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
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.5988697414274238e-19, 2.3622171856369197e-19, 2.8901343865399195e-19, 3.28244335714116e-19, 3.5890358778233996e-19, 3.8387991932976594e-19, 4.04703409041864e-19, 4.222712758336739e-19, 4.37421458084778e-19, 4.5085250480759995e-19, 4.62921701391522e-19, 4.737524154373619e-19, 4.83383099184336e-19, 4.918457961651239e-19, 4.991805607955759e-19, 5.05441867081248e-19, 5.1068579120433e-19, 5.14973215876914e-19, 5.18389056460602e-19, 5.21024637023532e-19, 5.229664751039399e-19, 5.242786577671859e-19, 5.250284764318979e-19, 5.252639963970959e-19, 5.250076481356559e-19, 5.241921402289499e-19, 5.227261486088399e-19, 5.20489510027776e-19, 5.17333222058796e-19, 5.13052206092748e-19, 5.07382102985022e-19, 4.99986455642478e-19, 4.90448698140276e-19, 4.78272155721876e-19, 4.6287684044577e-19, 4.435770207126059e-19, 4.19467466724174e-19, 3.89295276352686e-19, 3.5130286183064396e-19, 3.0311099085655796e-19, 2.4164027993988e-19, 1.6302788121603597e-19, 6.2229341552877e-20, -6.80974736925654e-20, -2.3843592667188e-19, -4.6209978477828e-19, -7.580506482574919e-19, -1.159320592772694e-18, -1.72400614524936e-18, -2.5533408363067797e-18, -3.82902591583026e-18, -5.9108942340498596e-18, -9.6145818718023e-18]
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: 0.013549998346559816
Energy: 0.014121605342108084
Energy: 0.45103285397023324
Energy: 0.0684284421935666
Energy: 0.014121605342108084
Energy: 0.5274456855716376
Energy: 0.0684284421935666
Energy: 0.5274456855729446
Energy: 0.45103285397023324
Energy: 0.0684284421935666
Energy: 0.013549998346559816
Energy: 0.014121605342108084
Energy: 0.0684284421935666
Energy: 0.5274456855722724
Energy: 0.014121605342108084
Energy: 0.5274456855716376

minimum gb energy = 0.013549998346559816 eV
minimum distance =  2.40577907256166 Angstroms
sigma value = 1


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

Energy: 0.8462550833225078
Energy: 0.5395587084474739
Energy: 0.5780996244371375
Energy: 0.5769447831557863
Energy: 0.567479392756702
Energy: 0.5881805217870385
Energy: 0.5539387970667453
Energy: 0.5881805217878536
Energy: 0.5783826650596523
Energy: 0.5772956680219843
Energy: 0.9173658227251393
Energy: 0.5772956680227994
Energy: 0.554007700407272
Energy: 0.554917718008616
Energy: 0.5548015870329384
Energy: 0.5549177180094311
Energy: 0.7870917600979033
Energy: 0.5535582588261461
Energy: 0.5541235429766268
Energy: 0.5535582588269612
Energy: 0.5560598050546697
Energy: 0.6219536373824347
Energy: 0.5541410624567695
Energy: 0.6219536373816196
Energy: 0.5846668799329597
Energy: 0.6000802820174731
Energy: 0.5838414598465022
Energy: 0.6000802820174731
Energy: 0.5895469399583986
Energy: 0.5986606766561188
Energy: 0.6052510939509878
Energy: 0.5986606766569339
Energy: 0.5958842850120672
Energy: 0.6255615713578179
Energy: 0.5974051477058013
Energy: 0.6255615713570029
Energy: 0.5994408298485656
Energy: 0.6213602842349911
Energy: 0.5967071332734434
Energy: 0.621360284234176
Energy: 0.5948794138020665
Energy: 0.6246605804360529
Energy: 0.596223930910656
Energy: 0.6246605804376831
Energy: 0.5873244285255101
Energy: 0.6239608720813457
Energy: 0.6031547973969855
Energy: 0.6239608720813457
Energy: 0.5982442944182014
Energy: 0.599974200181284
Energy: 0.5860799078347285
Energy: 0.599974200181284
Energy: 0.5629277381560686
Energy: 0.602151177973882
Energy: 0.5845012787268036
Energy: 0.602151177973882
Energy: 0.5706467561476442
Energy: 0.5523541815559145
Energy: 0.5523356282642377
Energy: 0.5523541815550994
Energy: 0.5377068517685732
Energy: 0.5540354076752094
Energy: 0.5537229266051392
Energy: 0.5540354076752094
Energy: 0.5771832951834726
Energy: 0.5765665965658912
Energy: 0.5364839931592766
Energy: 0.5765665965658912
Energy: 0.5542512981553325
Energy: 0.5542088920245001
Energy: 0.5676691249127753
Energy: 0.5542088920245001
Energy: 0.5536594093341397
Energy: 0.5777720521529425
Energy: 0.5796869073533368
Energy: 0.5777720521529425
Energy: 0.5549062617327322
Energy: 0.5538545058308174
Energy: 0.5538602262259315
Energy: 0.5538545058308174
Energy: 0.5561341785690389
Energy: 0.554168418761436
Energy: 0.5969416105490016
Energy: 0.554168418761436
Energy: 0.5544163888734869
Energy: 0.5539995715218533
Energy: 0.5555363961356744
Energy: 0.5539995715226684
Energy: 0.5975972534249474
Energy: 0.6019637563779353
Energy: 0.5854223073707892
Energy: 0.6019637563771202
Energy: 0.5707619473794534
Energy: 0.6031089904981111
Energy: 0.5869307000102948
Energy: 0.6031089904981111
Energy: 0.5968493640388002
Energy: 0.6256903993625235
Energy: 0.5958852113188992
Energy: 0.6256903993625235
Energy: 0.599311062027851
Energy: 0.6233410943625184
Energy: 0.6006705179772527
Energy: 0.6233410943633334
Energy: 0.5964790834401996
Energy: 0.6248494798400457
Energy: 0.5947772252510232
Energy: 0.6248494798408608
Energy: 0.60165733826254
Energy: 0.6239372446939201
Energy: 0.5980306627755206
Energy: 0.623937244693105
Energy: 0.5704151409907837
Energy: 0.6000185940232579
Energy: 0.599958697966271
Energy: 0.6000185940224427
Energy: 0.584627696450321
Energy: 0.6014651468223037
Energy: 0.5899426301221269
Energy: 0.6014651468214885
Energy: 0.5520217655294171
Energy: 0.5523504059937043
Energy: 0.5680515159734193
Energy: 0.5523504059945195
Energy: 0.5535103813693686
Energy: 0.5533710899594269
Energy: 0.5374899666624892
Energy: 0.5533710899594269
Energy: 0.5363079581930209
Energy: 0.5547578591177235
Energy: 0.5775551060583689
Energy: 0.5547578591185386

minimum gb energy = 0.5363079581930209 eV
minimum distance =  2.1845515566445 Angstroms
sigma value = 1


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

Energy: 0.9585669590003402
Energy: 0.5652653636760586
Energy: 0.6092310145909424
Energy: 0.6080608422955154
Energy: 0.6016282531883587
Energy: 0.6173554392743194
Energy: 0.5833941192762745
Energy: 0.61735543927339
Energy: 0.6091015255122768
Energy: 0.6083633924295521
Energy: 0.8826542503737881
Energy: 0.6083633924276932
Energy: 0.5836257895881555
Energy: 0.5820541908525525
Energy: 0.5832819911723517
Energy: 0.5820541908497642
Energy: 0.5826117889530731
Energy: 0.5825702442333944
Energy: 0.5841697780534757
Energy: 0.5825702442296767
Energy: 0.5843150412062225
Energy: 0.6586339320881237
Energy: 0.5838210673422215
Energy: 0.6586339320872365
Energy: 0.6206910733697455
Energy: 0.6372723726562609
Energy: 0.6183501339195732
Energy: 0.6372723726525432
Energy: 0.6187280904581536
Energy: 0.6396695934635912
Energy: 0.6367960798394346
Energy: 0.6396695934635912
Energy: 0.618611087133338
Energy: 0.6616841475703573
Energy: 0.629058983097944
Energy: 0.6616841475657101
Energy: 0.6350767232762977
Energy: 0.6615130142372778
Energy: 0.6208568486476946
Energy: 0.6615130142317014
Energy: 0.6040132363166634
Energy: 0.6373258280064823
Energy: 0.622558422797597
Energy: 0.6373258280009058
Energy: 0.6184678599817939
Energy: 0.6380891256116709
Energy: 0.585452736277373
Energy: 0.638089125605165
Energy: 0.5817107084196768
Energy: 0.5818606144241856
Energy: 0.6030437575152837
Energy: 0.581860614425115
Energy: 0.5834226160411924
Energy: 0.5832198595905433
Energy: 0.5622140863272939
Energy: 0.583219859589614
Energy: 0.5612037488893888
Energy: 0.607425884544775
Energy: 0.608345512530728
Energy: 0.6074258845438455
Energy: 0.6020859115235743
Energy: 0.5822652678965748
Energy: 0.5831655870949112
Energy: 0.5822652679002924
Energy: 0.6088219029864971
Energy: 0.6088449035779624
Energy: 0.5831924537416513
Energy: 0.6088449035751742
Energy: 0.5833974181295066
Energy: 0.5831975013278947
Energy: 0.583671531976871
Energy: 0.5831975013297536
Energy: 0.5830368480658179
Energy: 0.5835902982587338
Energy: 0.5834116275970636
Energy: 0.5835902982578044
Energy: 0.5841215095054996
Energy: 0.5828902158423872
Energy: 0.5840130773720281
Energy: 0.5828902158386695
Energy: 0.6188388625989107
Energy: 0.6382411008903007
Energy: 0.618001810801416
Energy: 0.6382411008921596
Energy: 0.617886743563318
Energy: 0.6377718538398323
Energy: 0.601435881726924
Energy: 0.6377718538342559
Energy: 0.6185032734338849
Energy: 0.6622128881217109
Energy: 0.6283737673810316
Energy: 0.6622128881198521
Energy: 0.6352149843758335
Energy: 0.6605213160111911
Energy: 0.6349058577407041
Energy: 0.6605213160149088
Energy: 0.6027055121693027
Energy: 0.6373967390114745
Energy: 0.6426272899169764
Energy: 0.6373967390179806
Energy: 0.6181903906273193
Energy: 0.6388493447504633
Energy: 0.5845876115174156
Energy: 0.6388493447513927
Energy: 0.5812126660642569
Energy: 0.5816287932982784
Energy: 0.601632393107232
Energy: 0.5816287932982784
Energy: 0.5833720626954996
Energy: 0.5827221637394415
Energy: 0.5620083259235676
Energy: 0.5827221637385123
Energy: 0.5612883199210715
Energy: 0.5842721337781596
Energy: 0.6086763975577902
Energy: 0.5842721337763007

minimum gb energy = 0.5612037488893888 eV
minimum distance =  2.1871998313434 Angstroms
sigma value = 25


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

Energy: 0.9166285704721694
Energy: 0.5929982011195916
Energy: 0.641713006341102
Energy: 0.6421229408818164
Energy: 0.6428391404703376
Energy: 0.6489135419013362
Energy: 0.6169502055537296
Energy: 0.6489135419013362
Energy: 0.6416260982084155
Energy: 0.64248525076444
Energy: 0.6156516644080601
Energy: 0.64248525076444
Energy: 0.6170389444476307
Energy: 0.6157508128514854
Energy: 0.6166939012300396
Energy: 0.6157508128514854
Energy: 0.6168896460903495
Energy: 0.615725276320164
Energy: 0.6161936352682464
Energy: 0.615725276320164
Energy: 0.6181467134750387
Energy: 0.6174912718933345
Energy: 0.6181615978008805
Energy: 0.6174912718933345
Energy: 0.6518518802865844
Energy: 0.6830030087467304
Energy: 0.6503469867706542
Energy: 0.6830030087467304
Energy: 0.6508875205000353
Energy: 0.6841412080660393
Energy: 0.5979278879136368
Energy: 0.6841412080671198
Energy: 0.6511276786703845
Energy: 0.6828212922563208
Energy: 0.6420794151291311
Energy: 0.6828212922563208
Energy: 0.6182007400191164
Energy: 0.6830649587464237
Energy: 0.6183505394890763
Energy: 0.6830649587464237
Energy: 0.5879263356326166
Energy: 0.6161354363224211
Energy: 0.6163248037322383
Energy: 0.6161354363224211
Energy: 0.5882242641415856
Energy: 0.6158789659339843
Energy: 0.6167744388436759
Energy: 0.6158789659339843
Energy: 0.6424617806548313
Energy: 0.6418601923265762
Energy: 0.5881126409105739
Energy: 0.6418601923265762
Energy: 0.6168031373542563
Energy: 0.6174528835628355
Energy: 0.6431239116430926
Energy: 0.617452883561755
Energy: 0.6173561641563466
Energy: 0.6426416789523947
Energy: 0.643171921530213
Energy: 0.6426416789513143
Energy: 0.6166269277594023
Energy: 0.6166208902788481
Energy: 0.6169424177474065
Energy: 0.6166208902799285
Energy: 0.618366152122086
Energy: 0.6189717600997525
Energy: 0.6164122289607169
Energy: 0.6189717600997525
Energy: 0.6181817610862267
Energy: 0.6160662664814243
Energy: 0.6194780501462026
Energy: 0.6160662664803439
Energy: 0.6502054326166941
Energy: 0.6842772019950726
Energy: 0.6633000199205364
Energy: 0.6842772019950726
Energy: 0.598447596725312
Energy: 0.6833353450403991
Energy: 0.6616364217006201
Energy: 0.6833353450414795
Energy: 0.6424189738645789
Energy: 0.6828218456270104
Energy: 0.6512471616483532
Energy: 0.6828218456270104
Energy: 0.6425876574453145
Energy: 0.6828930584064206
Energy: 0.617635926487135
Energy: 0.6828930584064206
Energy: 0.6157504084447087
Energy: 0.6160453196207231
Energy: 0.5884399407258373
Energy: 0.6160453196207231
Energy: 0.6171252357263592
Energy: 0.6161527428448561
Energy: 0.5881322010439134
Energy: 0.6161527428448561
Energy: 0.5877750144313819
Energy: 0.6172474001236138
Energy: 0.643253815079574
Energy: 0.6172474001236138

minimum gb energy = 0.5877750144313819 eV
minimum distance =  2.19525295004731 Angstroms
sigma value = 9


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

Energy: 0.8539614190849237
Energy: 0.6209602650515249
Energy: 0.6791089976281989
Energy: 0.6789129541310631
Energy: 0.6904648671392611
Energy: 0.6815841922767294
Energy: 0.6573042040758457
Energy: 0.6815841922767294
Energy: 0.6785860464764457
Energy: 0.6787724296357726
Energy: 0.6795808175220431
Energy: 0.6787724296370614
Energy: 0.6544661999237633
Energy: 0.6829744973022299
Energy: 0.6573184360402866
Energy: 0.6829744973035187
Energy: 0.6553204076037003
Energy: 0.6575077438578034
Energy: 0.6562974255439017
Energy: 0.6575077438603812
Energy: 0.6546471148100718
Energy: 0.6581348846956486
Energy: 0.6582170954616385
Energy: 0.6581348846943599
Energy: 0.6932058705332105
Energy: 0.7370568773655811
Energy: 0.6570328510778143
Energy: 0.7370568773642922
Energy: 0.6629790644187622
Energy: 0.7369486132332316
Energy: 0.6619048350364958
Energy: 0.7369486132306539
Energy: 0.6553228122152122
Energy: 0.6570957619599743
Energy: 0.6145813023088287
Energy: 0.6570957619574259
Energy: 0.6573238286402846
Energy: 0.6575204094184448
Energy: 0.6149426954547135
Energy: 0.6575204094223114
Energy: 0.6144971223547576
Energy: 0.6790647540757376
Energy: 0.6780723773979319
Energy: 0.6790647540757376
Energy: 0.6901672063307035
Energy: 0.6556019435864446
Energy: 0.6571195192801068
Energy: 0.6556019435877335
Energy: 0.6810254935864124
Energy: 0.679743742705932
Energy: 0.6887261992455967
Energy: 0.6797437427072208
Energy: 0.6786950249244259
Energy: 0.6564554234954733
Energy: 0.6525209666021358
Energy: 0.6564554234941843
Energy: 0.6555914463923566
Energy: 0.657681487268727
Energy: 0.6579227480638301
Energy: 0.657681487270016
Energy: 0.6550264366406547
Energy: 0.6576305495312624
Energy: 0.6575506967087836
Energy: 0.6576305495299736
Energy: 0.6909978876152678
Energy: 0.7378410947386255
Energy: 0.6578699618767193
Energy: 0.7378410947373365
Energy: 0.6904214156907996
Energy: 0.7372982474607095
Energy: 0.657579130942547
Energy: 0.7372982474632873
Energy: 0.654983081685269
Energy: 0.6569882794913231
Energy: 0.6145117596710158
Energy: 0.6569882794926121
Energy: 0.6630857466220883
Energy: 0.6571993381702367
Energy: 0.6150123937723448
Energy: 0.6571993381702367
Energy: 0.6140796264920778
Energy: 0.65421343699781
Energy: 0.6795385333124657
Energy: 0.6542134369990988

minimum gb energy = 0.6140796264920778 eV
minimum distance =  2.21806167108314 Angstroms
sigma value = 25


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

Energy: 0.7680247524856987
Energy: 0.6534024573418377
Energy: 0.7239266499889284
Energy: 0.7233634700005358
Energy: 0.7205115190858877
Energy: 0.695366702512411
Energy: 0.6642715861910786
Energy: 0.695366702510817
Energy: 0.7228840376272002
Energy: 0.7232008208889681
Energy: 0.722865486769431
Energy: 0.723200820890562
Energy: 0.7230817259400677
Energy: 0.6957857854487928
Energy: 0.6647644115214988
Energy: 0.6957857854487928
Energy: 0.6625183162579567
Energy: 0.7121844408179656
Energy: 0.6661939134353729
Energy: 0.7121844408179656
Energy: 0.6480108283344773
Energy: 0.7116122888601163
Energy: 0.6630712040980822
Energy: 0.7116122888521467
Energy: 0.6450334842663645
Energy: 0.6637466719058901
Energy: 0.6654565815817083
Energy: 0.6637466718771994
Energy: 0.6456196054804141
Energy: 0.6965192511309796
Energy: 0.6660975782376528
Energy: 0.6965192511309796
Energy: 0.7220472332418519
Energy: 0.7233030104240379
Energy: 0.7976789362004207
Energy: 0.7233030104240379
Energy: 0.7366039363223887
Energy: 0.6501041139378508
Energy: 0.7203295887841101
Energy: 0.6501041139378508
Energy: 0.728790363848095
Energy: 0.7232186654315044
Energy: 0.7267129508160147
Energy: 0.7232186654330983
Energy: 0.7225036323749738
Energy: 0.6973307436253041
Energy: 0.7226902835276091
Energy: 0.6973307436237101
Energy: 0.6635173555561474
Energy: 0.6516619704950928
Energy: 0.6623716207017291
Energy: 0.6516619707340738
Energy: 0.6654755034698061
Energy: 0.7129403056108983
Energy: 0.649587151396777
Energy: 0.7129403056108983
Energy: 0.7066577818708425
Energy: 0.7111674771705991
Energy: 0.6457150877125923
Energy: 0.7111674771705991
Energy: 0.6636450887675555
Energy: 0.6641639966741213
Energy: 0.6452910503519736
Energy: 0.6641639984154908
Energy: 0.7929510588064376
Energy: 0.6489765941550422
Energy: 0.7240827658094416
Energy: 0.6489765941566361

minimum gb energy = 0.6450334842663645 eV
minimum distance =  2.25379871832599 Angstroms
sigma value = 17


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

Energy: 1.0489840254964848
Energy: 0.7455582652051025
Energy: 0.792212002452787
Energy: 0.7905491508317245
Energy: 0.6653947197657522
Energy: 0.715925199257549
Energy: 0.7526974235675234
Energy: 0.7159251992485218
Energy: 0.7063160487488419
Energy: 0.7045686385826156
Energy: 0.7911093529656505
Energy: 0.7045686385826156
Energy: 0.7052013666548083
Energy: 0.7468423277673372
Energy: 0.7137662307892948
Energy: 0.7468423277673372
Energy: 0.7057602184025229
Energy: 0.7659137838092475
Energy: 0.6659607790685648
Energy: 0.7659137838092475
Energy: 0.7040219797233762
Energy: 0.7420733580791182
Energy: 0.7037973536995448
Energy: 0.7420733580791182
Energy: 0.7382016217228838
Energy: 0.7030201537820593
Energy: 0.7043733319442147
Energy: 0.7030201537820593
Energy: 0.8353444677200454
Energy: 0.7134168858399939
Energy: 0.679912106664338
Energy: 0.7134168858399939
Energy: 0.7933434914274566
Energy: 0.7895402188794082
Energy: 0.7933281749479969
Energy: 0.7895402188803109
Energy: 0.7933241783560425
Energy: 0.7559836331495013
Energy: 0.7642328621921457
Energy: 0.7559836331504041
Energy: 0.7039793044497654
Energy: 0.6852708703080284
Energy: 0.6779821783361887
Energy: 0.6852708703089311
Energy: 0.7510892181621127
Energy: 0.701918412295654
Energy: 0.6840273245723342
Energy: 0.701918412295654
Energy: 0.7383800861768743
Energy: 0.7017476866793926
Energy: 0.7007553138381796
Energy: 0.7017476866793926
Energy: 0.7384778206254926
Energy: 0.7014379315086245
Energy: 0.6789748644368052
Energy: 0.7014379315095273
Energy: 0.7919267970187056
Energy: 0.7975107009882094
Energy: 0.8359830766459516
Energy: 0.7975107009882094
Energy: 0.7972850217431116
Energy: 0.7895293045589571
Energy: 0.8360599837641577
Energy: 0.7895293045589571
Energy: 0.792336393930008
Energy: 0.7035352184430023
Energy: 0.7043270936724793
Energy: 0.7035352184420995
Energy: 0.7916350528812672
Energy: 0.7036276430287957
Energy: 0.7037408777963222
Energy: 0.7036276430287957
Energy: 0.7070071899140423
Energy: 0.7656600672649136
Energy: 0.7042211994898434
Energy: 0.7656600672640109
Energy: 0.7337766193192238
Energy: 0.7651776434013393
Energy: 0.7041641078388962
Energy: 0.7651776434013393
Energy: 0.7063477723911387
Energy: 0.7136489706868069
Energy: 0.8113211937745177
Energy: 0.7136489706859042
Energy: 0.7038874221684385
Energy: 0.7044921170415773
Energy: 0.7398699541234075
Energy: 0.70449211704248
Energy: 0.7528674990830204
Energy: 0.7535153174959778
Energy: 0.7535516317692353
Energy: 0.753515317495075
Energy: 0.7949243616724161
Energy: 0.7895525061926321
Energy: 0.7900032506206159
Energy: 0.7895525061935348
Energy: 0.6827236571914518
Energy: 0.702306822305892
Energy: 0.7900199604940907
Energy: 0.702306822305892
Energy: 0.6823027687870756
Energy: 0.7021282922742195
Energy: 0.7045355774399086
Energy: 0.7021282922751222
Energy: 0.6781067212287805
Energy: 0.6799067555038829
Energy: 0.7393163128604695
Energy: 0.6799067555038829
Energy: 0.6838004264263764
Energy: 0.7004693991159271
Energy: 0.7386776830903696
Energy: 0.7004693991159271
Energy: 0.6973936329560794
Energy: 0.7010306647284279
Energy: 0.7455333579842105
Energy: 0.7010306647284279
Energy: 0.8471222185851089
Energy: 0.7894784001243402
Energy: 0.7909219528133768
Energy: 0.7894784001225348

minimum gb energy = 0.6653947197657522 eV
minimum distance =  2.21532934848973 Angstroms
sigma value = 53


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

Energy: 0.9570851046794825
Energy: 0.6504050861061544
Energy: 0.748499688471537
Energy: 0.7473804000355863
Energy: 0.8396762271055558
Energy: 0.683565661767776
Energy: 0.7433982310017015
Energy: 0.6835656617698541
Energy: 0.7465000687715219
Energy: 0.7456262350560269
Energy: 0.7455065328078784
Energy: 0.7456262350539486
Energy: 0.7441348370179024
Energy: 0.6841698218465403
Energy: 0.7433721014803589
Energy: 0.6841698218486184
Energy: 0.7481173166136231
Energy: 0.6836627513275098
Energy: 0.6466311796429238
Energy: 0.6836627513295882
Energy: 0.7435144899840113
Energy: 0.6858529764545416
Energy: 0.6533626531100848
Energy: 0.6858529764524633
Energy: 0.8372227485458037
Energy: 0.7436807925090625
Energy: 0.7429295032331982
Energy: 0.7436807925090625
Energy: 0.8371359462734029
Energy: 0.6857054285425359
Energy: 0.7429670577965292
Energy: 0.6857054285425359
Energy: 0.7455176502454489
Energy: 0.74443257018521
Energy: 0.7472462103245522
Energy: 0.74443257018521
Energy: 0.7423443317950782
Energy: 0.6864207355017152
Energy: 0.7446429384056732
Energy: 0.6864207355037935
Energy: 0.747620682329173
Energy: 0.6881692146475156
Energy: 0.6567881287871515
Energy: 0.6881692146454372
Energy: 0.7445054340814533
Energy: 0.6837155217372534
Energy: 0.6417194901932017
Energy: 0.6837155217372534
Energy: 0.8373150642706225
Energy: 0.7441282830039182
Energy: 0.7424763693398085
Energy: 0.7441282830059964

minimum gb energy = 0.6417194901932017 eV
minimum distance =  2.238179896603 Angstroms
sigma value = 9


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

Energy: 0.9332368364019348
Energy: 0.7705311587195155
Energy: 0.8315204534253424
Energy: 0.8288528910136653
Energy: 0.7319362735292244
Energy: 0.6973759175205076
Energy: 0.8273722791811402
Energy: 0.6973759175189692
Energy: 0.7031130340116875
Energy: 0.6984962026668622
Energy: 0.8150959320378139
Energy: 0.6984962026676315
Energy: 0.7008998218989136
Energy: 0.6980078040795098
Energy: 0.8279003286450102
Energy: 0.6980078040779715
Energy: 0.6968392894072064
Energy: 0.696132941046649
Energy: 0.8772018789539018
Energy: 0.696132941046649
Energy: 0.6962770656824384
Energy: 0.6963555231527524
Energy: 0.8747145825266937
Energy: 0.6963555231535217
Energy: 0.8241513238109025
Energy: 0.8162365307794247
Energy: 0.8246516236776454
Energy: 0.816236530780194
Energy: 0.8259918853610803
Energy: 0.815785871899733
Energy: 0.8151957065942623
Energy: 0.8157858718989636
Energy: 0.7287777761690089
Energy: 0.7796784209677762
Energy: 0.7495259937217283
Energy: 0.7796784209670069
Energy: 0.6987488975189343
Energy: 0.75397350789766
Energy: 0.818517497566849
Energy: 0.7539735078968909
Energy: 0.7257844757503168
Energy: 0.7267751003931701
Energy: 0.7607050369052015
Energy: 0.7267751003931701
Energy: 0.7375556322374721
Energy: 0.7278980789274848
Energy: 0.8685096334223474
Energy: 0.7278980789282541
Energy: 0.8258419439524313
Energy: 0.7270126286437951
Energy: 0.74054710455427
Energy: 0.7270126286437951
Energy: 0.8247450759338375
Energy: 0.7269910104156333
Energy: 0.7296283242432516
Energy: 0.7269910104156333
Energy: 0.8156279689074397
Energy: 0.7436672413169498
Energy: 0.7356593625899145
Energy: 0.743667241317719
Energy: 0.7623958060801721
Energy: 0.7825925694723891
Energy: 0.7357963393374927
Energy: 0.7825925694723891
Energy: 0.8192363786548276
Energy: 0.7661024231795571
Energy: 0.7290629063353812
Energy: 0.766102423178788
Energy: 0.8280198072294979
Energy: 0.8172396768230201
Energy: 0.930272492604462
Energy: 0.8172396768230201
Energy: 0.8270651084745203
Energy: 0.69635038880915
Energy: 0.731384399093726
Energy: 0.6963503888099193
Energy: 0.8699583911568455
Energy: 0.6997247900755601
Energy: 0.7037522262561918
Energy: 0.6997247900755601
Energy: 0.8280444510550141
Energy: 0.6973906611616184
Energy: 0.6987343731204455
Energy: 0.697390661160849
Energy: 0.8751304099808074
Energy: 0.6959635663943725
Energy: 0.6960479235128062
Energy: 0.6959635663943725
Energy: 0.8770471275321112
Energy: 0.6965101114998875
Energy: 0.6963757677934792
Energy: 0.6965101115014259
Energy: 0.8257373521057975
Energy: 0.8158492921649148
Energy: 0.8239139587356263
Energy: 0.8158492921641457
Energy: 0.815705921765306
Energy: 0.8156490252302497
Energy: 0.8258211123591066
Energy: 0.8156490252294806
Energy: 0.7373821328742634
Energy: 0.822619108922287
Energy: 0.727724683058462
Energy: 0.822619108922287
Energy: 0.8205762206305779
Energy: 0.7565720189218662
Energy: 0.6985468960333018
Energy: 0.7565720189210968
Energy: 0.7604710008694942
Energy: 0.7271630694511252
Energy: 0.7264434161636273
Energy: 0.7271630694511252
Energy: 0.869553363909842
Energy: 0.7376778058836735
Energy: 0.7380101664982982
Energy: 0.7376778058829043
Energy: 0.7416359271116723
Energy: 0.7273545352967469
Energy: 0.8270903577808022
Energy: 0.7273545352952084
Energy: 0.7308728157646663
Energy: 0.7275518185885123
Energy: 0.815072296282642
Energy: 0.7275518185900506
Energy: 0.7314073520348021
Energy: 0.7318434900505295
Energy: 0.8159888186645442
Energy: 0.7318434900536063
Energy: 0.7366250764944432
Energy: 0.7856506975114743
Energy: 0.7732332939559837
Energy: 0.7856506975122435
Energy: 0.7280043076582691
Energy: 0.7668642273174427
Energy: 0.7660747492782987
Energy: 0.7668642273166737
Energy: 0.8686739957195306
Energy: 0.8162004147026991
Energy: 0.8234359386432305
Energy: 0.8162004147011609

minimum gb energy = 0.6959635663943725 eV
minimum distance =  2.21326979271027 Angstroms
sigma value = 73


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

Energy: 0.9973574422899304
Energy: 0.7373149077745466
Energy: 0.8009572102873351
Energy: 0.800370578360471
Energy: 0.7362874696028985
Energy: 0.7044375686377371
Energy: 0.783954856119811
Energy: 0.7044375686389572
Energy: 0.7092750496119851
Energy: 0.7065529053906104
Energy: 0.8037302852541071
Energy: 0.70655290538939
Energy: 0.7056287339490537
Energy: 0.7055513875273303
Energy: 0.8554296309761054
Energy: 0.7055513875261099
Energy: 0.7069252340926112
Energy: 0.7067830373428726
Energy: 0.8347308933091055
Energy: 0.7067830373440929
Energy: 0.7459146470839911
Energy: 0.7067962479260993
Energy: 0.8194621255355109
Energy: 0.7067962479260993
Energy: 0.7815604860921862
Energy: 0.8027001396184194
Energy: 0.8145358496577655
Energy: 0.8027001396208602
Energy: 0.7455999860895809
Energy: 0.8024040828476223
Energy: 0.8021195120324938
Energy: 0.8024040828476223
Energy: 0.7300378721301839
Energy: 0.7871418515533807
Energy: 0.803466014471466
Energy: 0.7871418515558215
Energy: 0.7467887462134272
Energy: 0.810100826373651
Energy: 0.8029440722773331
Energy: 0.810100826373651
Energy: 0.7311613527921127
Energy: 0.6875015449531953
Energy: 0.7015464028460486
Energy: 0.6875015449544155
Energy: 0.7316780488672714
Energy: 0.6903771767998685
Energy: 0.8442952515707128
Energy: 0.6903771767962076
Energy: 0.8062925120407528
Energy: 0.7365918274076031
Energy: 0.730234057750684
Energy: 0.7365918274076031
Energy: 0.80341161317197
Energy: 0.7311314594827371
Energy: 0.7284878901671903
Energy: 0.7311314594827371
Energy: 0.8128026590439013
Energy: 0.7315534708594359
Energy: 0.7300295707979213
Energy: 0.7315534708594359
Energy: 0.8535550128698332
Energy: 0.7302316445661485
Energy: 0.7302830141070833
Energy: 0.7302316445661485
Energy: 0.8180195781178206
Energy: 0.7307822930868941
Energy: 0.7292935648879828
Energy: 0.7307822930856739
Energy: 0.7931338893927861
Energy: 0.7905185395335919
Energy: 0.7831289766602685
Energy: 0.7905185395348123
Energy: 0.779393919632341
Energy: 0.7536647480573498
Energy: 0.7457364088147624
Energy: 0.7536647480585703
Energy: 0.8025699161081515
Energy: 0.7554843087729102
Energy: 0.7768886388718477
Energy: 0.7554843087704693
Energy: 0.7796299535884383
Energy: 0.7564290122756944
Energy: 0.7380873027171634
Energy: 0.7564290122781352
Energy: 0.8580784716916519
Energy: 0.7762463025442341
Energy: 0.7772895146542511
Energy: 0.7762463025430137

minimum gb energy = 0.6875015449531953 eV
minimum distance =  2.2054178151886 Angstroms
sigma value = 7


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

Energy: 1.1668982020304788
Energy: 0.7186075061302911
Energy: 0.8071086744466964
Energy: 0.8068613707639012
Energy: 0.7701696872706345
Energy: 0.7542266843677119
Energy: 0.7821651398723471
Energy: 0.754226684365986
Energy: 0.7091866489640982
Energy: 0.7112185582742921
Energy: 0.7811971707122896
Energy: 0.7112185582742921
Energy: 0.7106438069422013
Energy: 0.7109237984086989
Energy: 0.845491845674725
Energy: 0.7109237984061102
Energy: 0.708278986958048
Energy: 0.7079172458889021
Energy: 0.8347561301093444
Energy: 0.7079172458983944
Energy: 0.7127042200512662
Energy: 0.7080235075123332
Energy: 0.8333356184217213
Energy: 0.7080235075131962
Energy: 0.8509055959679145
Energy: 0.7086233086746497
Energy: 0.7123132670673505
Energy: 0.7086233086824162
Energy: 0.7798286951596709
Energy: 0.7081381926876271
Energy: 0.7084665364442665
Energy: 0.7081381926859013
Energy: 0.8459155103007169
Energy: 0.7116619439523272
Energy: 0.7109814720926717
Energy: 0.7116619439678599
Energy: 0.8498419302752944
Energy: 0.7093609647628242
Energy: 0.708162392580557
Energy: 0.7093609647636872
Energy: 0.7822166269406371
Energy: 0.7745626367994944
Energy: 0.712871410185015
Energy: 0.7745626368003574
Energy: 0.7794416424476599
Energy: 0.7746625059057395
Energy: 0.8510190035122808
Energy: 0.7746625059014248
Energy: 0.7752139317908339
Energy: 0.753368661976436
Energy: 0.7773724742185164
Energy: 0.753368661977299
Energy: 0.778417407992844
Energy: 0.751687430463892
Energy: 0.717372242994383
Energy: 0.751687430463892
Energy: 0.7766418801192247
Energy: 0.7522757867446382
Energy: 0.715832982637911
Energy: 0.7522757867429124
Energy: 0.8606598588804673
Energy: 0.775092069342706
Energy: 0.7760313151673293
Energy: 0.7750920693401173
Energy: 0.7190570902214013
Energy: 0.7741752718158335
Energy: 0.7832162984786987
Energy: 0.7741752718141076
Energy: 0.7082395964502473
Energy: 0.7142445616989161
Energy: 0.7856255901671152
Energy: 0.7142445616946016
Energy: 0.7116891488985664
Energy: 0.7119770242236886
Energy: 0.781458742571134
Energy: 0.7119770242236886
Energy: 0.7076805436463095
Energy: 0.7077695129509217
Energy: 0.7211053767872873
Energy: 0.7077695129517846
Energy: 0.7128636964108751
Energy: 0.708856338502945
Energy: 0.8372419821886465
Energy: 0.7088563385046709
Energy: 0.784907410031546
Energy: 0.7081485240900894
Energy: 0.7128521558563435
Energy: 0.7081485240944042
Energy: 0.7832888707543972
Energy: 0.7081897400623534
Energy: 0.7087480262276895
Energy: 0.7081897400666679
Energy: 0.8455930831849754
Energy: 0.7108406642956072
Energy: 0.7103363980000422
Energy: 0.710840664298196
Energy: 0.8396619955569955
Energy: 0.7112778155551921
Energy: 0.7099085853672931
Energy: 0.7112778155612327
Energy: 0.831725787852745
Energy: 0.8052511063806254
Energy: 0.7104645773614868
Energy: 0.8052511063763106
Energy: 0.8073088892945081
Energy: 0.780545935249055
Energy: 1.0093204767379982
Energy: 0.7805459352516438
Energy: 0.7732154367130611
Energy: 0.7771807406552103
Energy: 0.7810177770232157
Energy: 0.7771807406569362
Energy: 0.779620665048629
Energy: 0.7521007057805825
Energy: 0.776250584832645
Energy: 0.7521007057857603
Energy: 0.7743459930666003
Energy: 0.7536943346182
Energy: 0.717177780505149
Energy: 0.7536943346130225
Energy: 0.7172755189853863
Energy: 0.7740683236852746
Energy: 0.7733669518609207
Energy: 0.7740683236878634

minimum gb energy = 0.7076805436463095 eV
minimum distance =  2.20536173852389 Angstroms
sigma value = 29


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

Energy: 0.6724847602986422
Energy: 0.6737427046129133
Energy: 0.7515034043416315
Energy: 0.7920267136387091
Energy: 0.6877607097406315
Energy: 0.7272138964415126
Energy: 0.6844567622853686
Energy: 0.7272138964421139
Energy: 0.6823355775666282
Energy: 0.7186211123169515
Energy: 0.6726251952355492
Energy: 0.7186211123172186
Energy: 0.6753702292016056
Energy: 0.6805834385383832
Energy: 0.6822782593306941
Energy: 0.680583438541623
Energy: 0.6791252303256999
Energy: 0.680723155579134
Energy: 0.672921995328404
Energy: 0.6807231555773972
Energy: 0.6808293623191243
Energy: 0.7235154566035213
Energy: 0.6738891232408072
Energy: 0.7235154566029203
Energy: 0.6714054834291221
Energy: 0.7175889698273348
Energy: 0.6817993357395452
Energy: 0.7175889698373207
Energy: 0.6844550115154889
Energy: 0.6861691704040564
Energy: 0.6776501541540644
Energy: 0.6861691704037558
Energy: 0.6873928080797429
Energy: 0.68213678394239
Energy: 0.683771202047857
Energy: 0.6821367839426905

minimum gb energy = 0.6714054834291221 eV
minimum distance =  2.2204818268629 Angstroms
sigma value = 5


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

Energy: 0.9226094806125089
Energy: 0.6436834825146267
Energy: 0.7615529211182009
Energy: 0.6632573791541507
Energy: 0.6755776162442161
Energy: 0.6607260669777383
Energy: 0.762456166502797
Energy: 0.6607260669769232
Energy: 0.7614146900435741
Energy: 0.7095258467980672
Energy: 0.7767430945111958
Energy: 0.7095258467980672
Energy: 0.6748258686888989
Energy: 0.6580771549093645
Energy: 0.7558979414036355
Energy: 0.6580771549061039
Energy: 0.7559594747609049
Energy: 0.6590466225936675
Energy: 0.7768426754195972
Energy: 0.6590466225952978
Energy: 0.6588985301319119
Energy: 0.6585212067850997
Energy: 0.7758525756074627
Energy: 0.6585212067842845
Energy: 0.6580226124798417
Energy: 0.657929282641513
Energy: 0.7571912650066769
Energy: 0.6579292826423281
Energy: 0.6649556048522393
Energy: 0.6606271726221212
Energy: 0.8461231353861965
Energy: 0.6606271726229364
Energy: 0.6797478658329038
Energy: 0.6765592612492403
Energy: 0.839050754109636
Energy: 0.6765592612508706
Energy: 0.7971273438833322
Energy: 0.6436824264731491
Energy: 0.6479536768228924
Energy: 0.6436824264731491
Energy: 0.6785401570973019
Energy: 0.641607115704726
Energy: 0.6438863822655954
Energy: 0.6416071157030956
Energy: 0.8745468053413177
Energy: 0.6406939155575082
Energy: 0.6406629648627334
Energy: 0.6406939155566931
Energy: 0.8745609113117786
Energy: 0.6412852338591952
Energy: 0.6415240590187282
Energy: 0.6412852338591952
Energy: 0.6766997072882187
Energy: 0.672657943206516
Energy: 0.7794530999680548
Energy: 0.6726579432057009
Energy: 0.659486239765998
Energy: 0.6582447921249402
Energy: 0.7744720370754731
Energy: 0.6582447921257554
Energy: 0.6626471485180868
Energy: 0.6594062017802204
Energy: 0.7563443175140757
Energy: 0.6594062017802204
Energy: 0.660399748522168
Energy: 0.659476110848193
Energy: 0.6747529400727282
Energy: 0.6594761108506384
Energy: 0.767938273995256
Energy: 0.661994983699848
Energy: 0.6754934473584201
Energy: 0.6619949837006631
Energy: 0.7645433141167549
Energy: 0.7103302245863313
Energy: 0.761967998335212
Energy: 0.7103302245863313
Energy: 0.7568055342539607
Energy: 0.6591378934570721
Energy: 0.6738837556006347
Energy: 0.6591378934587022
Energy: 0.7755237838485282
Energy: 0.6611162243748092
Energy: 0.7567547995315893
Energy: 0.6611162243756243
Energy: 0.7783758107417461
Energy: 0.6586842407209338
Energy: 0.6585558562833417
Energy: 0.6586842407193034
Energy: 0.7565480326549208
Energy: 0.6579380243556264
Energy: 0.6585361924736312
Energy: 0.6579380243539962
Energy: 0.8456697534651202
Energy: 0.659583716619222
Energy: 0.6633818922406411
Energy: 0.6595837166118858
Energy: 0.8403767080465655
Energy: 0.673636273459932
Energy: 0.6780381747550817
Energy: 0.6736362734607472
Energy: 0.6443440436722622
Energy: 0.6430532659277874
Energy: 0.7972498604834111
Energy: 0.6430532659261573
Energy: 0.6465404474951119
Energy: 0.6435401722516786
Energy: 0.6799246376091745
Energy: 0.6435401722516786
Energy: 0.6422445660446576
Energy: 0.6426715213663687
Energy: 0.6962132654127273
Energy: 0.6426715213655536
Energy: 0.6413833511175867
Energy: 0.642017066868541
Energy: 0.842758364281736
Energy: 0.642017066868541
Energy: 0.7781701530271099
Energy: 0.6723749317012546
Energy: 0.6773781187852717
Energy: 0.6723749316996244
Energy: 0.7744954689546134
Energy: 0.6588844392985931
Energy: 0.6611188619141354
Energy: 0.6588844392969627
Energy: 0.7556568862762194
Energy: 0.6584535247436173
Energy: 0.6608526616722992
Energy: 0.6584535247428022
Energy: 0.6756369360322992
Energy: 0.6588343158446092
Energy: 0.6593850312912372
Energy: 0.6588343158446092

minimum gb energy = 0.6406629648627334 eV
minimum distance =  2.19420911223602 Angstroms
sigma value = 1


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

Energy: 0.9845229224907137
Energy: 0.6018643370514597
Energy: 0.7328106676982182
Energy: 0.6239127599939314
Energy: 0.6427497588898112
Energy: 0.6239389448007183
Energy: 0.7642898133426234
Energy: 0.6239389447984898
Energy: 0.7652866458521872
Energy: 0.688467894511174
Energy: 0.7662542799223168
Energy: 0.688467894510047
Energy: 0.6403816160228988
Energy: 0.6892258535434327
Energy: 0.7579564588200637
Energy: 0.6892258535400515
Energy: 0.6234769313522929
Energy: 0.6215793214014719
Energy: 0.7628358762806401
Energy: 0.6215793213992176
Energy: 0.621854657133603
Energy: 0.6223171042913043
Energy: 0.7627184890511455
Energy: 0.6223171042913043
Energy: 0.6204321139011867
Energy: 0.6218884311748581
Energy: 0.7588954355928089
Energy: 0.6218884311748581
Energy: 0.6299988955660175
Energy: 0.6251735710619065
Energy: 0.8717737677137621
Energy: 0.6251735710641607
Energy: 0.7605343763718845
Energy: 0.6509788742750985
Energy: 0.8769536692309489
Energy: 0.6509788742728443
Energy: 0.7678468215671388
Energy: 0.6261723136141188
Energy: 0.6371791180674812
Energy: 0.6261723136163729
Energy: 0.7595599587763453
Energy: 0.6214324713030122
Energy: 0.6208140581209489
Energy: 0.6214324713018852
Energy: 0.8697531734008204
Energy: 0.6298423462700178
Energy: 0.621982799438932
Energy: 0.6298423462688906
Energy: 0.869210838329488
Energy: 0.6218849592070437
Energy: 0.6227426007117645
Energy: 0.6218849592059166
Energy: 0.7580978872592766
Energy: 0.6891145614094337
Energy: 0.7652910369417589
Energy: 0.6891145614128148
Energy: 0.6430200266769727
Energy: 0.6874916851570504
Energy: 0.7653310167987177
Energy: 0.6874916851570504
Energy: 0.6445473875149188
Energy: 0.6226926053848738
Energy: 0.7589793863131548
Energy: 0.622692605387128
Energy: 0.6221361266412373
Energy: 0.6226406781540672
Energy: 0.763757687989696
Energy: 0.6226406781551942
Energy: 0.6318066359396128
Energy: 0.6251751114446659
Energy: 0.7576879627364916
Energy: 0.6251751114446659
Energy: 0.6206348532150475
Energy: 0.621741460249669
Energy: 0.8757290290709232
Energy: 0.6217414602485418
Energy: 0.6228837476853596
Energy: 0.6261717474991398
Energy: 0.8714470570742192
Energy: 0.626171747500267
Energy: 0.7626640010837269
Energy: 0.6468295755876523
Energy: 0.7581393160669573
Energy: 0.6468295755876523
Energy: 0.7633288951821297
Energy: 0.6230208023471453
Energy: 0.6249829956717591
Energy: 0.6230208023460182
Energy: 0.7593219317721789
Energy: 0.6214879957490245
Energy: 0.6216389910972399
Energy: 0.6214879957512786
Energy: 0.8695047516458527
Energy: 0.6220374352586
Energy: 0.6222672632527733
Energy: 0.6220374352540917

minimum gb energy = 0.6018643370514597 eV
minimum distance =  2.20861316766144 Angstroms
sigma value = 17


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

Energy: 1.0553854713846094
Energy: 0.6051374906692576
Energy: 0.7369304224927576
Energy: 0.6204639899981826
Energy: 0.6551327667910259
Energy: 0.6192201630738834
Energy: 0.7091207526454365
Energy: 0.6192201630731867
Energy: 0.7802787946276477
Energy: 0.6211542087613695
Energy: 0.7237507715106227
Energy: 0.6211542087641561
Energy: 0.8181566549596149
Energy: 0.6472977127253325
Energy: 0.7036606308326955
Energy: 0.6472977127239393
Energy: 0.6916157563692567
Energy: 0.6042943640649227
Energy: 0.8190506752642505
Energy: 0.6042943640635292
Energy: 0.6043988380610563
Energy: 0.6035983091515174
Energy: 0.8027226169191531
Energy: 0.6035983091529107
Energy: 0.6040526800024003
Energy: 0.6034423337847814
Energy: 0.6296552247962284
Energy: 0.6034423337840849
Energy: 0.6100593675414918
Energy: 0.6054701196070876
Energy: 0.8031941377548251
Energy: 0.6054701196063911
Energy: 0.7959013559529307
Energy: 0.6060549123840175
Energy: 0.7789532776105043
Energy: 0.6060549123840175
Energy: 0.7291537754854739
Energy: 0.6497532832612493
Energy: 0.7133365217188345
Energy: 0.6497532832612493
Energy: 0.7936455149875329
Energy: 0.6166217835888118
Energy: 0.6263861810525359
Energy: 0.6166217835874186
Energy: 0.7996804731589273
Energy: 0.6208976497519811
Energy: 0.7038993226056854
Energy: 0.6208976497533744
Energy: 0.8062793591887477
Energy: 0.6158076387106682
Energy: 0.6167048835543093
Energy: 0.615807638709275
Energy: 0.7174359494312008
Energy: 0.6158674457362955
Energy: 0.6171124429707338
Energy: 0.615867445735599
Energy: 0.8139954951773392
Energy: 0.6192680742462022
Energy: 0.6225958667343774
Energy: 0.619268074244809
Energy: 0.8203686269774251
Energy: 0.6167778847024153
Energy: 0.620096712075258
Energy: 0.6167778847010221
Energy: 0.6170827745368301
Energy: 0.7031768508530254
Energy: 0.825313102604246
Energy: 0.7031768508523288
Energy: 0.6161055582367063
Energy: 0.6158597385366182
Energy: 0.7963351185329921
Energy: 0.6158597385345285
Energy: 0.6183304649096287
Energy: 0.6203883376416933
Energy: 0.7765996081465071
Energy: 0.6203883376409969
Energy: 0.617247932098732
Energy: 0.6163719824084773
Energy: 0.8027663469485967
Energy: 0.6163719824091738
Energy: 0.7146776792331018
Energy: 0.6178065434028964
Energy: 0.6170563364982674
Energy: 0.6178065434028964
Energy: 0.7237717292782015
Energy: 0.6197772376018765
Energy: 0.7812010839220078
Energy: 0.6197772376018765
Energy: 0.7038410864812851
Energy: 0.6460591707283359
Energy: 0.8146855209836084
Energy: 0.6460591707297292
Energy: 0.8213369092850088
Energy: 0.6053512561130138
Energy: 0.6915268959660242
Energy: 0.6053512561123171
Energy: 0.8000682739082774
Energy: 0.6039158609318522
Energy: 0.6036257517242102
Energy: 0.6039158609318522
Energy: 0.704135852396128
Energy: 0.6042413734932576
Energy: 0.6069239626139109
Energy: 0.6042413734939543
Energy: 0.8036209339747264
Energy: 0.6059355292908836
Energy: 0.605089848729276
Energy: 0.605935529290187
Energy: 0.7049153754144827
Energy: 0.6055156208624973
Energy: 0.7977583318757565
Energy: 0.605515620861104
Energy: 0.7135736287138303
Energy: 0.649974880860691
Energy: 0.7236803621015553
Energy: 0.6499748808599943
Energy: 0.6272290525287806
Energy: 0.6157847896956257
Energy: 0.7925515604661587
Energy: 0.6157847897471761
Energy: 0.7027301841901838
Energy: 0.6160300342292951
Energy: 0.8022651506574225
Energy: 0.6160300342285984
Energy: 0.6160714809192005
Energy: 0.6156671362525559
Energy: 0.8037939760439891
Energy: 0.6156671362525559
Energy: 0.6157673233929282
Energy: 0.6155857984055408
Energy: 0.7181331052912373
Energy: 0.6155857984069342
Energy: 0.6241583714523586
Energy: 0.6193241571442498
Energy: 0.8167512032140147
Energy: 0.6193241571435533
Energy: 0.7215794728901717
Energy: 0.6323504101292796
Energy: 0.8159721772459232
Energy: 0.6323504101271898
Energy: 0.7164137668056676
Energy: 0.6208252217815566
Energy: 0.6175792877665349
Energy: 0.6208252217822532
Energy: 0.7934589102561602
Energy: 0.6164734664728373
Energy: 0.6166031664999639
Energy: 0.6164734664707474
Energy: 0.7792032647476267
Energy: 0.6200984315291406
Energy: 0.6172723494956258
Energy: 0.6200984315277474

minimum gb energy = 0.6034423337840849 eV
minimum distance =  2.20467738470107 Angstroms
sigma value = 89


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

Energy: 1.1171736355486264
Energy: 0.574573368481704
Energy: 0.5604232394564052
Energy: 0.5607213206891826
Energy: 0.5591306177580123
Energy: 0.6090144674521182
Energy: 0.5588898577407954
Energy: 0.6090144674503368
Energy: 0.5538947848486642
Energy: 0.6099481472042839
Energy: 0.5707316087588301
Energy: 0.6099481472042839
Energy: 0.554902858398474
Energy: 0.6111952644617182
Energy: 0.5582121767059677
Energy: 0.6111952644617182
Energy: 0.5573017027871089
Energy: 0.5576435246434358
Energy: 0.5673532035369014
Energy: 0.5576435246434358
Energy: 0.5585760024781974
Energy: 0.5568130110817314
Energy: 0.566124812082964
Energy: 0.5568130110817314
Energy: 0.5575626844261802
Energy: 0.5561838598765213
Energy: 0.5589273620850793
Energy: 0.5561838598765213
Energy: 0.5598642254448176
Energy: 0.560145147020746
Energy: 0.5534766584354134
Energy: 0.5601451470225688
Energy: 0.5609690064383971
Energy: 0.5569586722868832
Energy: 0.5623687263548744
Energy: 0.5569586722868832
Energy: 0.5737777740643786
Energy: 0.6131741196110603
Energy: 0.5610947986705347
Energy: 0.6131741196110603
Energy: 0.5592917928515765
Energy: 0.6042773027955118
Energy: 0.5529319685655946
Energy: 0.6042773027955118
Energy: 0.5658555116383523
Energy: 0.5568967239047756
Energy: 0.5593683571779471
Energy: 0.5568967239047756
Energy: 0.5682932425333524
Energy: 0.5583698440251365
Energy: 0.5575497454906172
Energy: 0.5583698440251365
Energy: 0.5584847470789489
Energy: 0.5559024226406339
Energy: 0.5563073331718003
Energy: 0.5559024226388112
Energy: 0.5538580058546779
Energy: 0.5578006274022843
Energy: 0.5602210541784923
Energy: 0.5578006274022843

minimum gb energy = 0.5529319685655946 eV
minimum distance =  2.22114530874014 Angstroms
sigma value = 13


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

Energy: 0.9847100676266365
Energy: 0.5253622030809708
Energy: 0.6766952556017994
Energy: 0.5345219468218884
Energy: 0.5304871761598207
Energy: 0.5294791242095819
Energy: 0.6317383550353317
Energy: 0.5294791242172215
Energy: 0.5302462878332405
Energy: 0.5271368607205643
Energy: 0.6369886837811988
Energy: 0.5271368607266761
Energy: 0.7450574552993785
Energy: 0.5308947527094224
Energy: 0.6253251170970181
Energy: 0.5308947527162982
Energy: 0.6287170233372659
Energy: 0.529390845939136
Energy: 0.7388076498274945
Energy: 0.529390845939136
Energy: 0.6272809454207121
Energy: 0.5282050217459169
Energy: 0.6228572921242811
Energy: 0.5282050217482088
Energy: 0.6255568213265357
Energy: 0.5273376411140396
Energy: 0.6229296359668448
Energy: 0.5273376411125116
Energy: 0.6276311992230524
Energy: 0.527087545518708
Energy: 0.6301784259990878
Energy: 0.527087545514888
Energy: 0.5266112078212221
Energy: 0.5294160373336143
Energy: 0.6274344597495729
Energy: 0.5294160373351422
Energy: 0.5267800766333158
Energy: 0.5273652151847837
Energy: 0.626075199313879
Energy: 0.527365215177144
Energy: 0.5288294166349994
Energy: 0.5273251224396045
Energy: 0.98530717291289
Energy: 0.5273251224655796
Energy: 0.6227460700608233
Energy: 0.5264512692031762
Energy: 0.6265131940571346
Energy: 0.5264512692001202
Energy: 0.6240872470880156
Energy: 0.5553729682351639
Energy: 0.6223722524681734
Energy: 0.555372968232108
Energy: 0.7335580194995222
Energy: 0.5569135094225196
Energy: 0.7427210688557622
Energy: 0.5569135094179357
Energy: 0.6324181011401145
Energy: 0.5312085649512157
Energy: 0.6251008391890529
Energy: 0.5312085649504517
Energy: 0.6306447210509268
Energy: 0.5288983445802458
Energy: 0.5307602996956782
Energy: 0.5288983445817738
Energy: 0.7322268425978338
Energy: 0.5273604769938948
Energy: 0.5291322693719267
Energy: 0.5273604769977146
Energy: 0.5479080279924722
Energy: 0.5273927611133254
Energy: 0.5290328376977552
Energy: 0.5273927611110336
Energy: 0.7249712043303577
Energy: 0.5318739301383805
Energy: 0.6223697382345447
Energy: 0.5318739301368525
Energy: 0.6256257260428302
Energy: 0.526556699860057
Energy: 0.6375260781206419
Energy: 0.5265566998638769
Energy: 0.7493575548303523
Energy: 0.5276121393546683
Energy: 0.6230449174213643
Energy: 0.5276121393546683
Energy: 0.6257202842613268
Energy: 0.563593360150327
Energy: 0.6226745557065192
Energy: 0.5635933601449791
Energy: 0.6317530195495535
Energy: 0.5307322654827743
Energy: 0.6238839155730568
Energy: 0.5307322654827743
Energy: 0.5306158128688936
Energy: 0.5264735407567374
Energy: 0.7318727656213984
Energy: 0.5264735407529174
Energy: 0.6241529741239368
Energy: 0.5279178933845633
Energy: 0.6316074485033477
Energy: 0.5279178933868552
Energy: 0.5279789449208878
Energy: 0.5264202085460653
Energy: 0.6295470171431873
Energy: 0.5264202085468292
Energy: 0.5268539537753025
Energy: 0.526380537749144
Energy: 0.7337343199954265
Energy: 0.526380537750672
Energy: 0.527074105729098
Energy: 0.5297209144108114
Energy: 0.531921154801656
Energy: 0.5297209144054634
Energy: 0.6221481592122489
Energy: 0.5272534929901705
Energy: 0.7241302257832094
Energy: 0.5272534929894065
Energy: 0.638629188442271
Energy: 0.5571846725924576
Energy: 0.7313081369099425
Energy: 0.5571846725924576
Energy: 0.731532372826469
Energy: 0.554721351364047
Energy: 0.7496270496843033
Energy: 0.5547213513701588
Energy: 0.6296982494773424
Energy: 0.5285092526719236
Energy: 0.7297817839750927
Energy: 0.5285092526734515
Energy: 0.6325528713261812
Energy: 0.529613389496849
Energy: 0.5388630001236346
Energy: 0.5296133894876814
Energy: 0.7334032667780137
Energy: 0.5263386694052377
Energy: 0.5267014696324707
Energy: 0.5263386694082935
Energy: 0.7126023306521886
Energy: 0.527919197165919
Energy: 0.5305484356236012
Energy: 0.5279191971651549

minimum gb energy = 0.5253622030809708 eV
minimum distance =  2.22002362222305 Angstroms
sigma value = 37


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

Energy: 0.8542653240871838
Energy: 0.4763795098577238
Energy: 0.632316930187583
Energy: 0.47733027197339434
Energy: 0.7986037116280191
Energy: 0.4754855101151953
Energy: 0.6397907188072744
Energy: 0.4754855101151953
Energy: 0.7999396892695035
Energy: 0.4770735631560789
Energy: 0.6420953816176981
Energy: 0.4770735631573933
Energy: 0.7986103528352178
Energy: 0.5273215601608032
Energy: 0.6424788709222876
Energy: 0.5273215601594888
Energy: 0.8033777595839531
Energy: 0.5321636589841893
Energy: 0.6404823121221438
Energy: 0.5321636589841893
Energy: 0.6432308648822525
Energy: 0.47596779346568324
Energy: 0.6518425191705535
Energy: 0.47596779346568324
Energy: 0.47603168839023435
Energy: 0.4747075151789244
Energy: 0.8035408603665678
Energy: 0.47470751518023885
Energy: 0.48134513631951487
Energy: 0.4756427169950244
Energy: 0.8005792614329265
Energy: 0.4756427169950244
Energy: 0.47594761319738516
Energy: 0.4774988951079528
Energy: 0.8009184214937408
Energy: 0.4774988951079528
Energy: 0.47506343608328333
Energy: 0.47549349552551873
Energy: 0.805836592304825
Energy: 0.47549349552551873
Energy: 0.632316930187583
Energy: 0.4773302727275251
Energy: 0.8542653240871838
Energy: 0.47637950985903815
Energy: 0.6397907188059601
Energy: 0.47548551011650964
Energy: 0.7986037116293335
Energy: 0.4754855101151953
Energy: 0.6420953816176981
Energy: 0.4770735631560789
Energy: 0.7999396892708178
Energy: 0.4770735631560789
Energy: 0.642478870923602
Energy: 0.5273215601608032
Energy: 0.7986103528365323
Energy: 0.5273215601594888
Energy: 0.6404823121195149
Energy: 0.5321636589828749
Energy: 0.8033777595865819
Energy: 0.5321636589828749
Energy: 0.6518425191771255
Energy: 0.47596779346568324
Energy: 0.6432308648835668
Energy: 0.47596779346568324
Energy: 0.803540860363939
Energy: 0.4747075151789244
Energy: 0.47603168839154886
Energy: 0.4747075151789244
Energy: 0.8005792614316121
Energy: 0.4756427169937101
Energy: 0.48134513631820036
Energy: 0.4756427169937101
Energy: 0.8009184214950553
Energy: 0.47749889510926724
Energy: 0.47594761319738516
Energy: 0.47749889510926724
Energy: 0.8058365923061392
Energy: 0.4754934955268331
Energy: 0.4750634360819688
Energy: 0.4754934955268331

minimum gb energy = 0.4747075151789244 eV
minimum distance =  2.22270953727284 Angstroms
sigma value = 25


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

Energy: 1.110389549647407
Energy: 0.43046455298300174
Energy: 0.6006742552634707
Energy: 0.4310028613686849
Energy: 0.8570134306474849
Energy: 0.42870768897415945
Energy: 0.5663245590341854
Energy: 0.42870768897518574
Energy: 0.9156911844374195
Energy: 0.4274112059725363
Energy: 0.5644780858502393
Energy: 0.42741120597356264
Energy: 0.7536632631572252
Energy: 0.4330475975327796
Energy: 0.6699162815277422
Energy: 0.4330475975327796
Energy: 0.812259566599529
Energy: 0.4725353515368135
Energy: 0.810606483398988
Energy: 0.47253535154091897
Energy: 0.7479561851368584
Energy: 0.47011297492669135
Energy: 0.8065008770845649
Energy: 0.47011297492571164
Energy: 0.7510157197566222
Energy: 0.42617736146783247
Energy: 0.8019090310878446
Energy: 0.42617736146475343
Energy: 0.5584569094695792
Energy: 0.42159290365195523
Energy: 0.8538668448906023
Energy: 0.421592903654008
Energy: 0.5621918948181451
Energy: 0.4255176628374739
Energy: 0.8042800288383943
Energy: 0.4255176628415794
Energy: 0.5543349497432685
Energy: 0.4259568573526294
Energy: 0.9072868630747417
Energy: 0.42595685735160305
Energy: 0.4915520742592628
Energy: 0.4259423776234496
Energy: 0.9456824529117333
Energy: 0.4259423776234496
Energy: 0.4943779204222999
Energy: 0.4262648577616896
Energy: 0.9074467645628962
Energy: 0.426264857762716
Energy: 0.4934894510872787
Energy: 0.42315794899725545
Energy: 0.9070058707994422
Energy: 0.42315794899622905
Energy: 0.4994126158446337
Energy: 0.4246317725371702
Energy: 0.9057235699621795
Energy: 0.42463177253819656
Energy: 0.6277038064890117
Energy: 0.4207775861396495
Energy: 0.9125187094771966
Energy: 0.42077758613759675
Energy: 0.6254384932459968
Energy: 0.4217607158999399
Energy: 0.9181733730715422
Energy: 0.42176071589686076
Energy: 0.6922681691117087
Energy: 0.42266218741699546
Energy: 0.8592936427818455
Energy: 0.4226621874221273
Energy: 0.6360947562027074
Energy: 0.4707244782690332
Energy: 0.6963953597213219
Energy: 0.47072447826800684
Energy: 0.7938354253612229
Energy: 0.468537283853699
Energy: 0.7499654786988601
Energy: 0.46853728385267257
Energy: 0.9195567681467163
Energy: 0.470804522449367
Energy: 0.7484174703948046
Energy: 0.470804522449367
Energy: 0.9464950308126193
Energy: 0.46715692719456686
Energy: 0.5658306773300961
Energy: 0.4671569271996987
Energy: 0.9193380240916411
Energy: 0.4267922672338792
Energy: 0.4948037481692143
Energy: 0.4267922672379847
Energy: 0.8602357765220346
Energy: 0.429653530221
Energy: 0.5602369220711286
Energy: 0.4296535302189473
Energy: 0.8537901529571101
Energy: 0.42865150679863734
Energy: 0.4323459769534472
Energy: 0.42865150679966374
Energy: 0.9172311204279362
Energy: 0.4275734090811763
Energy: 0.4284178835681847
Energy: 0.42757340907912356
Energy: 0.8571790268249281
Energy: 0.428272002817158
Energy: 0.4316007474046808
Energy: 0.42827200281818434

minimum gb energy = 0.42077758613759675 eV
minimum distance =  2.21834462256068 Angstroms
sigma value = 41


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

Energy: 1.134499956197102
Energy: 0.3890993735731095
Energy: 0.5684845504896041
Energy: 0.3892700847985942
Energy: 0.987205715529578
Energy: 0.3848568714548607
Energy: 0.49564902264582694
Energy: 0.3848568714540193
Energy: 0.9825784649322638
Energy: 0.3837245943392857
Energy: 0.49896674357460874
Energy: 0.38372459434096856
Energy: 0.805651700686308
Energy: 0.38581933825698117
Energy: 0.6168361463396327
Energy: 0.38581933825698117
Energy: 0.8963892214844349
Energy: 0.38210675826729484
Energy: 0.7070413538236382
Energy: 0.382106758263929
Energy: 0.7986502775061938
Energy: 0.5273102429900408
Energy: 0.7038998614767621
Energy: 0.5273102429900408
Energy: 0.8026137120746866
Energy: 0.41967640097278325
Energy: 0.8029426608003158
Energy: 0.41967640097278325
Energy: 0.7097772394702418
Energy: 0.423070912716759
Energy: 0.7089043810222709
Energy: 0.423070912716759
Energy: 0.6092002060420013
Energy: 0.3838115972905189
Energy: 0.8901135522983045
Energy: 0.38381159728967745
Energy: 0.6085860971634325
Energy: 0.38248411752342343
Energy: 0.8962185294615223
Energy: 0.3824841175293136
Energy: 0.5033789243447117
Energy: 0.3876123318259654
Energy: 0.9013566423868868
Energy: 0.3876123318251239
Energy: 0.4987443264646949
Energy: 0.38311998980280326
Energy: 0.9844091178764511
Energy: 0.38311998980448614
Energy: 0.49675682771219537
Energy: 0.3867833343767039
Energy: 0.9858894128378541
Energy: 0.3867833343767039
Energy: 0.39005658380342756
Energy: 0.38568155082640143
Energy: 0.8971847778704805
Energy: 0.3856815508272429
Energy: 0.3839285795862979
Energy: 0.3840764231884779
Energy: 0.9825873792497112
Energy: 0.3840764231867949
Energy: 0.38740449733230925
Energy: 0.3859726001979371
Energy: 0.984416545617057
Energy: 0.3859726001979371
Energy: 0.5012369882029197
Energy: 0.38582250224385645
Energy: 0.9881990010260042
Energy: 0.38582250224301506
Energy: 0.4985003917059057
Energy: 0.3824292822667539
Energy: 0.9813746060059325
Energy: 0.3824292822667539
Energy: 0.4970645818445693
Energy: 0.3855733926560266
Energy: 0.8010696508282472
Energy: 0.385573392656868
Energy: 0.7042201493109547
Energy: 0.3839014357801067
Energy: 0.799946509723199
Energy: 0.3839014357834726
Energy: 0.7135992098413472
Energy: 0.3829726209697466
Energy: 0.8905391448797731
Energy: 0.38297262097142953
Energy: 0.7050257719416538
Energy: 0.4188793259723977
Energy: 0.8033556902793847
Energy: 0.4188793259690318
Energy: 0.8900939574585626
Energy: 0.41742329353114394
Energy: 0.7970064060593308
Energy: 0.4174232935303024
Energy: 0.708119778568926
Energy: 0.4198714689080049
Energy: 0.705807598831363
Energy: 0.41987146890632193
Energy: 0.889577980493438
Energy: 0.3827769734511125
Energy: 0.6146407195194873
Energy: 0.38277697345363687
Energy: 0.8923245327821738
Energy: 0.3838141682543959
Energy: 0.7048186555358849
Energy: 0.3838141682543959
Energy: 0.8946830807235971
Energy: 0.3863161047171058
Energy: 0.4971992158211039
Energy: 0.3863161047162644
Energy: 0.9808651300393872
Energy: 0.3831100939524483
Energy: 0.49852598517935975
Energy: 0.3831100939516069
Energy: 0.8938288723982175
Energy: 0.38609465891416966
Energy: 0.49993920620857346
Energy: 0.38609465891416966
Energy: 0.8921541131543413
Energy: 0.3849364671822924
Energy: 0.3844279874346214
Energy: 0.384936467181451
Energy: 0.9820742980054604
Energy: 0.38388760258945326
Energy: 0.3837530001651292
Energy: 0.38388760258945326
Energy: 0.9891646696534264
Energy: 0.38519000337970305
Energy: 0.3900861966920473
Energy: 0.38519000338054443

minimum gb energy = 0.382106758263929 eV
minimum distance =  2.2291759967988 Angstroms
sigma value = 15


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

Energy: 0.9781310004014004
Energy: 0.35978908293894657
Energy: 0.5465222080453643
Energy: 0.3567989567828641
Energy: 1.035588490509918
Energy: 0.3552802056111258
Energy: 0.45047928250697067
Energy: 0.3552802056111258
Energy: 1.0333060892156243
Energy: 0.3546655130227648
Energy: 0.4535626214524258
Energy: 0.3546655130241904
Energy: 0.8824754634606863
Energy: 0.35719313623675697
Energy: 0.6363167577600704
Energy: 0.35719313623675697
Energy: 0.8768689671590085
Energy: 0.35601372997147923
Energy: 0.631920082055272
Energy: 0.35601372997504344
Energy: 0.8759755062254735
Energy: 0.3534093279438932
Energy: 0.629518814290417
Energy: 0.3534093279389033
Energy: 0.7150970203197003
Energy: 0.35980023639149106
Energy: 0.7941973308577454
Energy: 0.3598002363358905
Energy: 0.7968488587384267
Energy: 0.38609682994887906
Energy: 0.6330996436289015
Energy: 0.3860968298961298
Energy: 0.7130352803870619
Energy: 0.38319396942715706
Energy: 0.7921660739761411
Energy: 0.38319396942929546
Energy: 0.7120153324162835
Energy: 0.38433813161720626
Energy: 0.9544747996286914
Energy: 0.38433813160081126
Energy: 0.6365808342369804
Energy: 0.3640823915040488
Energy: 0.8018379804521908
Energy: 0.36408239150618726
Energy: 0.5467565605693951
Energy: 0.3527720256830082
Energy: 0.9514550761564703
Energy: 0.3527720256837211
Energy: 0.6303204558526847
Energy: 0.3534427619508818
Energy: 0.9536397586905443
Energy: 0.35344276195230745
Energy: 0.45727858052443426
Energy: 0.35686417662315656
Energy: 0.7988529887200104
Energy: 0.35686417662315656
Energy: 0.45281874780802295
Energy: 0.35324046846267604
Energy: 1.0308511773912163
Energy: 0.3532404684648145
Energy: 0.4550717243278502
Energy: 0.35696183626151934
Energy: 0.9558926916761104
Energy: 0.356961836262945
Energy: 0.359882609129198
Energy: 0.358120257121729
Energy: 0.9596676491107666
Energy: 0.358120257121729
Energy: 0.3541109281540033
Energy: 0.35364081584964935
Energy: 1.0303983641794516
Energy: 0.353640815851075
Energy: 0.3573751080225343
Energy: 0.35985893092796056
Energy: 0.8785070050016476
Energy: 0.35985893092867344
Energy: 0.4557151899168843
Energy: 0.35767475424564765
Energy: 1.036766238939392
Energy: 0.35767475424493483
Energy: 0.45011094106863414
Energy: 0.3534962508090718
Energy: 1.0305720793564048
Energy: 0.35349625080764613
Energy: 0.45637976313020484
Energy: 0.3568992238372382
Energy: 0.8807522051476556
Energy: 0.3568992238358126
Energy: 0.6298683415096786
Energy: 0.35394486161877203
Energy: 0.8738416060664819
Energy: 0.3539448616173464
Energy: 0.6332814379721873
Energy: 0.35319238332163316
Energy: 0.9526011959651491
Energy: 0.35319238332092034
Energy: 0.6361488884028159
Energy: 0.3637111944501266
Energy: 0.7180230527700062
Energy: 0.3637111944558292
Energy: 0.7940338970105322
Energy: 0.38469376398667343
Energy: 0.8796456667306235
Energy: 0.3846937639560219
Energy: 0.6308481585138883
Energy: 0.3832587174889128
Energy: 0.7934162221127538
Energy: 0.38325871748321017
Energy: 0.7977871412413187
Energy: 0.3862399842793848
Energy: 0.7178353840122016
Energy: 0.38623998427867196
Energy: 0.7967266707157542
Energy: 0.3586738625840205
Energy: 0.7944108272454026
Energy: 0.35867386258116923
Energy: 0.7942777073069618
Energy: 0.35960240612573113
Energy: 0.6308951993848426
Energy: 0.35960240590695786
Energy: 0.9558120713797152
Energy: 0.3529886867287077
Energy: 0.5465956804333079
Energy: 0.35298868672656913
Energy: 0.8001032931444647
Energy: 0.35873480022171644
Energy: 0.6353990421239614
Energy: 0.35873480022171644
Energy: 0.954217977576248
Energy: 0.35513419839678423
Energy: 0.4535133450063438
Energy: 0.35513419839820987
Energy: 0.9513913746268642
Energy: 0.3544593131231423
Energy: 0.4526557186671289
Energy: 0.35445931312242956
Energy: 0.963756817261311
Energy: 0.361162011859166
Energy: 0.3668077142429878
Energy: 0.36116201185774033
Energy: 1.0347698696151395
Energy: 0.3564824134345375
Energy: 0.35676514412256294
Energy: 0.3564824134345375
Energy: 1.0314123465213836
Energy: 0.35757651034098753
Energy: 0.3560008556848527
Energy: 0.3575765103424132

minimum gb energy = 0.3527720256830082 eV
minimum distance =  2.21980155004421 Angstroms
sigma value = 85


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

Energy: 1.097735268814033
Energy: 0.3243850397760114
Energy: 0.3169736131421223
Energy: 0.3168996222170971
Energy: 0.9496304520081857
Energy: 0.3154245796562621
Energy: 0.40212063920675234
Energy: 0.31542457965502557
Energy: 0.951375414726767
Energy: 0.31518920978251047
Energy: 0.40297764827524646
Energy: 0.31518920978621995
Energy: 0.8073968369893884
Energy: 0.31776074042630925
Energy: 0.5585482183017353
Energy: 0.317760740428164
Energy: 0.9535246877721804
Energy: 0.3141963317852864
Energy: 0.5593465275262136
Energy: 0.3141963317859046
Energy: 0.8106431733438677
Energy: 0.3146814327216248
Energy: 0.5590350917513479
Energy: 0.3146814327210065
Energy: 0.8141296175698529
Energy: 0.31522673356684494
Energy: 0.7063806331406138
Energy: 0.3152267335686996
Energy: 0.8506382033687682
Energy: 0.31557677869588574
Energy: 0.5967654181692732
Energy: 0.3155767786983587
Energy: 0.8131174360728743
Energy: 0.3148571213390528
Energy: 0.703341957265368
Energy: 0.31485712133781635
Energy: 0.8126010540889156
Energy: 0.5478320823671827
Energy: 0.8449740611603803
Energy: 0.5478320823671827
Energy: 0.7083537513524856
Energy: 0.31475157702245277
Energy: 0.7377198642237716
Energy: 0.31475152631369857
Energy: 0.6691683174685177
Energy: 0.3140598279245019
Energy: 0.8453610067551081
Energy: 0.3140598279653055
Energy: 0.7038159637339493
Energy: 0.31415008475356504
Energy: 0.8814436661305429
Energy: 0.31415008475232864
Energy: 0.5641512899623581
Energy: 0.31582877869436976
Energy: 0.743192489452204
Energy: 0.315828778694988
Energy: 0.5218909692652042
Energy: 0.3140931393103441
Energy: 0.982710371477018
Energy: 0.3140931393041617
Energy: 0.561924404223205
Energy: 0.3157407847272532
Energy: 0.8834535898954544
Energy: 0.3157407847284897
Energy: 0.3975019242163308
Energy: 0.31627420522799
Energy: 0.8862480416737373
Energy: 0.31627420522799
Energy: 0.39781692207472563
Energy: 0.3146106020051126
Energy: 1.0187948175357675
Energy: 0.31461060200449437
Energy: 0.393402838646234
Energy: 0.31491463066038927
Energy: 1.01640972236668
Energy: 0.3149146306640987
Energy: 0.3613572806983217
Energy: 0.31465433772136747
Energy: 1.0163444795360572
Energy: 0.3146543377182763
Energy: 0.35502396278529713
Energy: 0.31278081000649055
Energy: 1.0525013315092493
Energy: 0.3127808100114365
Energy: 0.3568384474869277
Energy: 0.31421797383725175
Energy: 0.9141010640621033
Energy: 0.3142179738353971
Energy: 0.44592425874683106
Energy: 0.31581423581350865
Energy: 1.0550042886825894
Energy: 0.3158142358141268
Energy: 0.44226887763577755
Energy: 0.3140268009446362
Energy: 1.0511428080223706
Energy: 0.314026800944018
Energy: 0.44383563148370114
Energy: 0.3184630418877471
Energy: 0.8074549215253615
Energy: 0.3184630418871289
Energy: 0.552326684242847
Energy: 0.3143004178168356
Energy: 1.0539893941954455
Energy: 0.3143004178223998
Energy: 0.5555157079370706
Energy: 0.31380130183635296
Energy: 0.9500337144430203
Energy: 0.3138013018351164
Energy: 0.6250708144795873
Energy: 0.3145565369219282
Energy: 0.8087282268160697
Energy: 0.3145565369225465
Energy: 0.7063400004621115
Energy: 0.3138745534975599
Energy: 0.9503637985968707
Energy: 0.3138745536057232
Energy: 0.7043761994099599
Energy: 0.31405179699063634
Energy: 0.810308305217993
Energy: 0.31405179699434577
Energy: 0.8475732011386959
Energy: 0.36940919901573127
Energy: 0.6679087582946842
Energy: 0.3694091990144948
Energy: 0.7434147426960439
Energy: 0.36903504608591375
Energy: 0.8171340145079273
Energy: 0.36903504595366726
Energy: 0.8469115907432949
Energy: 0.4164498345200578
Energy: 0.6663911754745049
Energy: 0.41644983451758494
Energy: 0.9207992680698297
Energy: 0.31549834972284513
Energy: 0.6674848259282916
Energy: 0.3154983497284092
Energy: 0.7365089233007931
Energy: 0.3159626622144401
Energy: 0.5587346829819181
Energy: 0.31596266221629477
Energy: 0.985201973066218
Energy: 0.3142618717419925
Energy: 0.558833661655561
Energy: 0.31426187173828307
Energy: 1.0192701461571443
Energy: 0.31483174580865725
Energy: 0.5584506692223815
Energy: 0.314831745805566
Energy: 0.8792734346491635
Energy: 0.3184320695252124
Energy: 0.3999530697647164
Energy: 0.3184320695258306
Energy: 1.054657722304706
Energy: 0.3142245540091075
Energy: 0.3997635006403209
Energy: 0.31422455401096216
Energy: 1.02202785450646
Energy: 0.31581050268297706
Energy: 0.40313406265240326
Energy: 0.3158105026835953
Energy: 0.8784784187071776
Energy: 0.3169809021926166
Energy: 0.31509917475492516
Energy: 0.31698090219508956
Energy: 1.0526908351426272
Energy: 0.31451299669244187
Energy: 0.3146347185679607
Energy: 0.31451299669244187
Energy: 0.9548769853476836
Energy: 0.31777556032044163
Energy: 0.31498774041399863
Energy: 0.317775560316114

minimum gb energy = 0.31278081000649055 eV
minimum distance =  2.22330340697061 Angstroms
sigma value = 113


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

Energy: 0.015330073134158937
Energy: 0.015894889069863073
Energy: 0.8138557172493378
Energy: 0.2834974414930209
Energy: 0.01601679692092398
Energy: 0.07307125874982628
Energy: 0.5995214403187324
Energy: 0.07307125875030156
Energy: 0.015857546717865843
Energy: 0.07243262191600354
Energy: 0.598348355119323
Energy: 0.07243262191600354
Energy: 0.016717912844660687
Energy: 0.07441139336439083
Energy: 0.6009551339186673
Energy: 0.07441139336439083
Energy: 0.6000578944171436
Energy: 0.07369631508219764
Energy: 0.6010108122601433
Energy: 0.07369631508219764
Energy: 0.022393462293940833
Energy: 0.07233394810785099
Energy: 0.5984154939409806
Energy: 0.07233394810692685

minimum gb energy = 0.015330073134158937 eV
minimum distance =  2.43590104452943 Angstroms
sigma value = 1