: 0.576591752497941
Energy: 0.6617947900558195
Energy: 0.7568967795507809
Energy: 0.6617947900511567
Energy: 0.5585025869805762
Energy: 0.6323071571840169
Energy: 0.5772006291666407
Energy: 0.6323071571832396
Energy: 0.5788756010142683
Energy: 0.7339685474622522
Energy: 0.7485070235303809
Energy: 0.7339685474474866
Energy: 0.5615459348469816
Energy: 0.5962881998087018
Energy: 0.6028966455262795
Energy: 0.5962881998087018

minimum gb energy = 0.5585025869805762 eV
minimum distance =  2.3239428604369 Angstroms
sigma value = 15


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

Energy: 0.7888247273965121
Energy: 0.5374508810088635
Energy: 0.9448714829182354
Energy: 0.5374508810128137
Energy: 1.1365809333426582
Energy: 0.6535305096276677
Energy: 0.5364760130494416
Energy: 0.6535305171419282
Energy: 0.5568982501846671
Energy: 0.7735586797555849
Energy: 0.7020925104541861
Energy: 0.77355867975756
Energy: 1.021791886047968
Energy: 0.6544853820613862
Energy: 0.5364854511807967
Energy: 0.654485393129798
Energy: 0.5338343406693695
Energy: 0.5406614112904278
Energy: 0.5211189130242766
Energy: 0.5406614112897695
Energy: 0.7781160042194584
Energy: 0.6540577586484273
Energy: 0.5364089796702122
Energy: 0.6540577587681857
Energy: 0.535998505828662
Energy: 0.7867381246486879
Energy: 0.6709967588940567
Energy: 0.7867381246440794
Energy: 0.6400400633478659
Energy: 0.7812221965052314
Energy: 0.5365610484375501
Energy: 0.7812221965025979
Energy: 0.538177713309757
Energy: 0.54739627226096
Energy: 0.8756393923808046
Energy: 0.5473962722596433
Energy: 0.5139169836250418
Energy: 0.5346580519492058
Energy: 0.5342611034028001
Energy: 0.5346580519334055
Energy: 0.5360311289625194
Energy: 0.6538316098957776
Energy: 0.9188018953908396
Energy: 0.6538316098957776
Energy: 0.5149992984968892
Energy: 0.7738900490951051
Energy: 0.5574805671808442
Energy: 0.7738900490944467
Energy: 0.538095674145622
Energy: 0.5478801535073149
Energy: 1.0182966630183006
Energy: 0.5478801535079733
Energy: 0.5137711038869656
Energy: 0.5351411901957565
Energy: 0.7883089548469958
Energy: 0.5351411901753479
Energy: 0.5359526969778253
Energy: 0.6531702793104387
Energy: 1.0221122473000315
Energy: 0.653170277102029
Energy: 0.709684186326093
Energy: 0.6550069490476151
Energy: 0.557490762866099
Energy: 0.6550069491864656
Energy: 0.5384587112953872
Energy: 0.5463207695864226
Energy: 0.9592661438059091
Energy: 0.5463207695857643
Energy: 0.6992536736035958
Energy: 0.7617238808951537
Energy: 0.5345954946763006
Energy: 0.7617238808951537
Energy: 0.5360772304285154
Energy: 0.6559461018620905
Energy: 0.7751905582114489
Energy: 0.6559461011375847
Energy: 0.6920036548597648
Energy: 0.6543130637412978
Energy: 0.5365504926962397
Energy: 0.6543130644710704
Energy: 0.5379656860891281
Energy: 0.6736310666857269
Energy: 0.6389954075548498
Energy: 0.6736310660908547
Energy: 0.6937333209807581
Energy: 0.5454411515587622
Energy: 0.5407810309255144
Energy: 0.5454411515581038
Energy: 0.5360459139360871
Energy: 0.5341780116032457
Energy: 0.5142733636969148
Energy: 0.5341780116637834
Energy: 0.917636354712642
Energy: 0.6580125134036585
Energy: 0.5365647738455634
Energy: 0.6580125135247336
Energy: 0.5587700337136061
Energy: 0.5567734842955339
Energy: 0.5161286210870276
Energy: 0.5567734842968505
Energy: 0.9114344419222028
Energy: 0.545436024623744
Energy: 0.5405769245206898
Energy: 0.545436024629669
Energy: 0.788075868097466
Energy: 0.5349307757230671
Energy: 0.5140263170989352
Energy: 0.5349307757230671
Energy: 1.0245919411509785
Energy: 0.654593105621534
Energy: 0.536667027620656
Energy: 0.6545931056208757
Energy: 0.5590037373489518
Energy: 0.7837641145814956
Energy: 0.5157335919208482
Energy: 0.7837641145814956
Energy: 0.7864305728859653
Energy: 0.5466112188091202
Energy: 0.5400900466081647
Energy: 0.5466112188084618
Energy: 0.536286457926826
Energy: 0.5890319808487074
Energy: 0.6976640553596235
Energy: 0.5890319808546326
Energy: 0.7721290800578713
Energy: 0.5346543136157763
Energy: 0.5363920850162586
Energy: 0.5346543136230181
Energy: 0.538083146130671
Energy: 0.6115677239641261
Energy: 0.6887340247092034
Energy: 0.6115677240068883
Energy: 0.5189071916630136
Energy: 0.6736619824091871
Energy: 0.5406624379460393
Energy: 0.6736619824105039
Energy: 0.5228046475877267
Energy: 0.5885116583734705
Energy: 0.6819552892733004
Energy: 0.5885116583774206
Energy: 0.5118485854301384
Energy: 0.5338862734742055
Energy: 0.5389756672467272
Energy: 0.5338862734735472
Energy: 0.5382617605289818
Energy: 0.6121480461405593
Energy: 0.9152542167629729
Energy: 0.612148038569053

minimum gb energy = 0.5118485854301384 eV
minimum distance =  2.3271809989755 Angstroms
sigma value = 85


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

Energy: 0.8102878700929853
Energy: 0.5417275203537972
Energy: 0.4666058174028198
Energy: 0.5417275204685126
Energy: 1.1744066539935814
Energy: 0.6263605987180443
Energy: 0.49732622098008666
Energy: 0.6263605987174732
Energy: 0.7781560470957997
Energy: 0.6785071477516109
Energy: 0.7549239689199152
Energy: 0.6785071477504688
Energy: 1.050419890245291
Energy: 0.6207923956036866
Energy: 0.49774485288570897
Energy: 0.6207923956065414
Energy: 0.5809699113270472
Energy: 0.6520243226829969
Energy: 0.5221622429224506
Energy: 0.6520243226630256
Energy: 0.8491095920044506
Energy: 0.6775963560506375
Energy: 0.4974833391562901
Energy: 0.6775963560500665
Energy: 0.5501785220790113
Energy: 0.732894549049778
Energy: 0.80066201977495
Energy: 0.732894549049778
Energy: 0.7358253869562607
Energy: 0.5734988021346455
Energy: 0.5055035590765713
Energy: 0.5734988021608978
Energy: 0.5043877542440249
Energy: 0.7040440988849487
Energy: 0.8258137292158877
Energy: 0.7040440988849487
Energy: 0.6271332960065551
Energy: 0.724706397825485
Energy: 0.5506131925118738
Energy: 0.724706397822059
Energy: 0.49936896766042127
Energy: 0.6210466181218678
Energy: 0.8744595793295538
Energy: 0.6210466181230097
Energy: 0.5233870817691934
Energy: 0.5325722264938392
Energy: 0.582181983462118
Energy: 0.5325722264835615
Energy: 0.4970423313631405
Energy: 0.7036833437902763
Energy: 0.9710715737549052
Energy: 0.7036833437902763
Energy: 0.46735696418735595
Energy: 0.5849628863602211
Energy: 0.7774795840412999
Energy: 0.5849628752824003
Energy: 0.49854642378803005
Energy: 0.6209018468897229
Energy: 1.0617376103670433
Energy: 0.6209018468897229
Energy: 0.4650150843939817
Energy: 0.530407002314309
Energy: 0.7480721620149966
Energy: 0.530407002314309
Energy: 0.4969093803997744
Energy: 0.6068531278011109
Energy: 1.0090210316543788
Energy: 0.6068531277999688
Energy: 0.6227561038429356
Energy: 0.585131013997551
Energy: 0.7771264156757137
Energy: 0.5851310202487349
Energy: 0.49845692375357115
Energy: 0.6203977782811088
Energy: 0.9584003025479367
Energy: 0.6203977782833927
Energy: 0.6181907927845862
Energy: 0.532525380041227
Energy: 0.5817142383969285
Energy: 0.532525380041227
Energy: 0.4979584289521678
Energy: 0.566171963357099
Energy: 0.8474367857132121
Energy: 0.5661719633565281
Energy: 0.6651851808269287
Energy: 0.6209685980470293
Energy: 0.5506463273834036
Energy: 0.620968598028771
Energy: 0.5075086619054666
Energy: 0.5732051531216453
Energy: 0.7360447384470337
Energy: 0.5732051390372174
Energy: 0.6721496712621203
Energy: 0.5435270512638893
Energy: 0.5054665659589884
Energy: 0.5435270512718832
Energy: 0.5525104694733846
Energy: 0.5739525962559665
Energy: 0.6279923484809442
Energy: 0.5739525962565376
Energy: 0.8740566004517689
Energy: 0.6209380890918421
Energy: 0.4990668935199712
Energy: 0.620938089092413
Energy: 0.5835691285577186
Energy: 0.5253895726749598
Energy: 0.5209333565802198
Energy: 0.5253895726778017
Energy: 0.8799580952391531
Energy: 0.5436830066535998
Energy: 0.4976189097288717
Energy: 0.5436830066535998
Energy: 0.776258915924488
Energy: 0.583247904214477
Energy: 0.4674845615081328
Energy: 0.5832479036289095
Energy: 1.064043327332417
Energy: 0.620371756603328
Energy: 0.4988951584692909
Energy: 0.6203717566181605
Energy: 0.8089479569613772
Energy: 0.5352421677255549
Energy: 0.4648710375721161
Energy: 0.5352421677261259
Energy: 0.9759638404891214
Energy: 0.5435939334346781
Energy: 0.4975908606857829
Energy: 0.5435939334346781
Energy: 0.7762293834381931
Energy: 0.5829053241994684
Energy: 0.4659951985954589
Energy: 0.5829053241977554
Energy: 0.9574924362488536
Energy: 0.5728243399984708
Energy: 0.49957882711555257
Energy: 0.5728243399978998
Energy: 0.5831903748348113
Energy: 0.5252615230116696
Energy: 0.6177991408993343
Energy: 0.5252615230071148
Energy: 0.7516047226139932
Energy: 0.6002944508027664
Energy: 0.49958282699005024
Energy: 0.6002944508027664
Energy: 0.5521800170842023
Energy: 0.6205486615706692
Energy: 0.6676307093451795
Energy: 0.6205486612841533
Energy: 0.7349627217459087
Energy: 0.5252717090229373
Energy: 0.5080316648161464
Energy: 0.5252717090235084
Energy: 0.5067788572585792
Energy: 0.5258861312312112
Energy: 0.6734959666172428
Energy: 0.5258861312825737
Energy: 0.5292591972040446
Energy: 0.6088830669322516
Energy: 0.5542450780739356
Energy: 0.6088830669179771
Energy: 0.4967561057676795
Energy: 0.6203657268112348
Energy: 0.8761056355187967
Energy: 0.6203657268106637
Energy: 0.5180713973985275
Energy: 0.5252175481121965
Energy: 0.5850315314540364
Energy: 0.5252175481361647
Energy: 0.4985432034578424
Energy: 0.5253868924464106
Energy: 0.8829581626307009
Energy: 0.5253868924475525

minimum gb energy = 0.4648710375721161 eV
minimum distance =  2.33768266745341 Angstroms
sigma value = 113


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

Energy: 0.006740988551835148
Energy: 0.00723442967709679
Energy: 0.7517363567117941
Energy: 0.00723442967709679
Energy: 0.7514110058721013
Energy: 0.24910465075538923
Energy: 0.24920313991659593
Energy: 0.24910465075538923
Energy: 0.006740988552261896
Energy: 0.00723442967709679
Energy: 0.7517363567113672
Energy: 0.00723442967709679
Energy: 0.7514110058721013
Energy: 0.24910465075538923
Energy: 0.24920313991659593
Energy: 0.24910465075538923
Energy: 0.006740988552261896
Energy: 0.00723442967709679
Energy: 0.7517363567113672
Energy: 0.00723442967709679
Energy: 0.7514110058721013
Energy: 0.24910465075538923
Energy: 0.24920313991659593
Energy: 0.24910465075538923

minimum gb energy = 0.006740988551835148 eV
minimum distance =  2.55463122878752 Angstroms
sigma value = 1