Model name: model_name=EAM_Dynamo_WuTrinkle_2009_CuAg__MO_270337113239_005
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=3.492127545177937
cohesive_energy=3.2787006807142314
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: -0.0422236321099957 eV

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

Energy: 0.013576325836416821
Energy: 0.01406837755301533
Energy: 0.17436176861086142
Energy: 0.01406837755301533
Energy: 0.01406837755301533
Energy: 0.5415189136528857
Energy: 0.01406837755301533
Energy: 0.5415189136535578
Energy: 0.17436176861086142
Energy: 0.01406837755301533
Energy: 0.013576325836416821
Energy: 0.01406837755301533
Energy: 0.01406837755301533
Energy: 0.5415189136535578
Energy: 0.01406837755301533
Energy: 0.5415189136535578

minimum gb energy = 0.013576325836416821 eV
minimum distance =  2.37724665106058 Angstroms
sigma value = 1


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

Energy: 0.644995153788907
Energy: 0.6336564621522444
Energy: 0.6197242525810381
Energy: 0.6336564621514291
Energy: 0.6060692315651615
Energy: 0.6361794837485051
Energy: 0.6010083932920482
Energy: 0.6361794837485051
Energy: 0.574597102344531
Energy: 0.6266624138805343
Energy: 0.6057469913067449
Energy: 0.6266624138813495
Energy: 0.5954818365012868
Energy: 0.6404633335167853
Energy: 0.5892183543692756
Energy: 0.6404633335167853
Energy: 0.5972476159395043
Energy: 0.6351105978336783
Energy: 0.6002843526206589
Energy: 0.6351105978336783
Energy: 0.5750680062911656
Energy: 0.6280340867194244
Energy: 0.5711740710953146
Energy: 0.6280340867177941
Energy: 0.6087765702226043
Energy: 0.6284374463642505
Energy: 0.5757900281971797
Energy: 0.6284374463642505
Energy: 0.5417277712174017
Energy: 0.6343747535065687
Energy: 0.5701931169777066
Energy: 0.6343747535073838
Energy: 0.590148036118506
Energy: 0.6086270947426909
Energy: 0.5990264195098152
Energy: 0.6086270947435061
Energy: 0.5681017702467168
Energy: 0.6262554723288001
Energy: 0.5379410085960211
Energy: 0.6262554723288001
Energy: 0.5990781698111964
Energy: 0.6303398323153396
Energy: 0.5902607886782092
Energy: 0.6303398323145246
Energy: 0.5945766317696785
Energy: 0.6341963364165765
Energy: 0.5744535908642123
Energy: 0.6341963364165765
Energy: 0.5995614573733413
Energy: 0.6277443232920084
Energy: 0.6086495158117796
Energy: 0.6277443232911932
Energy: 0.6045213948566739
Energy: 0.6320357376204491
Energy: 0.5847385185498003
Energy: 0.6320357376204491
Energy: 0.6036234307368262
Energy: 0.6350945005865748
Energy: 0.5999030423274613
Energy: 0.6350945005849444
Energy: 0.6043348351909376
Energy: 0.6353361960034809
Energy: 0.6049610245889399
Energy: 0.6353361960018507
Energy: 0.6060911898014102
Energy: 0.6264495971583149
Energy: 0.564510028883154
Energy: 0.6264495971591301
Energy: 0.6010539895805468
Energy: 0.6267085217106155
Energy: 0.6064963819885837
Energy: 0.6267085217098004
Energy: 0.5793327198108226
Energy: 0.6339399076411283
Energy: 0.5741513680089315
Energy: 0.6339399076403132
Energy: 0.6018413853079515
Energy: 0.6020431986822816
Energy: 0.5918322965893371
Energy: 0.6020431986830969
Energy: 0.5692413569538965
Energy: 0.6264910088139147
Energy: 0.5529401601936863
Energy: 0.6264910088139147
Energy: 0.5893723633602431
Energy: 0.6351123625294237
Energy: 0.5997305512480562
Energy: 0.6351123625277934
Energy: 0.6062763809338628
Energy: 0.6348525110150591
Energy: 0.5690375286683665
Energy: 0.6348525110158743
Energy: 0.5874405771859313
Energy: 0.6274199955957201
Energy: 0.5752616204459723
Energy: 0.6274199955957201
Energy: 0.576095677959681
Energy: 0.6281798869505063
Energy: 0.6083009773645448
Energy: 0.6281798869505063
Energy: 0.5995975372546731
Energy: 0.6344369712960848
Energy: 0.568966398637858
Energy: 0.6344369712960848
Energy: 0.5982396387470935
Energy: 0.630858428977851
Energy: 0.5896971110201005
Energy: 0.6308584289786662
Energy: 0.5680011547660243
Energy: 0.6260916100350234
Energy: 0.6000831717148666
Energy: 0.6260916100350234
Energy: 0.6055957200080091
Energy: 0.6362901659670238
Energy: 0.5990061566575896
Energy: 0.6362901659678389
Energy: 0.6085015273994557
Energy: 0.6339123782184822
Energy: 0.5962011594115523
Energy: 0.6339123782192974
Energy: 0.6054048032282114
Energy: 0.630333519357742
Energy: 0.5996068099017768
Energy: 0.6303335193561116
Energy: 0.5885115081209149
Energy: 0.627075449057983
Energy: 0.6048044245781565
Energy: 0.6270754490587982
Energy: 0.5970658751196614
Energy: 0.6404200197785037
Energy: 0.589756191282341
Energy: 0.6404200197776887

minimum gb energy = 0.5379410085960211 eV
minimum distance =  2.2210701999852 Angstroms
sigma value = 1


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

Energy: 0.6897427782448676
Energy: 0.6775478085837857
Energy: 0.6187739420847234
Energy: 0.6775478085791388
Energy: 0.6241554931051118
Energy: 0.6649066756378857
Energy: 0.6287692712806682
Energy: 0.664906675634168
Energy: 0.6001749565247327
Energy: 0.6786320041261008
Energy: 0.6288641508003577
Energy: 0.6786320041261008
Energy: 0.6085810699287368
Energy: 0.6450220341157125
Energy: 0.5972763478343232
Energy: 0.6450220341082772
Energy: 0.6088918637952566
Energy: 0.6671877060387964
Energy: 0.632272520376044
Energy: 0.6671877060397259
Energy: 0.6382116031388152
Energy: 0.6671055790169521
Energy: 0.6010872959044248
Energy: 0.6671055790169521
Energy: 0.6238587552454066
Energy: 0.6448273605828624
Energy: 0.6206498475994291
Energy: 0.6448273605800742
Energy: 0.5621775338664227
Energy: 0.6778336900939445
Energy: 0.5943781739894063
Energy: 0.6778336900920856
Energy: 0.6095359324589928
Energy: 0.6378882460205689
Energy: 0.6286768140396932
Energy: 0.6378882460177807
Energy: 0.6021484769409831
Energy: 0.677833736690808
Energy: 0.6081802051713237
Energy: 0.677833736684302
Energy: 0.6238758943236499
Energy: 0.6536048269177984
Energy: 0.6248528558343975
Energy: 0.6536048269168689
Energy: 0.5861145507782053
Energy: 0.6720905123230421
Energy: 0.6350926877177929
Energy: 0.6720905123239715
Energy: 0.6396477392053606
Energy: 0.6655799343574639
Energy: 0.6244276050029561
Energy: 0.665579934360252
Energy: 0.6392958314714297
Energy: 0.6655600213087088
Energy: 0.6320784820549421
Energy: 0.6655600213031323
Energy: 0.5859993859981192
Energy: 0.6719892122870779
Energy: 0.6343900443174003
Energy: 0.6719892122796426
Energy: 0.6239643474316261
Energy: 0.6535306253481258
Energy: 0.6206635176426623
Energy: 0.6535306253518434
Energy: 0.6021596533192368
Energy: 0.6778664534346576
Energy: 0.6081211199393523
Energy: 0.6778664534346576
Energy: 0.6093928328052786
Energy: 0.6379167074156423
Energy: 0.6286797440349877
Energy: 0.6379167074156423
Energy: 0.5621812209668052
Energy: 0.6781327475870511
Energy: 0.5943559293965203
Energy: 0.6781327475861216
Energy: 0.623958050726071
Energy: 0.6445654701936943
Energy: 0.6025608439191764
Energy: 0.6445654701946236
Energy: 0.6382955008808477
Energy: 0.667192618031427
Energy: 0.614988204510397
Energy: 0.6671926180304975
Energy: 0.6085794339712233
Energy: 0.6671662871650761
Energy: 0.6210694714437368
Energy: 0.6671662871604289
Energy: 0.6087789803328248
Energy: 0.6450438483443154
Energy: 0.6205036192687267
Energy: 0.6450438483471036
Energy: 0.600230247309359
Energy: 0.6781719504903828
Energy: 0.6245794811217847
Energy: 0.6781719504922415
Energy: 0.6241806579174257
Energy: 0.6649453562997211
Energy: 0.6287087368148316
Energy: 0.6649453562960036
Energy: 0.6897427782439383
Energy: 0.6775478085837857
Energy: 0.6520207807955058
Energy: 0.6775478085791388
Energy: 0.6241554931051118
Energy: 0.6649066756378857
Energy: 0.6287692712806682
Energy: 0.664906675634168
Energy: 0.6001749565238033
Energy: 0.6786320041261008
Energy: 0.6288641508003577
Energy: 0.6786320041261008
Energy: 0.6085810699287368
Energy: 0.6450220341147831
Energy: 0.600007861261383
Energy: 0.6450220341082772

minimum gb energy = 0.5621775338664227 eV
minimum distance =  2.19323106771659 Angstroms
sigma value = 25


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

Energy: 0.6579889732647857
Energy: 0.7108598025362829
Energy: 0.6929880841250562
Energy: 0.7108598025362829
Energy: 0.6660148199033594
Energy: 0.6894101822059704
Energy: 0.645154953211807
Energy: 0.6894101822059704
Energy: 0.6340521432409482
Energy: 0.72917379739481
Energy: 0.6447590617559374
Energy: 0.7291737973958903
Energy: 0.6427792033114195
Energy: 0.69416553105094
Energy: 0.6254816130503792
Energy: 0.6941655310520204
Energy: 0.6267256944286905
Energy: 0.7111278316882585
Energy: 0.6514558553024606
Energy: 0.7111278316882585
Energy: 0.6797582101865306
Energy: 0.7291486595897542
Energy: 0.6296667746170836
Energy: 0.7291486595897542
Energy: 0.6484105727386456
Energy: 0.6464631522528138
Energy: 0.6419818568977864
Energy: 0.6464631522538943
Energy: 0.7017567422695788
Energy: 0.7116778630903627
Energy: 0.5992049711771619
Energy: 0.7116778630903627
Energy: 0.6403068636971789
Energy: 0.6874268173481511
Energy: 0.6482502506119001
Energy: 0.6874268173470707
Energy: 0.6442311122558046
Energy: 0.7296625987521187
Energy: 0.6189468494060179
Energy: 0.7296625987521187
Energy: 0.6597268526312304
Energy: 0.7106477318747315
Energy: 0.64439320421778
Energy: 0.7106477318747315
Energy: 0.626261104085698
Energy: 0.7112159862020301
Energy: 0.6444079366703552
Energy: 0.7112159862020301
Energy: 0.6446422628150418
Energy: 0.6933433596518176
Energy: 0.6200345794752455
Energy: 0.6933433596518176
Energy: 0.6409246636350888
Energy: 0.6444100039603585
Energy: 0.6660907095197862
Energy: 0.644410003959278
Energy: 0.6173003463355397
Energy: 0.7111517760239688
Energy: 0.5978478540903558
Energy: 0.7111517760239688
Energy: 0.6447517159081253
Energy: 0.6473725869892862
Energy: 0.6254532737888475
Energy: 0.6473725869903668
Energy: 0.5890359091130806
Energy: 0.7292845428096928
Energy: 0.5887108286422047
Energy: 0.7292845428096928
Energy: 0.6253317055549684
Energy: 0.7142138787031536
Energy: 0.6430485576693864
Energy: 0.7142138787031536
Energy: 0.61797982649223
Energy: 0.6933803455637272
Energy: 0.6268329006515438
Energy: 0.6933803455637272
Energy: 0.6301037247781816
Energy: 0.7289526074475521
Energy: 0.6462847294373018
Energy: 0.7289526074475521
Energy: 0.651694597364743
Energy: 0.6841646919596129
Energy: 0.6497490329808169
Energy: 0.6841646919596129
Energy: 0.6579668436056417
Energy: 0.7111618099823611
Energy: 0.6743990862687629
Energy: 0.7111618099823611
Energy: 0.6669118504483933
Energy: 0.6895099523931192
Energy: 0.6452579576401511
Energy: 0.6895099523931192
Energy: 0.6208912229553775
Energy: 0.7295047167425207
Energy: 0.6441784565182471
Energy: 0.7295047167425207
Energy: 0.6446175796707885
Energy: 0.6981715487737377
Energy: 0.6245815248581912
Energy: 0.6981715487747936

minimum gb energy = 0.5887108286422047 eV
minimum distance =  2.18947596278833 Angstroms
sigma value = 9


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

Energy: 0.6988583706763903
Energy: 0.6981648595086924
Energy: 0.7403953255377079
Energy: 0.6981648595048258
Energy: 0.6743008418080342
Energy: 0.7354661792568703
Energy: 0.6888585689996513
Energy: 0.7354661792581594
Energy: 0.6231502658841498
Energy: 0.6975502344417521
Energy: 0.6908940802689888
Energy: 0.6975502344430409
Energy: 0.6941067162055767
Energy: 0.7482279137878328
Energy: 0.6348975032377988
Energy: 0.7482279137878328
Energy: 0.7344481538604213
Energy: 0.734665067901486
Energy: 0.6785670170232733
Energy: 0.7346650678989083
Energy: 0.6154377838737568
Energy: 0.6944232537351217
Energy: 0.6352490429914135
Energy: 0.694423253731255
Energy: 0.6936418093960081
Energy: 0.635099767180027
Energy: 0.6355045540369878
Energy: 0.6350997671813159
Energy: 0.6794498123763938
Energy: 0.6944312941109481
Energy: 0.6301336883818678
Energy: 0.6944312941109481
Energy: 0.6936229556336538
Energy: 0.7353228622718572
Energy: 0.6894693394906196
Energy: 0.7353228622705683
Energy: 0.6959635610117836
Energy: 0.6984728395083846
Energy: 0.6352622540330995
Energy: 0.6984728395083846
Energy: 0.6542199226811636
Energy: 0.7339972366679709
Energy: 0.6908048738820598
Energy: 0.7339972366653932
Energy: 0.6942129965441383
Energy: 0.7166972908692846
Energy: 0.6345986113447496
Energy: 0.7166972908692846
Energy: 0.6153579235237815
Energy: 0.6983194266744598
Energy: 0.6566237796197137
Energy: 0.6983194266744598
Energy: 0.6655978142280132
Energy: 0.6983351603150405
Energy: 0.689095926362875
Energy: 0.6983351603163293
Energy: 0.6153569287301789
Energy: 0.6984076671306789
Energy: 0.6792816685528487
Energy: 0.6984076671306789
Energy: 0.6937943805176513
Energy: 0.7166926359712774
Energy: 0.6350747169103407
Energy: 0.7166926359751441
Energy: 0.6542398910457569
Energy: 0.7339332885287768
Energy: 0.6576658569474004
Energy: 0.7339332885313546
Energy: 0.6958554799251584
Energy: 0.6988390187326532
Energy: 0.6351686997379342
Energy: 0.698839018733942
Energy: 0.6935878959556319
Energy: 0.7353601267837143
Energy: 0.6585383896432064
Energy: 0.7353601267811366
Energy: 0.679651921893601
Energy: 0.6943879235221323
Energy: 0.6301657695575057
Energy: 0.6943879235234212
Energy: 0.6934436006555603
Energy: 0.6351382653787107
Energy: 0.6354846377554723
Energy: 0.6351382653787107

minimum gb energy = 0.6153569287301789 eV
minimum distance =  2.27682368059918 Angstroms
sigma value = 25


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

Energy: 0.6622348672277986
Energy: 0.8069803220644692
Energy: 0.7234764966251853
Energy: 0.8069803220644692
Energy: 0.6522300495633228
Energy: 0.7461979380767184
Energy: 0.6447455358171758
Energy: 0.7461979380783123
Energy: 0.6454921593827081
Energy: 0.7615841007705966
Energy: 0.6446428258254205
Energy: 0.7615841007721906
Energy: 0.6626452484961851
Energy: 0.7470405263675544
Energy: 0.7323365832706272
Energy: 0.7470405263659606
Energy: 0.7301091359017063
Energy: 0.6528052132549678
Energy: 0.6892123299930336
Energy: 0.6528052132549678
Energy: 0.6478636002759744
Energy: 0.8017172527729567
Energy: 0.6470239804276235
Energy: 0.8017172527729567
Energy: 0.6800306770034449
Energy: 0.7433008692741685
Energy: 0.6451714920400177
Energy: 0.7433008692725748
Energy: 0.7247693999259573
Energy: 0.6457907778752271
Energy: 0.6646430127139509
Energy: 0.6457907778688513
Energy: 0.6446401873886681
Energy: 0.7440576135888014
Energy: 0.6538286571900034
Energy: 0.7440576135888014
Energy: 0.7544070304783513
Energy: 0.7571350379008942
Energy: 0.6476548665313874
Energy: 0.7571350379008942
Energy: 0.6904844552219948
Energy: 0.7933007460273463
Energy: 0.8078056251251811
Energy: 0.7933007460273463
Energy: 0.6452610604056538
Energy: 0.668467514192504
Energy: 0.7533165985988363
Energy: 0.668467514192504
Energy: 0.7238129813137711
Energy: 0.7576122730854287
Energy: 0.6448020750700932
Energy: 0.7576122730854287
Energy: 0.644936067437763
Energy: 0.7470982539547811
Energy: 0.6630544242919905
Energy: 0.7470982539547811
Energy: 0.6448850279726056
Energy: 0.7936049096427904
Energy: 0.7247238580531375
Energy: 0.7936049096411965
Energy: 0.6529386278258427
Energy: 0.6897297443670286
Energy: 0.6476537497057129
Energy: 0.6897297443606529
Energy: 0.6451203415543069
Energy: 0.6998588243719343
Energy: 0.7529822429186536
Energy: 0.6998588243703403

minimum gb energy = 0.6446401873886681 eV
minimum distance =  2.26058378916896 Angstroms
sigma value = 17


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

Energy: 0.7364038996752008
Energy: 0.7354843914577207
Energy: 0.8258239111763922
Energy: 0.7354843914577207
Energy: 0.7567047122802013
Energy: 0.706582517229965
Energy: 0.6647196429158213
Energy: 0.7065825172308677
Energy: 0.7428546062838708
Energy: 0.7344169195036617
Energy: 0.6645894526410966
Energy: 0.7344169195036617
Energy: 0.6662089653405308
Energy: 0.7357318475141892
Energy: 0.7148459085733937
Energy: 0.735731847515092
Energy: 0.7635881953460675
Energy: 0.7399753156837666
Energy: 0.6651797079672415
Energy: 0.7399753156837666
Energy: 0.6726471004193674
Energy: 0.6946339359015483
Energy: 0.7416513381844072
Energy: 0.694633935902451
Energy: 0.6685988811860152
Energy: 0.7377339715693988
Energy: 0.6650945441475768
Energy: 0.7377339715693988
Energy: 0.738766052753366
Energy: 0.7353766781275808
Energy: 0.6756259202486342
Energy: 0.7353766781266781
Energy: 0.6754353354519527
Energy: 0.764986518729797
Energy: 0.7652656309174458
Energy: 0.7649865187279915
Energy: 0.8128207509620966
Energy: 0.7148264490795053
Energy: 0.6699226346938703
Energy: 0.7148264490795053
Energy: 0.6681425290998305
Energy: 0.7344533822575684
Energy: 0.7455732345936071
Energy: 0.7344533822593738
Energy: 0.6749818578920542
Energy: 0.7356993719432452
Energy: 0.6763947155383271
Energy: 0.7356993719432452
Energy: 0.7545165658216267
Energy: 0.7336012202546703
Energy: 0.733507646007936
Energy: 0.7336012202546703
Energy: 0.6702985016474898
Energy: 0.7773098857097094
Energy: 0.7485604180635332
Energy: 0.7773098857097094
Energy: 0.7230898568920244
Energy: 0.7388906895459353
Energy: 0.6748186183399322
Energy: 0.738890689546838
Energy: 0.7463342075829138
Energy: 0.7358937006117574
Energy: 0.7388250589366974
Energy: 0.7358937006117574
Energy: 0.6652535222433275
Energy: 0.7607883683390528
Energy: 0.8154520063412736
Energy: 0.7607883683381501
Energy: 0.7384450122098439
Energy: 0.7320804823071502
Energy: 0.6726057278362657
Energy: 0.7320804823080529
Energy: 0.68036421945612
Energy: 0.7412481522722606
Energy: 0.7087233397603805
Energy: 0.7412481522722606
Energy: 0.665025963078173
Energy: 0.7353903620347789
Energy: 0.6667847424162815
Energy: 0.7353903620347789
Energy: 0.7070217216693047
Energy: 0.7337028468962319
Energy: 0.7425651245348319
Energy: 0.7337028468980373
Energy: 0.6650073807233926
Energy: 0.7770206877726127
Energy: 0.8120241513021688
Energy: 0.7770206877726127
Energy: 0.7568762987993017
Energy: 0.7363974920351711
Energy: 0.6648435739957129
Energy: 0.7363974920351711
Energy: 0.6705878450513201
Energy: 0.7392739562589676
Energy: 0.7519556684216204
Energy: 0.7392739562598704
Energy: 0.6704110685961581
Energy: 0.7336104948122766
Energy: 0.751264921564509
Energy: 0.7336104948086656
Energy: 0.7598492162250163
Energy: 0.7361578208316679
Energy: 0.665619209973034
Energy: 0.7361578208325708
Energy: 0.6651802247218076
Energy: 0.7642652178410041
Energy: 0.8301893472677621
Energy: 0.7642652178410041
Energy: 0.7418669540091124
Energy: 0.6953752417108976
Energy: 0.743330912725923
Energy: 0.6953752417099949
Energy: 0.792356137374366
Energy: 0.8162782766420679
Energy: 0.668547715575151
Energy: 0.8162782766429706
Energy: 0.6783722459525573
Energy: 0.7644835683295914
Energy: 0.7388194720294222
Energy: 0.7644835683295914

minimum gb energy = 0.6645894526410966 eV
minimum distance =  2.17876302039848 Angstroms
sigma value = 53


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

Energy: 0.6391224895532853
Energy: 0.6385780464286623
Energy: 0.840045982522422
Energy: 0.6385780464286623
Energy: 0.7618342583157405
Energy: 0.6889804988283116
Energy: 0.7117200712540842
Energy: 0.688980498832468
Energy: 0.6401065724983689
Energy: 0.639372811394339
Energy: 0.7488383312667727
Energy: 0.639372811394339
Energy: 0.6403329761342597
Energy: 0.6391214526270662
Energy: 0.6958606660022452
Energy: 0.6391214526291443
Energy: 0.7618489643718114
Energy: 0.6889544515642315
Energy: 0.7096258299485193
Energy: 0.6889544515642315
Energy: 0.6391224895532853
Energy: 0.6385780464286623
Energy: 0.8400459825452825
Energy: 0.6385780464286623
Energy: 0.7618342583157405
Energy: 0.6889804988303897
Energy: 0.6957486131802758
Energy: 0.688980498832468
Energy: 0.6401065724983689
Energy: 0.6393728113964172
Energy: 0.7488383312667727
Energy: 0.639372811394339
Energy: 0.6403329761321814
Energy: 0.6391214526291443
Energy: 0.7425960395404899
Energy: 0.6391214526291443
Energy: 0.7618489643718114
Energy: 0.6889544515642315
Energy: 0.7096258299485193
Energy: 0.6889544515642315
Energy: 0.6391224895532853
Energy: 0.6385780464286623
Energy: 0.8400459824974832
Energy: 0.6385780464286623
Energy: 0.7618342583157405
Energy: 0.6889804988283116
Energy: 0.7426114841858589
Energy: 0.688980498832468
Energy: 0.6401065724983689
Energy: 0.639372811394339
Energy: 0.7488383312667727
Energy: 0.639372811394339

minimum gb energy = 0.6385780464286623 eV
minimum distance =  2.24211160209642 Angstroms
sigma value = 9


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

Energy: 0.7066412951025898
Energy: 0.8050029126330586
Energy: 0.883312962417552
Energy: 0.8050029126330586
Energy: 0.7856857490979801
Energy: 0.7289335191983859
Energy: 0.7040208683147776
Energy: 0.7289335191983859
Energy: 0.68944505706279
Energy: 0.7001693064830917
Energy: 0.7034541150402527
Energy: 0.7001693064815534
Energy: 0.7615264979553579
Energy: 0.8176924885731195
Energy: 0.7036423125176235
Energy: 0.8176924885723504
Energy: 0.7775395024582705
Energy: 0.7332839372634421
Energy: 0.7005501234593273
Energy: 0.7332839372642114
Energy: 0.6999864115646025
Energy: 0.6991356133315165
Energy: 0.7670293184197707
Energy: 0.6991356133315165
Energy: 0.8862160397575058
Energy: 0.7308887790056046
Energy: 0.7017040576953779
Energy: 0.7308887790048355
Energy: 0.6935440170156996
Energy: 0.813505168785996
Energy: 0.7722405963818527
Energy: 0.8135051687852268
Energy: 0.6907131667837775
Energy: 0.8160005810125899
Energy: 0.7034716955300326
Energy: 0.8160005810717823
Energy: 0.690407929935455
Energy: 0.7275818628685605
Energy: 0.7004254835580489
Energy: 0.7275818628685605
Energy: 0.694270695189809
Energy: 0.8300456412025035
Energy: 0.8746141290940779
Energy: 0.830045641200965
Energy: 0.7805291947117667
Energy: 0.7912292575286931
Energy: 0.6941302521440912
Energy: 0.7912292575286931
Energy: 0.6910930757793584
Energy: 0.7507708977423813
Energy: 0.8260805972799486
Energy: 0.7507708977423813
Energy: 0.7648977878657116
Energy: 0.8298337363609629
Energy: 0.7088285664532978
Energy: 0.8298337363601939
Energy: 0.6959374232519658
Energy: 0.780085154099576
Energy: 0.7685395616421835
Energy: 0.7800851541026528
Energy: 0.6932142808140174
Energy: 0.8161833732439462
Energy: 0.7632994525260794
Energy: 0.8161833732447153
Energy: 0.7376346115639971
Energy: 0.7799502172726251
Energy: 0.6956262320590137
Energy: 0.7799502172726251
Energy: 0.6966174871637285
Energy: 0.7311460489552203
Energy: 0.7751496881263894
Energy: 0.7311460489552203
Energy: 0.7789154124360719
Energy: 0.7513114635118918
Energy: 0.7005294525349522
Energy: 0.7513114635103534
Energy: 0.6952795126322694
Energy: 0.7343672623249148
Energy: 0.7440527409630102
Energy: 0.7343672623241457
Energy: 0.7664258065837597
Energy: 0.8072472893029693
Energy: 0.7627247348286275
Energy: 0.8072472893045077
Energy: 0.7470256049068323
Energy: 0.7699615181571277
Energy: 0.6905256288922812
Energy: 0.7699615181571277
Energy: 0.7033975574551254
Energy: 0.7847223542553692
Energy: 0.6907363384902993
Energy: 0.7847223542561383
Energy: 0.889571536298542
Energy: 0.7434654903738803
Energy: 0.6929659764868655
Energy: 0.7434654903738803
Energy: 0.7022143045382652
Energy: 0.8003132147956533
Energy: 0.8454156551697998
Energy: 0.8003132147964225
Energy: 0.7350123937687355
Energy: 0.699531523994155
Energy: 0.6898381045153901
Energy: 0.699531523994155
Energy: 0.7408806140257957
Energy: 0.7819125473799138
Energy: 0.7612655593167028
Energy: 0.7819125473791445
Energy: 0.7115041509540373
Energy: 0.8168164154337041
Energy: 0.7616130501800018
Energy: 0.8168164154337041
Energy: 0.7321703720956568
Energy: 0.699323225249114
Energy: 0.6893910420255335
Energy: 0.6993232252468066
Energy: 0.7036707527153722
Energy: 0.8000222933416503
Energy: 0.8479637327009051
Energy: 0.8000222933408812
Energy: 0.8445194715019344
Energy: 0.7429536419574355
Energy: 0.6923214926611571
Energy: 0.7429536419566661
Energy: 0.704447025522497
Energy: 0.7316887310187417
Energy: 0.6898296207577902
Energy: 0.7316887310187417
Energy: 0.7041101771603759
Energy: 0.7737724901960505
Energy: 0.689607114032468
Energy: 0.7737724901960505
Energy: 0.7692579898815897
Energy: 0.8093204564797826
Energy: 0.7616426982095601
Energy: 0.8093204564797826
Energy: 0.6998188209936564
Energy: 0.7984679421176847
Energy: 0.8861271767053122
Energy: 0.7984679421161464

minimum gb energy = 0.6893910420255335 eV
minimum distance =  2.20195927439256 Angstroms
sigma value = 73


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

Energy: 0.7540872173980068
Energy: 0.7507564992450688
Energy: 0.8679274663692883
Energy: 0.7507564992462893
Energy: 0.7427659354631522
Energy: 0.7554938019426339
Energy: 0.7025911643217053
Energy: 0.7554938019450748
Energy: 0.6955447554660876
Energy: 0.6993595830022862
Energy: 0.6986163573603982
Energy: 0.6993595830022862
Energy: 0.6867521010338408
Energy: 0.7997259945903638
Energy: 0.7082986460115902
Energy: 0.799725994587923
Energy: 0.7263264074361891
Energy: 0.7520302811669374
Energy: 0.7057916707624239
Energy: 0.7520302811669374
Energy: 0.7052248254144504
Energy: 0.7000377957537891
Energy: 0.8086719012266523
Energy: 0.7000377957513484
Energy: 0.8761432256761448
Energy: 0.7918348570573696
Energy: 0.6986566641300215
Energy: 0.7918348570573696
Energy: 0.6923489274539105
Energy: 0.7009910646068623
Energy: 0.82200423292173
Energy: 0.7009910646080827
Energy: 0.8483355701712867
Energy: 0.7011689388115034
Energy: 0.7025428378810414
Energy: 0.701168938810283
Energy: 0.6961235097030766
Energy: 0.74321839506478
Energy: 0.6962300108954939
Energy: 0.7432183950672209
Energy: 0.6949040416781362
Energy: 0.7010656624703395
Energy: 0.8136114650945339
Energy: 0.7010656624678988
Energy: 0.7818504289280369
Energy: 0.7064772317620934
Energy: 0.6873687544042631
Energy: 0.706477231760873
Energy: 0.7066692584856112
Energy: 0.7434614641545875
Energy: 0.8206899520405991
Energy: 0.7434614641521468
Energy: 0.8336689452559557
Energy: 0.7877005958771678
Energy: 0.7049128629213065
Energy: 0.7877005958759473
Energy: 0.6956896017230355
Energy: 0.800510609682474
Energy: 0.8151364399694973
Energy: 0.8005106096812536
Energy: 0.8150390393596402
Energy: 0.7008557767566437
Energy: 0.6924702451034344
Energy: 0.700855776757864
Energy: 0.743291019800383
Energy: 0.743947999727998
Energy: 0.6951003213526896
Energy: 0.743947999727998
Energy: 0.7451495542765787
Energy: 0.7054987005373042
Energy: 0.6957173011871078
Energy: 0.7054987005373042
Energy: 0.6975596654931348
Energy: 0.7015721942975748
Energy: 0.6914892308510582
Energy: 0.7015721942975748
Energy: 0.70199543355576
Energy: 0.7583757707477565
Energy: 0.8410265483571123
Energy: 0.7583757707514177
Energy: 0.8280615359776161
Energy: 0.6975273282828768
Energy: 0.7042707468256882
Energy: 0.6975273282828768
Energy: 0.7080233790268541
Energy: 0.7527141242485019
Energy: 0.782163771097877
Energy: 0.7527141242485019

minimum gb energy = 0.6867521010338408 eV
minimum distance =  2.21091652099014 Angstroms
sigma value = 7


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

Energy: 0.7235376577525102
Energy: 0.7222115084675679
Energy: 0.8732475219501747
Energy: 0.7222115084675679
Energy: 0.8586529253953804
Energy: 0.7466219398873228
Energy: 0.7054249218088894
Energy: 0.7466219398916376
Energy: 0.7008721636092927
Energy: 0.7223618329807298
Energy: 0.7124511717153089
Energy: 0.722361832975552
Energy: 0.7129027662484742
Energy: 0.7594178433471854
Energy: 0.7051792267802919
Energy: 0.7594178433497742
Energy: 0.7012824590239657
Energy: 0.7468950581446376
Energy: 0.7135327586737813
Energy: 0.7468950581472265
Energy: 0.69976453403728
Energy: 0.7220885575147609
Energy: 0.8369691957373265
Energy: 0.7220885575224881
Energy: 0.7901975617941256
Energy: 0.7746876032844008
Energy: 0.7133752128853613
Energy: 0.7746876032852639
Energy: 0.6998608153484931
Energy: 0.7216865661604279
Energy: 0.8574844166408654
Energy: 0.7216865661699202
Energy: 0.7899284187618112
Energy: 0.7520653510678855
Energy: 0.7061087770844544
Energy: 0.7520653510678855
Energy: 0.7001058773207819
Energy: 0.7606428664338784
Energy: 0.7765204004914426
Energy: 0.7606428664424684
Energy: 0.7166687415187107
Energy: 0.819859088405917
Energy: 0.7141533177546429
Energy: 0.8198590884076429
Energy: 0.7225914146427801
Energy: 0.7471109504768207
Energy: 0.713499052282969
Energy: 0.7471109504750949
Energy: 0.7220985503908968
Energy: 0.7212259889282272
Energy: 0.714445834261399
Energy: 0.7212259889256385
Energy: 0.71655404998752
Energy: 0.7188871114441265
Energy: 0.7127346312537344
Energy: 0.7188871114415377
Energy: 0.6992458266385433
Energy: 0.8166697089414026
Energy: 0.7918849240416153
Energy: 0.8166697089457171
Energy: 0.8962631951010228
Energy: 0.7183865548295753
Energy: 0.7068918317496107
Energy: 0.7183865548321642
Energy: 0.6990475225903852
Energy: 0.7462921808483537
Energy: 0.7375523552878291
Energy: 0.7462921808483537
Energy: 0.7109498014715592
Energy: 0.8151325767301854
Energy: 0.7134937175954208
Energy: 0.8151325767319112
Energy: 0.6993494065540159
Energy: 0.7211267333362188
Energy: 0.7143805034890277
Energy: 0.7211267333431224
Energy: 0.7002138624666214
Energy: 0.7475188089949475
Energy: 0.713769304684645
Energy: 0.7475188089914958
Energy: 0.7166686529178855
Energy: 0.8158835463613031
Energy: 0.7060780548778756
Energy: 0.8158835463613031
Energy: 0.6999605855463445
Energy: 0.72222445297118
Energy: 0.7801813449489818
Energy: 0.7222244529642764
Energy: 0.8470605334633929
Energy: 0.7520603698513514
Energy: 0.713003433353143
Energy: 0.7520603698522144
Energy: 0.722309321164422
Energy: 0.7210940071782573
Energy: 0.8363925615049415
Energy: 0.7210940071730797
Energy: 0.7214171913023214
Energy: 0.747633017412461
Energy: 0.7111390515370761
Energy: 0.7476330174150497
Energy: 0.7130010266487843
Energy: 0.7210144930455776
Energy: 0.7165127135688524
Energy: 0.7210144930473035
Energy: 0.701662751477476
Energy: 0.7603091085681413
Energy: 0.711357961117384
Energy: 0.7603091085629637
Energy: 0.7129957736797721
Energy: 0.74616620785164
Energy: 0.704980803694321
Energy: 0.7461662078473252
Energy: 0.7001271209603739
Energy: 0.7228031495827271
Energy: 0.7755775041936425
Energy: 0.72280314958359
Energy: 0.7294122715288088
Energy: 0.7156384857363265
Energy: 0.70524836265215
Energy: 0.7156384857363265
Energy: 0.7002042407973229
Energy: 0.7233243990821694
Energy: 0.822715946252727
Energy: 0.7233243990838953

minimum gb energy = 0.6990475225903852 eV
minimum distance =  2.19555203972015 Angstroms
sigma value = 29


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

Energy: 0.6912257847293785
Energy: 0.6839601562169638
Energy: 0.7769632323144927
Energy: 0.6839601562163627
Energy: 0.6714228119498149
Energy: 0.692736830251996
Energy: 0.684367238985915
Energy: 0.6927368302511275
Energy: 0.6912610545046227
Energy: 0.7294402776936467
Energy: 0.7500962812201445
Energy: 0.7294402776939473
Energy: 0.69181945561022
Energy: 0.6707178264662337
Energy: 0.6854388902711414
Energy: 0.6707178264662337
Energy: 0.6914078739941285
Energy: 0.7129562063911974
Energy: 0.6706029997801113
Energy: 0.7129562063914979
Energy: 0.6819654687716362
Energy: 0.7260022894657154
Energy: 0.681975717276043
Energy: 0.726002289466016
Energy: 0.6954890181733615
Energy: 0.712913806408344
Energy: 0.6913950141277767
Energy: 0.7129138064092124
Energy: 0.6854495092366227
Energy: 0.6707223237525977
Energy: 0.6918006722714873
Energy: 0.670722323753466
Energy: 0.750061069997625
Energy: 0.7294863652630882
Energy: 0.691247102785024
Energy: 0.7294863652628208

minimum gb energy = 0.6706029997801113 eV
minimum distance =  2.23374833078105 Angstroms
sigma value = 5


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

Energy: 0.6636977960530365
Energy: 0.6792959379827187
Energy: 0.7702579763790371
Energy: 0.6792959379835339
Energy: 0.7596511746216293
Energy: 0.6892980614208222
Energy: 0.6408462101812497
Energy: 0.6892980614200072
Energy: 0.6448179361253107
Energy: 0.6736651592177786
Energy: 0.764344827410186
Energy: 0.6736651592169635
Energy: 0.6401143037511242
Energy: 0.6985918123437675
Energy: 0.647795867890518
Energy: 0.6985918123453978
Energy: 0.6519735428934109
Energy: 0.7042001656527432
Energy: 0.7665892149865007
Energy: 0.704200165651928
Energy: 0.6746258175391512
Energy: 0.6811611049813838
Energy: 0.6399893089950216
Energy: 0.6811611049813838
Energy: 0.6446782709551808
Energy: 0.7024791852292168
Energy: 0.6513173620908621
Energy: 0.7024791852292168
Energy: 0.6423741840990559
Energy: 0.682788928394479
Energy: 0.6474126133708877
Energy: 0.682788928394479
Energy: 0.6522706565933606
Energy: 0.7027217202929237
Energy: 0.6570475292969817
Energy: 0.7027217202929237
Energy: 0.6497670838837005
Energy: 0.7023550066513514
Energy: 0.6449489029269788
Energy: 0.7023550066513514
Energy: 0.6569162612982198
Energy: 0.6826721367669866
Energy: 0.6463061522809468
Energy: 0.6826721367678018
Energy: 0.6462514828479738
Energy: 0.7132200614837254
Energy: 0.7079689499964649
Energy: 0.7132200614821321
Energy: 0.6751115952697342
Energy: 0.6797525109984754
Energy: 0.681163233574193
Energy: 0.6797525109992906
Energy: 0.6527528439931317
Energy: 0.681347877429462
Energy: 0.6668191101094371
Energy: 0.681347877429462
Energy: 0.6704510058635266
Energy: 0.6996205191283155
Energy: 0.6464389616762378
Energy: 0.6996205191291306
Energy: 0.6503593413022947
Energy: 0.6736354557412845
Energy: 0.659388415753991
Energy: 0.6736354557429148
Energy: 0.7429045448840907
Energy: 0.714518167561947
Energy: 0.6410315046933773
Energy: 0.7145181675635772
Energy: 0.6532074701169538
Energy: 0.6798636557262938
Energy: 0.7156520422260348
Energy: 0.679863655727109
Energy: 0.6453543374543728
Energy: 0.7029979484848433
Energy: 0.6407208808201119
Energy: 0.7029979484848433
Energy: 0.6451308744061343
Energy: 0.701893747099256
Energy: 0.666508399312106
Energy: 0.7018937470984411
Energy: 0.6393802129806673
Energy: 0.698627229409507
Energy: 0.6484620775228818
Energy: 0.6986272294103221
Energy: 0.6528922997815753
Energy: 0.702929063591114
Energy: 0.6552912652634822
Energy: 0.702929063591114
Energy: 0.640594434557838
Energy: 0.6822105199541454
Energy: 0.638929710220917
Energy: 0.6822105199533303
Energy: 0.6900400461692333
Energy: 0.6781654461816163
Energy: 0.6454139024043167
Energy: 0.6781654461799861
Energy: 0.6852172546548181
Energy: 0.6700494703408493
Energy: 0.6418951241639097
Energy: 0.6700494703400341
Energy: 0.6701092067449415
Energy: 0.6813958557194985
Energy: 0.6524049427513797
Energy: 0.6813958557186833
Energy: 0.6441622589027048
Energy: 0.693781500455845
Energy: 0.6618104878743302
Energy: 0.6937815004574752
Energy: 0.6801695671212343
Energy: 0.6925144875748057
Energy: 0.6505004993076416
Energy: 0.6925144875739906
Energy: 0.6464460256977781
Energy: 0.6907914155214637
Energy: 0.7746015754421478
Energy: 0.6907914155214637
Energy: 0.7265564402372565
Energy: 0.679574631995041
Energy: 0.6532357133701416
Energy: 0.6795746319958562
Energy: 0.645093342967425
Energy: 0.6600569369329234
Energy: 0.7258224787467031
Energy: 0.6600569369329234
Energy: 0.7443154169643503
Energy: 0.6899346205058716
Energy: 0.6454713779716642
Energy: 0.6899346205058716
Energy: 0.6485649935546276
Energy: 0.6856429556451425
Energy: 0.6418661866519213
Energy: 0.6856429556459577

minimum gb energy = 0.638929710220917 eV
minimum distance =  2.20520542275891 Angstroms
sigma value = 1


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

Energy: 0.6464673906746744
Energy: 0.6459269267981247
Energy: 0.646030254664441
Energy: 0.6459269267947434
Energy: 0.6404005550100632
Energy: 0.6543470246968763
Energy: 0.6115571287270828
Energy: 0.6543470246957493
Energy: 0.6040055027147226
Energy: 0.6463095222481607
Energy: 0.8487558285404333
Energy: 0.6463095222492878
Energy: 0.6226912906757389
Energy: 0.6777962782605158
Energy: 0.6116458437297968
Energy: 0.6777962782616428
Energy: 0.6034554010898987
Energy: 0.7018526321759266
Energy: 0.7496007196009378
Energy: 0.7018526321793079
Energy: 0.6030371929765991
Energy: 0.6483798616413735
Energy: 0.6116238121500289
Energy: 0.6483798616379924
Energy: 0.6035365242151943
Energy: 0.7012874779976591
Energy: 0.6321825817559198
Energy: 0.7012874779954049
Energy: 0.6036684235759278
Energy: 0.6480771077203484
Energy: 0.6363336614111385
Energy: 0.6480771077214755
Energy: 0.6539582022041327
Energy: 0.6401186805446156
Energy: 0.6419286087291444
Energy: 0.6401186805446156
Energy: 0.6454014780399212
Energy: 0.6402425683873979
Energy: 0.6533834992420414
Energy: 0.6402425683840166
Energy: 0.6035772109543039
Energy: 0.6483831698124792
Energy: 0.6276719161417791
Energy: 0.6483831698124792
Energy: 0.6035327445741431
Energy: 0.7013389203432014
Energy: 0.6377489291577934
Energy: 0.7013389203409472
Energy: 0.6032609252815365
Energy: 0.6484006218451617
Energy: 0.6116219227204333
Energy: 0.6484006218462887
Energy: 0.6034450533816502
Energy: 0.7018310499063143
Energy: 0.770187853091835
Energy: 0.7018310499063143
Energy: 0.6228802423714919
Energy: 0.6778012836454315
Energy: 0.6115181452391376
Energy: 0.6778012836499399
Energy: 0.603976737022423
Energy: 0.6461513851787352
Energy: 0.6632705745838856
Energy: 0.6461513851787352
Energy: 0.64037334225401
Energy: 0.6543316311076978
Energy: 0.611508022384794
Energy: 0.6543316311043165
Energy: 0.6464673906746744
Energy: 0.6459269267981247
Energy: 0.6460302660642858
Energy: 0.6459269267947434
Energy: 0.6404005550100632
Energy: 0.6543470246968763
Energy: 0.6115571287270828
Energy: 0.6543470246957493
Energy: 0.6040055027158499
Energy: 0.6463095222470338
Energy: 0.8487558285404333
Energy: 0.6463095222481607
Energy: 0.6226912906723577
Energy: 0.6777962782616428
Energy: 0.6116458437297968
Energy: 0.6777962782616428
Energy: 0.6034554010898987
Energy: 0.7018526321759266
Energy: 0.7496007196020648
Energy: 0.7018526321793079
Energy: 0.6030371929765991
Energy: 0.6483798616413735
Energy: 0.6116238121500289
Energy: 0.6483798616379924
Energy: 0.6035365242140673
Energy: 0.7012874779976591
Energy: 0.6400663404076011
Energy: 0.7012874779954049

minimum gb energy = 0.6030371929765991 eV
minimum distance =  2.21356090749536 Angstroms
sigma value = 17


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

Energy: 0.639085070632622
Energy: 0.6383969184247624
Energy: 0.7550896304476629
Energy: 0.6383969184247624
Energy: 0.7233125363494814
Energy: 0.6304248112123709
Energy: 0.6145724122301112
Energy: 0.6304248112109776
Energy: 0.6120068840868872
Energy: 0.6313841768643174
Energy: 0.7714009329132917
Energy: 0.6313841768629241
Energy: 0.6373366422782104
Energy: 0.6118153343506202
Energy: 0.608567013740423
Energy: 0.611815334349227
Energy: 0.6070871357604734
Energy: 0.674237220652337
Energy: 0.6308734501879613
Energy: 0.6742372206537303
Energy: 0.605192416624511
Energy: 0.618368712844388
Energy: 0.6183341392948367
Energy: 0.6183687128409049
Energy: 0.6151066297292161
Energy: 0.6641319940372139
Energy: 0.6515339827026249
Energy: 0.6641319940358207
Energy: 0.6058373467085053
Energy: 0.6590939112420706
Energy: 0.6051220167409653
Energy: 0.6590939112427671
Energy: 0.6404237756326994
Energy: 0.7433968633204168
Energy: 0.6343890299439843
Energy: 0.7433968633197201
Energy: 0.6435441604775771
Energy: 0.6553049498466594
Energy: 0.6141850025063667
Energy: 0.6553049498473561
Energy: 0.6120830609082977
Energy: 0.6435451432385703
Energy: 0.6047502991315234
Energy: 0.6435451432267277
Energy: 0.6143140758578721
Energy: 0.6576750021302851
Energy: 0.6095779011516615
Energy: 0.6576750021295885
Energy: 0.6035393836645675
Energy: 0.6480637296864636
Energy: 0.609330830290393
Energy: 0.6480637296857671
Energy: 0.6109066107820631
Energy: 0.6735523899234558
Energy: 0.6512655655240401
Energy: 0.6735523899241525
Energy: 0.6042740254302907
Energy: 0.6140639782992491
Energy: 0.6436294965124361
Energy: 0.6140639783201478
Energy: 0.6123019252574025
Energy: 0.6321922367666442
Energy: 0.62064361273726
Energy: 0.6321922367652508
Energy: 0.6188307496163786
Energy: 0.7317523663217793
Energy: 0.6090602185624284
Energy: 0.7317523663217793
Energy: 0.6091597792728982
Energy: 0.6390051331604768
Energy: 0.6165768006140048
Energy: 0.63900513316187
Energy: 0.7129344599223931
Energy: 0.6591581598893756
Energy: 0.6137117893099462
Energy: 0.6591581598872857
Energy: 0.6178518203426301
Energy: 0.631124272647641
Energy: 0.642295887888326
Energy: 0.6311242726504277
Energy: 0.6122983123314166
Energy: 0.6238388988654372
Energy: 0.6108976742200539
Energy: 0.6238388988661339
Energy: 0.6096764571800001
Energy: 0.6404818717762865
Energy: 0.7183049518674989
Energy: 0.640481871776983
Energy: 0.6276289331645922
Energy: 0.6214972760062688
Energy: 0.6188022534112454
Energy: 0.6214972760083587
Energy: 0.6122558288729022
Energy: 0.6650446916338414
Energy: 0.7249048911081115
Energy: 0.6650446916338414
Energy: 0.6283234841963888
Energy: 0.6391232964347229
Energy: 0.6097437438688154
Energy: 0.6391232964361161
Energy: 0.6089155476208246
Energy: 0.6750692640014482
Energy: 0.6265791115503894
Energy: 0.675069264000055
Energy: 0.7180502435667567
Energy: 0.6481896964189974
Energy: 0.6128181796444525
Energy: 0.6481896964176042
Energy: 0.6459860333630273
Energy: 0.7336399830128644
Energy: 0.6047394478915801
Energy: 0.7336399830149541
Energy: 0.6487966132503197
Energy: 0.6735688090030416
Energy: 0.6087907787548827
Energy: 0.6735688090037383
Energy: 0.6087666210135708
Energy: 0.6476085949432905
Energy: 0.6381958192567032
Energy: 0.647608594945317
Energy: 0.6128067309654733
Energy: 0.6735322937231427
Energy: 0.6175331242134018
Energy: 0.6735322937224462
Energy: 0.603928328804735
Energy: 0.6499075915601025
Energy: 0.6102755509524809
Energy: 0.6499075915621925
Energy: 0.613132974505291
Energy: 0.6534779146073468
Energy: 0.735573864814855
Energy: 0.6534779146073468
Energy: 0.6395162960450836
Energy: 0.7430811616728726
Energy: 0.6190714012443751
Energy: 0.7430811616735693
Energy: 0.6085785724200146
Energy: 0.6395069853787402
Energy: 0.6315075765130763
Energy: 0.6395069853801334
Energy: 0.6599971905332372
Energy: 0.6648849066250241
Energy: 0.6140373107145609
Energy: 0.6648849066229342
Energy: 0.6187567838444775
Energy: 0.6210744050914183
Energy: 0.6066868082517175
Energy: 0.621074405125553
Energy: 0.6219478964623817
Energy: 0.6752072992540589
Energy: 0.6100285513421934
Energy: 0.6752072992554521

minimum gb energy = 0.6035393836645675 eV
minimum distance =  2.20232954643403 Angstroms
sigma value = 89


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

Energy: 0.55978527909664
Energy: 0.5594848847607954
Energy: 0.7386508994494868
Energy: 0.5594848847607954
Energy: 0.5612716898160529
Energy: 0.5781772716500183
Energy: 0.5664655339768798
Energy: 0.5781772716463729
Energy: 0.5653265238309328
Energy: 0.6574323975362241
Energy: 0.9457471669237445
Energy: 0.6574323975362241
Energy: 0.5590861741011509
Energy: 0.5781407519517765
Energy: 0.5662166453774998
Energy: 0.5781407519517765
Energy: 0.5609798247776743
Energy: 0.6121905100262954
Energy: 0.5616212743803685
Energy: 0.6121905100262954
Energy: 0.5608729539012233
Energy: 0.5604930168780627
Energy: 0.5628908645361431
Energy: 0.5604930168780627
Energy: 0.5660163974698105
Energy: 0.6585671407806167
Energy: 0.5670629127165288
Energy: 0.6585671407806167
Energy: 0.5590403489178024
Energy: 0.6547355664394053
Energy: 0.5664771757250314
Energy: 0.6547355664412282
Energy: 0.5608794375717985
Energy: 0.612118430448534
Energy: 0.5560153402078425
Energy: 0.612118430448534
Energy: 0.5794490122769519
Energy: 0.6089658524412822
Energy: 0.561645363280352
Energy: 0.6089658524412822
Energy: 0.5658276898238249
Energy: 0.5787774481327318
Energy: 0.5670721076125991
Energy: 0.5787774481327318
Energy: 0.559294105981011
Energy: 0.656513715223891
Energy: 0.5669379657462219
Energy: 0.656513715223891
Energy: 0.5606439394782746
Energy: 0.5614525122790753
Energy: 0.5576083137366834
Energy: 0.5614525122790753
Energy: 0.5618081797515623
Energy: 0.6102837360616375
Energy: 0.5620039448765188
Energy: 0.6102837360616375
Energy: 0.5562743175156658
Energy: 0.5614828499293589
Energy: 0.5606432206577406
Energy: 0.5614828499275363

minimum gb energy = 0.5560153402078425 eV
minimum distance =  2.22725299313077 Angstroms
sigma value = 13


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

Energy: 0.5546591995353124
Energy: 0.5336875726698741
Energy: 0.6812316604015882
Energy: 0.53368757267293
Energy: 0.6397369864561271
Energy: 0.5467236184149212
Energy: 0.5301064223242411
Energy: 0.5467236184103373
Energy: 0.5345835381314504
Energy: 0.5340201656086336
Energy: 0.6483480327524623
Energy: 0.5340201656048137
Energy: 0.5385781776658398
Energy: 0.546781371577729
Energy: 0.5271820595447937
Energy: 0.5467813715754372
Energy: 0.5405782128359085
Energy: 0.5726931478766996
Energy: 0.5385734584084985
Energy: 0.5726931478751716
Energy: 0.5350298628368314
Energy: 0.5473943001044578
Energy: 0.5420284982317422
Energy: 0.5473943001067497
Energy: 0.5409455640682728
Energy: 0.5733545668585206
Energy: 0.5464009135114157
Energy: 0.5733545668615764
Energy: 0.527200858655007
Energy: 0.5468258854384648
Energy: 0.5421518295363343
Energy: 0.5468258854384648
Energy: 0.540813474178776
Energy: 0.5734555924178621
Energy: 0.6358013466487544
Energy: 0.5734555924170982
Energy: 0.6470673469196639
Energy: 0.5838506406227628
Energy: 0.5273496471867768
Energy: 0.583850640621999
Energy: 0.5408208287087957
Energy: 0.5848206361096531
Energy: 0.5301186090815325
Energy: 0.5848206361096531
Energy: 0.6600758948635628
Energy: 0.5838599435756482
Energy: 0.5269873432299952
Energy: 0.5838599435741203
Energy: 0.5603434178922154
Energy: 0.5440887385788823
Energy: 0.5300245292410967
Energy: 0.5440887385819381
Energy: 0.721142344277437
Energy: 0.5840489745215418
Energy: 0.5270620077931693
Energy: 0.5840489745230698
Energy: 0.5410212405373684
Energy: 0.534224646638135
Energy: 0.5301657226673439
Energy: 0.534224646638899
Energy: 0.5484609455487659
Energy: 0.5843737797550557
Energy: 0.5296838700328484
Energy: 0.5843737797550557
Energy: 0.5428024582418921
Energy: 0.5706101543528919
Energy: 0.5300658079146974
Energy: 0.5706101543506
Energy: 0.5404172942255316
Energy: 0.5716666419192556
Energy: 0.5486814005097097
Energy: 0.5716666419184917
Energy: 0.5429125799138664
Energy: 0.5445630286391528
Energy: 0.548101101455899
Energy: 0.5445630286429379
Energy: 0.5428274753407156
Energy: 0.5442340511209752
Energy: 0.5481205444060405
Energy: 0.5442340511186834
Energy: 0.5397375695271731
Energy: 0.5716650769460602
Energy: 0.5533095636561831
Energy: 0.5716650769437682
Energy: 0.5427780289457725
Energy: 0.5705887423579568
Energy: 0.5299606053171119
Energy: 0.5705887423526437
Energy: 0.5486483636255891
Energy: 0.5843694750012965
Energy: 0.5299333369695448
Energy: 0.5843694749997685
Energy: 0.541026150123627
Energy: 0.5343165590748423
Energy: 0.5303860845808335
Energy: 0.5343165590801902
Energy: 0.7211231636813816
Energy: 0.584164942092807
Energy: 0.5270158763601356
Energy: 0.5841649420897512
Energy: 0.560555039978634
Energy: 0.544192265968887
Energy: 0.5292602502481507
Energy: 0.544192265968887
Energy: 0.6601958288987267
Energy: 0.5838711418069935
Energy: 0.5268353202999622
Energy: 0.5838711418001177
Energy: 0.5408953050506812
Energy: 0.5848936991620584
Energy: 0.5292496406526218
Energy: 0.5848936991567104
Energy: 0.6468909005712085
Energy: 0.5839157785952163
Energy: 0.5273431713581548
Energy: 0.5839157785929243
Energy: 0.540836801189835
Energy: 0.573337642593228
Energy: 0.6272851447898922
Energy: 0.5733376425878801
Energy: 0.5270272633210895
Energy: 0.546972970572078
Energy: 0.542160171322959
Energy: 0.5469729705636743
Energy: 0.5409945517597218
Energy: 0.5733283551604578
Energy: 0.721804612323219
Energy: 0.5733283551696255
Energy: 0.5351578788718306
Energy: 0.5474781287429715
Energy: 0.5421579274500985
Energy: 0.5474781287437356
Energy: 0.5406059998574754
Energy: 0.5726687721158965
Energy: 0.7282529247002281
Energy: 0.5726687721097847
Energy: 0.5386927176821275
Energy: 0.5468038644583845
Energy: 0.5271961604543637
Energy: 0.5468038644637323

minimum gb energy = 0.5268353202999622 eV
minimum distance =  2.2394093174287 Angstroms
sigma value = 37


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

Energy: 0.5051631345368631
Energy: 0.5045694911954902
Energy: 0.6373293777781445
Energy: 0.5045694911954902
Energy: 0.4971530170010527
Energy: 0.5045450966894288
Energy: 0.4811449582918002
Energy: 0.5045450966894288
Energy: 0.48679030048592736
Energy: 0.5672145718805346
Energy: 0.6956523415795899
Energy: 0.567214571881849
Energy: 0.47838576783121667
Energy: 0.5043204005745732
Energy: 0.4810505596443401
Energy: 0.5043204005745732
Energy: 0.4803357105766345
Energy: 0.5041896910596472
Energy: 0.4787082025699137
Energy: 0.5041896910583327
Energy: 0.47333757980530095
Energy: 0.5043923242162108
Energy: 0.47855602841557493
Energy: 0.5043923242162108
Energy: 0.49194641148983415
Energy: 0.5281674031809245
Energy: 0.647371827597797
Energy: 0.5281674031809245
Energy: 0.478390136966666
Energy: 0.5050984684953493
Energy: 0.5068085732587557
Energy: 0.5050984684966637
Energy: 0.4803889622579615
Energy: 0.5044394670850741
Energy: 0.6518397069571192
Energy: 0.5044394670850741
Energy: 0.692973226961247
Energy: 0.5597723603947186
Energy: 0.4785070399704078
Energy: 0.5597723603947186
Energy: 0.49672816153099364
Energy: 0.5278838473424511
Energy: 0.47922443754771094
Energy: 0.5278838473424511
Energy: 0.6858062722841128
Energy: 0.5044988052415083
Energy: 0.4811531216374075
Energy: 0.5044988052415083
Energy: 0.4803547202218032
Energy: 0.5045234130609819
Energy: 0.47338629293328616
Energy: 0.5045234130596676
Energy: 0.6537287901171658
Energy: 0.5280508075538101
Energy: 0.4773170640484481
Energy: 0.5280508075538101
Energy: 0.5083245345802483
Energy: 0.528289564581247
Energy: 0.4783643527643499
Energy: 0.528289564581247
Energy: 0.5044647159549657
Energy: 0.5046818190472616
Energy: 0.48127715735091237
Energy: 0.5046818190472616
Energy: 0.48042059149736005
Energy: 0.5602011194584616
Energy: 0.4785518105802091
Energy: 0.5602011194584616
Energy: 0.4816940561935003
Energy: 0.5811572689088593
Energy: 0.47737950690357167
Energy: 0.5811572689088593
Energy: 0.4836593733010244
Energy: 0.5056056393022927
Energy: 0.48106900898688665
Energy: 0.5056056393022927
Energy: 0.47722400559830275
Energy: 0.5052521353969209
Energy: 0.47653848915501573
Energy: 0.5052521353956065

minimum gb energy = 0.47333757980530095 eV
minimum distance =  2.24438428541034 Angstroms
sigma value = 25


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

Energy: 0.5372671509373357
Energy: 0.44687129381384
Energy: 0.5987598890449368
Energy: 0.4468712938128136
Energy: 0.6333241734128886
Energy: 0.44920002685645766
Energy: 0.44090120079214057
Energy: 0.44920002687180643
Energy: 0.5101471632298795
Energy: 0.4452004308441053
Energy: 0.4393285554834072
Energy: 0.44520043084513167
Energy: 0.5087843341485478
Energy: 0.458262906917956
Energy: 0.44146377554661687
Energy: 0.4582629069159032
Energy: 0.4472530345485253
Energy: 0.449022885241003
Energy: 0.4393318749409967
Energy: 0.4490228852420294
Energy: 0.4929459857189885
Energy: 0.44526080216028036
Energy: 0.44883901600589116
Energy: 0.44526080215925395
Energy: 0.44026498394496827
Energy: 0.43676550505354894
Energy: 0.5095350701020442
Energy: 0.43676550505354894
Energy: 0.4267076142912881
Energy: 0.4633497698091017
Energy: 0.5108607397858197
Energy: 0.4633497698080753
Energy: 0.440123277815908
Energy: 0.4522722929863121
Energy: 0.6464090588688053
Energy: 0.4522722929893912
Energy: 0.4230258772163483
Energy: 0.4372617334330034
Energy: 0.46449031765205556
Energy: 0.43726173343402974
Energy: 0.4427388281620151
Energy: 0.43692016781426285
Energy: 0.7038074882547464
Energy: 0.43692016781426285
Energy: 0.6019819242058054
Energy: 0.46476859147968547
Energy: 0.5109942211075938
Energy: 0.46476859148789634
Energy: 0.4423835154726518
Energy: 0.45864611326432225
Energy: 0.6344992085520562
Energy: 0.4586461132674013
Energy: 0.5995824572723819
Energy: 0.4366393638005687
Energy: 0.4487612339905468
Energy: 0.43663936380159507
Energy: 0.44869559823045685
Energy: 0.4372365263301086
Energy: 0.5003614494251513
Energy: 0.4372365263270296
Energy: 0.6561000570025083
Energy: 0.5083558068342837
Energy: 0.44241001471718183
Energy: 0.5083558068322311
Energy: 0.5130772104101832
Energy: 0.46369172303510053
Energy: 0.49763940711512017
Energy: 0.46369172303510053
Energy: 0.652114734980172
Energy: 0.44892258934736146
Energy: 0.4410197754328281
Energy: 0.44892258934530865
Energy: 0.5399662554859956
Energy: 0.44463621250514385
Energy: 0.42983797876246016
Energy: 0.44463621250617025
Energy: 0.7580828248720568
Energy: 0.5085448914178632
Energy: 0.44263173123927674
Energy: 0.5085448914178632
Energy: 0.5129874173770951
Energy: 0.4652442170816176
Energy: 0.42873906737661166
Energy: 0.46524421709080827
Energy: 0.5113363379590203
Energy: 0.45876392297644836
Energy: 0.44453079583641086
Energy: 0.4587639229774747
Energy: 0.44887007358729475
Energy: 0.4391153119452697
Energy: 0.6043291967353671
Energy: 0.43911531194629605
Energy: 0.496259384416008
Energy: 0.508645937075096
Energy: 0.4512327936285078
Energy: 0.5086459370771488
Energy: 0.44526612880656324
Energy: 0.5075170326110349
Energy: 0.6547450639282879
Energy: 0.5075170326110349
Energy: 0.4291405451608085
Energy: 0.46398314697585086
Energy: 0.5158176123226549
Energy: 0.46398314697585086

minimum gb energy = 0.4230258772163483 eV
minimum distance =  2.25098308238146 Angstroms
sigma value = 41


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

Energy: 0.6254942145915535
Energy: 0.40712694529701565
Energy: 0.5706705569116616
Energy: 0.40712694529701565
Energy: 0.6265515663250955
Energy: 0.3982680760749911
Energy: 0.3934723039434837
Energy: 0.39826807607583253
Energy: 0.4063767693865456
Energy: 0.3916548509128708
Energy: 0.38537663163889113
Energy: 0.39165485090866353
Energy: 0.5139108790846443
Energy: 0.3987730791180095
Energy: 0.39336195784534644
Energy: 0.39877307911716803
Energy: 0.390941484956397
Energy: 0.4175285915441311
Energy: 0.3951391491276005
Energy: 0.41752859154665534
Energy: 0.3996591612898004
Energy: 0.3988680246929127
Energy: 0.39336807261928397
Energy: 0.3988680246945956
Energy: 0.39291587541213385
Energy: 0.3983204015536189
Energy: 0.39649793346654605
Energy: 0.39832040155446036
Energy: 0.3932250055509586
Energy: 0.40726029663573676
Energy: 0.391269139012681
Energy: 0.40726029663657815
Energy: 0.39468173716954946
Energy: 0.4073465259332633
Energy: 0.5667752884492233
Energy: 0.4073465259332633
Energy: 0.3942028375795671
Energy: 0.39208351495930704
Energy: 0.4069052712423832
Energy: 0.3920835149584656
Energy: 0.39297241244096
Energy: 0.39842264866755295
Energy: 0.71566861618933
Energy: 0.39842264866671157
Energy: 0.3934240473536561
Energy: 0.4074631827083902
Energy: 0.6254576869907944
Energy: 0.4074631827083902
Energy: 0.39463954841753646
Energy: 0.41024656538902154
Energy: 0.7144318585146225
Energy: 0.41024656539491167
Energy: 0.536464619006177
Energy: 0.4472638723009891
Energy: 0.4068155970657332
Energy: 0.4472638722993062
Energy: 0.39281466681657007
Energy: 0.39861329262326517
Energy: 0.6209471968765787
Energy: 0.39861329262326517
Energy: 0.5358126710335623
Energy: 0.4078798766121632
Energy: 0.3914224149609347
Energy: 0.40787987661132175
Energy: 0.3948655496638415
Energy: 0.4083831754077426
Energy: 0.562845045922207
Energy: 0.4083831754094256
Energy: 0.5268980503369513
Energy: 0.4470110931392312
Energy: 0.39324875886321287
Energy: 0.4470110931400727
Energy: 0.3928675359704734
Energy: 0.4075825175241931
Energy: 0.39433783864552585
Energy: 0.4075825175241931
Energy: 0.5280556390313723
Energy: 0.40836442981016974
Energy: 0.39690692661972315
Energy: 0.4083644298126941
Energy: 0.40834546551221584
Energy: 0.4084369856192477
Energy: 0.3926616008413543
Energy: 0.4084369856192477
Energy: 0.7133192535557077
Energy: 0.4176142607637398
Energy: 0.3933564508384722
Energy: 0.41761426089745407
Energy: 0.6255109079482005
Energy: 0.4063072337854593
Energy: 0.3934157068412593
Energy: 0.40630723378630074
Energy: 0.6315778138014068
Energy: 0.6651366892046908
Energy: 0.39704531888877104
Energy: 0.665136689203008
Energy: 0.40845366228218655
Energy: 0.4442433160996972
Energy: 0.39140439993907683
Energy: 0.4442433161022215
Energy: 0.6189894779372342
Energy: 0.41662864069048894
Energy: 0.3933414669986243
Energy: 0.4166286406930133
Energy: 0.39278502955182887
Energy: 0.4072278250437191
Energy: 0.5336794326048925
Energy: 0.40722782504287763
Energy: 0.39772970083807635
Energy: 0.4074044266520625
Energy: 0.3969888382558944
Energy: 0.40740442665037957
Energy: 0.3947762354012151
Energy: 0.4444468189927812
Energy: 0.5235873310263693
Energy: 0.4444468189919397
Energy: 0.3905710355288913
Energy: 0.42951970672446216
Energy: 0.395162677780047
Energy: 0.4295197067210963
Energy: 0.3968976422640996
Energy: 0.40734895641360996
Energy: 0.5322532678932081
Energy: 0.40734895639930524
Energy: 0.3941674801469602
Energy: 0.4074409699053099
Energy: 0.41060064487426484
Energy: 0.4074409699069928

minimum gb energy = 0.38537663163889113 eV
minimum distance =  2.23877359484803 Angstroms
sigma value = 15


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

Energy: 0.5643481237722031
Energy: 0.37089756494495363
Energy: 0.5455041613485998
Energy: 0.37089756494067666
Energy: 0.6463054500667544
Energy: 0.36847604827791147
Energy: 0.36897127664161417
Energy: 0.36847604827719865
Energy: 0.38158075609225567
Energy: 0.36793257686992714
Energy: 0.36253735323186187
Energy: 0.3679325768670758
Energy: 0.5629529702386301
Energy: 0.3692087405663276
Energy: 0.36889937149187213
Energy: 0.369208740560625
Energy: 0.3674775446997593
Energy: 0.37445185597113523
Energy: 0.5513825904936138
Energy: 0.37445185597755065
Energy: 0.5615973943758086
Energy: 0.3695442449344835
Energy: 0.3688720115090828
Energy: 0.3695442449344835
Energy: 0.3684947364743792
Energy: 0.37553031388188884
Energy: 0.366406016979169
Energy: 0.3755303138804632
Energy: 0.4623523679146681
Energy: 0.3749185024149278
Energy: 0.3689168625955293
Energy: 0.37491850240993807
Energy: 0.36977957309639414
Energy: 0.3756141989686458
Energy: 0.46818036754450426
Energy: 0.3756141989771998
Energy: 0.36510052130199666
Energy: 0.3683103114849375
Energy: 0.36775757208278675
Energy: 0.3683103114863631
Energy: 0.3686568248348577
Energy: 0.3691576896832122
Energy: 0.562583777418634
Energy: 0.3691576897836561
Energy: 0.3674406844513622
Energy: 0.3679696013843271
Energy: 0.38179360869970336
Energy: 0.36796960138290147
Energy: 0.3696965654499413
Energy: 0.37579463024129517
Energy: 0.7234813758764166
Energy: 0.375794630242008
Energy: 0.3651967047420375
Energy: 0.3699699274623442
Energy: 0.5644343805306987
Energy: 0.36996992746376983
Energy: 0.3686055919742415
Energy: 0.36868944553950234
Energy: 0.7233758035176155
Energy: 0.36868944554235367
Energy: 0.4904450438901479
Energy: 0.36807752320652826
Energy: 0.38152245481629704
Energy: 0.3680775232036769
Energy: 0.36987980080015714
Energy: 0.3750586125494248
Energy: 0.6404865474013848
Energy: 0.3750586125551274
Energy: 0.4801969507125508
Energy: 0.4992370567741606
Energy: 0.3676026947296765
Energy: 0.4992370567770119
Energy: 0.368740369956891
Energy: 0.3679500283594213
Energy: 0.5593235826960506
Energy: 0.36795002835870844
Energy: 0.48084862197732137
Energy: 0.36861932019548727
Energy: 0.3688756336392116
Energy: 0.36861932019548727
Energy: 0.36983738474681604
Energy: 0.38194918705402814
Energy: 0.4632731896846358
Energy: 0.38194918705402814
Energy: 0.4814023983213687
Energy: 0.37452017318152464
Energy: 0.37121986567608645
Energy: 0.374520173180099
Energy: 0.3687209661562872
Energy: 0.3681112973705744
Energy: 0.3631582011982707
Energy: 0.3681112973712873
Energy: 0.6653087770045443
Energy: 0.3688419626311055
Energy: 0.368908123919409
Energy: 0.368841962633244
Energy: 0.3825887338945438
Energy: 0.3816478387081037
Energy: 0.36413473684762504
Energy: 0.3816478387081037
Energy: 0.6485211312639191
Energy: 0.37424865884083225
Energy: 0.37125551064070134
Energy: 0.37424865883869374
Energy: 0.5650034515031012
Energy: 0.3678926245161834
Energy: 0.3629782708309422
Energy: 0.3678926245190347
Energy: 0.7204599152628856
Energy: 0.3694492629998504
Energy: 0.3689601005247808
Energy: 0.36944926299913766
Energy: 0.38259925344595647
Energy: 0.5157834665403092
Energy: 0.36101006390668633
Energy: 0.5157834665403092
Energy: 0.5667614604365135
Energy: 0.37506624151010587
Energy: 0.3711513573126793
Energy: 0.37506624151081874
Energy: 0.3686631998764353
Energy: 0.3686601450825594
Energy: 0.4855823158608166
Energy: 0.3686601450825594
Energy: 0.5591363827778594
Energy: 0.3676046966180759
Energy: 0.36894380264995486
Energy: 0.36760469957857855
Energy: 0.3698313769170844
Energy: 0.41824024555710226
Energy: 0.47761758034312696
Energy: 0.4182402455592407
Energy: 0.36777844633664597
Energy: 0.3816526573097166
Energy: 0.3712139354666067
Energy: 0.3816526573111423
Energy: 0.36008228117048247
Energy: 0.4006399060988096
Energy: 0.4832582683688126
Energy: 0.4006399060995225
Energy: 0.36382603985937456
Energy: 0.3679205488412849
Energy: 0.3701968608515548
Energy: 0.3679205488427105
Energy: 0.36998233993919855
Energy: 0.41663786504806266
Energy: 0.6621480947400752
Energy: 0.4166378650544781

minimum gb energy = 0.36008228117048247 eV
minimum distance =  2.24591367495937 Angstroms
sigma value = 85


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

Energy: 0.5690888027298685
Energy: 0.3629214412962681
Energy: 0.4183712414787644
Energy: 0.36292144134569887
Energy: 0.6881665136694701
Energy: 0.35637661640407853
Energy: 0.33474626734113394
Energy: 0.3563766164034603
Energy: 0.5492669454881953
Energy: 0.3599601108529936
Energy: 0.3316695535362777
Energy: 0.35996011085423
Energy: 0.6725174909846581
Energy: 0.3538017601134075
Energy: 0.33464314838453446
Energy: 0.3538017601170888
Energy: 0.39536420706359426
Energy: 0.33921073950967595
Energy: 0.33348631031810083
Energy: 0.33921073950782127
Energy: 0.5978196980306875
Energy: 0.35937613124408435
Energy: 0.3346011029511887
Energy: 0.3593761312094912
Energy: 0.37588989175488174
Energy: 0.3646319664227797
Energy: 0.3772834461231212
Energy: 0.3646319664240162
Energy: 0.5233438566439989
Energy: 0.35278095734967996
Energy: 0.3399614320356215
Energy: 0.35278095735274306
Energy: 0.33927069924693637
Energy: 0.34313827410692
Energy: 0.4633970038379212
Energy: 0.34313827410753817
Energy: 0.4421190532252279
Energy: 0.3607443756282216
Energy: 0.37618122629849443
Energy: 0.36074437562760336
Energy: 0.3357217932873552
Energy: 0.35326590139528674
Energy: 0.5436005890376214
Energy: 0.35326590139466857
Energy: 0.3557454786842718
Energy: 0.35714663995668117
Energy: 0.3957242851317515
Energy: 0.3571466399579177
Energy: 0.33436826253814955
Energy: 0.34246140765780353
Energy: 0.6157271057387173
Energy: 0.34246140765780353
Energy: 0.31740835798456557
Energy: 0.3601491306529018
Energy: 0.5493453921188899
Energy: 0.36014913065475657
Energy: 0.33535625167160393
Energy: 0.35327933307882387
Energy: 0.7460327222103206
Energy: 0.3532793330775874
Energy: 0.3120678936593487
Energy: 0.3553133230412597
Energy: 0.5238311589935788
Energy: 0.3553133230381685
Energy: 0.334415941219544
Energy: 0.3432991932373828
Energy: 0.708720593672379
Energy: 0.3432991932398558
Energy: 0.4206909417405942
Energy: 0.3600866264069365
Energy: 0.5494055393946997
Energy: 0.3600866264118824
Energy: 0.33545063777086165
Energy: 0.35374907245306636
Energy: 0.6721414452608143
Energy: 0.35374907245368464
Energy: 0.41989659827311204
Energy: 0.3554108347171832
Energy: 0.39605907098690696
Energy: 0.35541083473202095
Energy: 0.33492798816731556
Energy: 0.3480202030364115
Energy: 0.5978710552067077
Energy: 0.34802020303455683
Energy: 0.460256777874162
Energy: 0.35334499969985644
Energy: 0.37615558694892526
Energy: 0.3533449996973835
Energy: 0.34063870814113373
Energy: 0.35268099625580696
Energy: 0.5234403472110045
Energy: 0.3526809962545705
Energy: 0.46680762478285565
Energy: 0.365760314126009
Energy: 0.3398642018463891
Energy: 0.3657603141291002
Energy: 0.3771725785502012
Energy: 0.35397585870180115
Energy: 0.44260163067532443
Energy: 0.35397585870180115
Energy: 0.6229309747173136
Energy: 0.3532295322096419
Energy: 0.3362236926794584
Energy: 0.3532295322077872
Energy: 0.3967237448383297
Energy: 0.352766259989997
Energy: 0.35545191122084113
Energy: 0.3527662599869058
Energy: 0.6298816940143083
Energy: 0.36803113062077886
Energy: 0.3347321378207492
Energy: 0.36803113061954235
Energy: 0.5494098777623111
Energy: 0.36096120226087625
Energy: 0.35497985523077297
Energy: 0.3609612022658222
Energy: 0.7504376523991184
Energy: 0.35333922380266336
Energy: 0.33685536280927525
Energy: 0.3533392238008086
Energy: 0.5697036167820441
Energy: 0.3601191755735243
Energy: 0.311963878766999
Energy: 0.3601191755759972
Energy: 0.685283537676821
Energy: 0.3642121930087699
Energy: 0.3346556603407482
Energy: 0.36421219301124286
Energy: 0.5493850234694057
Energy: 0.36086268500105306
Energy: 0.3131071788865076
Energy: 0.3608626850004349
Energy: 0.6783730041134669
Energy: 0.35378664529495735
Energy: 0.3366371865101584
Energy: 0.35378664529743026
Energy: 0.39662045643899596
Energy: 0.3529569348613422
Energy: 0.42176975826343827
Energy: 0.3529569348619604
Energy: 0.5344818973300828
Energy: 0.37065464020232863
Energy: 0.3358686339108096
Energy: 0.37065464019679256
Energy: 0.37717889161470736
Energy: 0.3534457456860265
Energy: 0.4605858219213847
Energy: 0.35344574568417175
Energy: 0.5233717470289565
Energy: 0.3525722685422667
Energy: 0.34086461611542535
Energy: 0.35257226853793905
Energy: 0.34091051691840346
Energy: 0.3529293802275898
Energy: 0.46717091057775745
Energy: 0.3529293802275898
Energy: 0.36367152824915
Energy: 0.3762215707001561
Energy: 0.3786385370793954
Energy: 0.3762215706989196
Energy: 0.33673516512325635
Energy: 0.35366765720129617
Energy: 0.6225324449080943
Energy: 0.35366765720129617
Energy: 0.3554795000711542
Energy: 0.35259313626970723
Energy: 0.39854094441962573
Energy: 0.3525931362678526
Energy: 0.3357369225982281
Energy: 0.3540040791724716
Energy: 0.6299568435733097
Energy: 0.35400407917432636

minimum gb energy = 0.311963878766999 eV
minimum distance =  2.25755034810867 Angstroms
sigma value = 113


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

Energy: 0.015356015357149295
Energy: 0.015892636131321504
Energy: 0.4457031655052448
Energy: 0.01589263613039737
Energy: 0.4454962191422961
Energy: 0.16563470344890452
Energy: 0.1665287713675255
Energy: 0.1656347034498551
Energy: 0.015356015357149295
Energy: 0.015892636131321504
Energy: 0.4457031654378887
Energy: 0.015892636130846235
Energy: 0.445496219142745
Energy: 0.16563470344890452
Energy: 0.1665287713675255
Energy: 0.16563470344890452
Energy: 0.015356015357149295
Energy: 0.015892636130846235
Energy: 0.4457031657384167
Energy: 0.015892636130846235
Energy: 0.44549621914322024
Energy: 0.16563470344890452
Energy: 0.16652877136707664
Energy: 0.1656347034498551

minimum gb energy = 0.015356015357149295 eV
minimum distance =  2.45487917072987 Angstroms
sigma value = 1