Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0800534188747415
cohesive_energy=3.9303141807648285
mass=196.9665
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=[1.068807226011498e-19, 1.72237192508268e-19, 2.270284290378e-19, 2.7505046928868197e-19, 3.18829945812732e-19, 3.59113472921394e-19, 3.9571359594849e-19, 4.2852617341281e-19, 4.57769101336578e-19, 4.83778836812934e-19, 5.06887030405116e-19, 5.2737246084744e-19, 5.45470648105104e-19, 5.61388272963894e-19, 5.75298370500282e-19, 5.87361158377668e-19, 5.97711219433308e-19, 6.064639103848499e-19, 6.137201683602359e-19, 6.195520913079959e-19, 6.24025368470124e-19, 6.27176849909202e-19, 6.29043385687812e-19, 6.296570193386339e-19, 6.2899051385889e-19, 6.26832381932892e-19, 6.229262752991999e-19, 6.16959769514184e-19, 6.08452211587644e-19, 5.96900518056504e-19, 5.81715087919452e-19, 5.62184554750992e-19, 5.374341301089599e-19, 5.06388753471942e-19, 4.67686574701038e-19, 4.1960204956142994e-19, 3.59906550355224e-19, 2.8571615914122e-19, 1.9324813688654397e-19, 7.75270842719724e-20, -6.808321432052279e-20, -2.52634416002388e-19, -4.88748788731602e-19, -7.94386412139978e-19, -1.195294264735896e-18, -1.72852428335724e-18, -2.4493275292274997e-18, -3.44512837255752e-18, -4.861804995872999e-18, -6.95589792181002e-18, -1.018913843452104e-17, -1.529231134030614e-17, -2.3908480820864998e-17, -4.0274715137175e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.011900322483455893
Energy: 0.06493412055604926
Energy: 0.4297211300552316
Energy: 0.06493412055509185
Energy: 0.06493412055604926
Energy: 0.4427545269212164
Energy: 0.06493412055604926
Energy: 0.4427545269212164
Energy: 0.4297211300624532
Energy: 0.06493412055654164
Energy: 0.011900322483455893
Energy: 0.06493412055604926
Energy: 0.06493412055654164
Energy: 0.4427545269226389
Energy: 0.06493412055364206
Energy: 0.44275452691831685

minimum gb energy = 0.011900322483455893 eV
minimum distance =  2.79752066505618 Angstroms
sigma value = 1


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

Energy: 0.8224516081938977
Energy: 0.5807489295344435
Energy: 0.5811407018867554
Energy: 0.580748929536235
Energy: 0.5497226175114184
Energy: 0.5902802043195978
Energy: 0.5481657616505028
Energy: 0.5902802043190007
Energy: 0.581227276981847
Energy: 0.5806352583981903
Energy: 0.8962357296558408
Energy: 0.5806352583993845
Energy: 0.5501439116092073
Energy: 0.5498086919248424
Energy: 0.5482327334732722
Energy: 0.5498086919254395
Energy: 0.7638951453637806
Energy: 0.5475288443248507
Energy: 0.5496482879096917
Energy: 0.5475288443248507
Energy: 0.5715500591183367
Energy: 0.5716030439125864
Energy: 0.5487557503113936
Energy: 0.5716030439131834
Energy: 0.5726612876575436
Energy: 0.5708848832701637
Energy: 0.5704804869980021
Energy: 0.5708848832695665
Energy: 0.5740773896456998
Energy: 0.5792211290816832
Energy: 0.5926496499468253
Energy: 0.5792211290828775
Energy: 0.5810949788608121
Energy: 0.5766135157134494
Energy: 0.581630635232766
Energy: 0.576613515712255
Energy: 0.5891847486969438
Energy: 0.5787710213142273
Energy: 0.5826309126507004
Energy: 0.5787710213142273
Energy: 0.580116807737478
Energy: 0.5764994229539487
Energy: 0.5814766540501407
Energy: 0.5764994229557401
Energy: 0.5762845316476091
Energy: 0.5753412068860614
Energy: 0.591047972458275
Energy: 0.575341206884867
Energy: 0.5834045763548102
Energy: 0.5703201660075907
Energy: 0.5554560321280311
Energy: 0.5703201660081877
Energy: 0.5719215206130774
Energy: 0.5710182012050216
Energy: 0.5724603226451679
Energy: 0.5710182012038273
Energy: 0.5555529533654574
Energy: 0.5476250531882391
Energy: 0.5483535417684542
Energy: 0.5476250531870448
Energy: 0.5614772486221863
Energy: 0.5503322524361086
Energy: 0.5490964733698627
Energy: 0.5503322524349142
Energy: 0.5809386469805253
Energy: 0.5807042840461141
Energy: 0.5404572232580148
Energy: 0.5807042840473084
Energy: 0.5479950219714551
Energy: 0.5480085038397938
Energy: 0.5544934670295684
Energy: 0.5480085038397938
Energy: 0.5486697398868478
Energy: 0.5804157627291521
Energy: 0.5817329649504038
Energy: 0.5804157627279578
Energy: 0.5719172023735033
Energy: 0.5498488897974443
Energy: 0.5496766580759821
Energy: 0.5498488897962499
Energy: 0.5503328019008801
Energy: 0.5492349828806082
Energy: 0.5696705250567696
Energy: 0.5492349828812052
Energy: 0.548889413686317
Energy: 0.5488495231937578
Energy: 0.5712183756528468
Energy: 0.5488495231949521
Energy: 0.5697326236025597
Energy: 0.5710737329853552
Energy: 0.5710684038912381
Energy: 0.5710737329865495
Energy: 0.586937886698818
Energy: 0.5741976353768483
Energy: 0.572039362640556
Energy: 0.5741976353774455
Energy: 0.5818168836719583
Energy: 0.5768141238977755
Energy: 0.6570182819966807
Energy: 0.5768141238995671
Energy: 0.5826508051905658
Energy: 0.5748446709725977
Energy: 0.5900336012118598
Energy: 0.5748446709749863
Energy: 0.5816688932524193
Energy: 0.5765068522186086
Energy: 0.5799521609735626
Energy: 0.5765068522180115
Energy: 0.5915311998492767
Energy: 0.5752183324208576
Energy: 0.5715434405095019
Energy: 0.5752183324214547
Energy: 0.5554574065339446
Energy: 0.5703792117882476
Energy: 0.5838042076941917
Energy: 0.5703792117864562
Energy: 0.5725055940470751
Energy: 0.5720199261745497
Energy: 0.5728762660390855
Energy: 0.5720199261739526
Energy: 0.547870707527375
Energy: 0.5477175861191159
Energy: 0.5544014766831447
Energy: 0.5477175861185188
Energy: 0.5489541771597285
Energy: 0.5477781662908022
Energy: 0.5615746849650824
Energy: 0.5477781662919966
Energy: 0.5408528997200036
Energy: 0.5491782890916165
Energy: 0.5815397052897026
Energy: 0.5491782890928107

minimum gb energy = 0.5404572232580148 eV
minimum distance =  2.55011422650826 Angstroms
sigma value = 1


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

Energy: 0.93908351710237
Energy: 0.6082690842500972
Energy: 0.6080385931668824
Energy: 0.6082690842582674
Energy: 0.5740216252495821
Energy: 0.6153390192315952
Energy: 0.5744153423498499
Energy: 0.6153390192288719
Energy: 0.6076980841401449
Energy: 0.608435789139267
Energy: 0.5736228127437435
Energy: 0.6084357891440331
Energy: 0.5753538216783748
Energy: 0.5738322478986229
Energy: 0.5742188571401278
Energy: 0.573832247897942
Energy: 0.5743553486225922
Energy: 0.5734780087230159
Energy: 0.574159477324337
Energy: 0.5734780087162074
Energy: 0.6003731625867832
Energy: 0.6407337790889681
Energy: 0.5742550235484813
Energy: 0.6407337790903299
Energy: 0.6016108216854649
Energy: 0.602294367081846
Energy: 0.5997689373114128
Energy: 0.6022943670763993
Energy: 0.6016428666307944
Energy: 0.6191733025365749
Energy: 0.6214246356390186
Energy: 0.6191733025392983
Energy: 0.601322623152926
Energy: 0.6075801474873324
Energy: 0.608765281928683
Energy: 0.6075801474873324
Energy: 0.6200004635442482
Energy: 0.6085735947823168
Energy: 0.6038131311608937
Energy: 0.608573594785721
Energy: 0.585386263506506
Energy: 0.6016555584420495
Energy: 0.6211563878881459
Energy: 0.6016555584352408
Energy: 0.5846446995073832
Energy: 0.6043829439327121
Energy: 0.6008280808806906
Energy: 0.6043829439320312
Energy: 0.5743356778574651
Energy: 0.5735372239120056
Energy: 0.5841061127535795
Energy: 0.5735372239106439
Energy: 0.5740691450650882
Energy: 0.5736187561792206
Energy: 0.563424930646549
Energy: 0.5736187561737739
Energy: 0.5624096161039618
Energy: 0.6080338799308147
Energy: 0.6074830092712511
Energy: 0.6080338799301339
Energy: 0.5835767154222145
Energy: 0.5735666673554345
Energy: 0.5741711365704589
Energy: 0.573566667358158
Energy: 0.6092816954277421
Energy: 0.6082963225998494
Energy: 0.5746769901023568
Energy: 0.6082963226052653
Energy: 0.5751821988333705
Energy: 0.5736030579052871
Energy: 0.6005177146141872
Energy: 0.5736030579052871
Energy: 0.5745189175438293
Energy: 0.5756789761921316
Energy: 0.5765122110595138
Energy: 0.5756789761941741
Energy: 0.6006110722106525
Energy: 0.5735582248607238
Energy: 0.573892277715238
Energy: 0.5735582248587122
Energy: 0.6011831365146304
Energy: 0.6187627402288841
Energy: 0.6000701870723987
Energy: 0.6187627402309267
Energy: 0.600160890389741
Energy: 0.6057231949732803
Energy: 0.6157123878611837
Energy: 0.6057231949671527
Energy: 0.6011282069703694
Energy: 0.6077345762760841
Energy: 0.6083126997500115
Energy: 0.6077345762706682
Energy: 0.6192011675174867
Energy: 0.6076009367698774
Energy: 0.6010169512866683
Energy: 0.60760093677192
Energy: 0.5847964574903866
Energy: 0.6016811857557927
Energy: 0.6216973693593153
Energy: 0.6016811857557927
Energy: 0.5841524920573078
Energy: 0.6030765490675144
Energy: 0.6026239565219222
Energy: 0.6030765490681953
Energy: 0.5737817634059895
Energy: 0.5735853192760462
Energy: 0.5832876428202041
Energy: 0.5735853192787694
Energy: 0.5741863703702782
Energy: 0.5736891882712448
Energy: 0.5633335530514719
Energy: 0.5736891882698831
Energy: 0.5623856963142864
Energy: 0.5753269037737291
Energy: 0.6081441037789235
Energy: 0.5753269037737291

minimum gb energy = 0.5623856963142864 eV
minimum distance =  2.5462490902203 Angstroms
sigma value = 25


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

Energy: 0.958589590355655
Energy: 0.6455304355255198
Energy: 0.6463963621143513
Energy: 0.6455304355247283
Energy: 0.6099341086569433
Energy: 0.6497089042761622
Energy: 0.6120114987612713
Energy: 0.6497089042793281
Energy: 0.6459204332508751
Energy: 0.6454168407143454
Energy: 0.8535553509836754
Energy: 0.645416840713554
Energy: 0.6121252549174129
Energy: 0.6111997709423886
Energy: 0.6111205973532434
Energy: 0.6111997709431801
Energy: 0.5964003697385746
Energy: 0.6106401320887617
Energy: 0.612396971723947
Energy: 0.6106401320903446
Energy: 0.6398297563534947
Energy: 0.6696387811899334
Energy: 0.6124403880612299
Energy: 0.6696387811899334
Energy: 0.6371479183556845
Energy: 0.6546668699482926
Energy: 0.632067497057694
Energy: 0.654666869945918
Energy: 0.6343249261843102
Energy: 0.652700917508178
Energy: 0.6363577494909068
Energy: 0.6527009175058036
Energy: 0.6343477851646568
Energy: 0.6459622048033483
Energy: 0.6133733744795195
Energy: 0.6459622048017654
Energy: 0.6356027263838857
Energy: 0.6466937831009775
Energy: 0.6238294054400996
Energy: 0.646693783100186
Energy: 0.6140428765576192
Energy: 0.6356142492264065
Energy: 0.634847144976894
Energy: 0.635614249225615
Energy: 0.5983955422956055
Energy: 0.6186830087871229
Energy: 0.618337534469104
Energy: 0.6186830087879144
Energy: 0.5923426298622088
Energy: 0.5924566468512957
Energy: 0.5843208612283094
Energy: 0.5924566468528786
Energy: 0.592111879909364
Energy: 0.5848469466197415
Energy: 0.6190399038521798
Energy: 0.5848469466157842
Energy: 0.5956626536605992
Energy: 0.6698884854921854
Energy: 0.6711525130591541
Energy: 0.6698884854906024
Energy: 0.6322449423656595
Energy: 0.6189331478913698
Energy: 0.6206735408833122
Energy: 0.6189331478945358
Energy: 0.6148438210715496
Energy: 0.6164228559275752
Energy: 0.5956454477793074
Energy: 0.6164228559299135
Energy: 0.6147123093757012
Energy: 0.6164838346070103
Energy: 0.6404620734062225
Energy: 0.6164838346078018
Energy: 0.6999156118861466
Energy: 0.6634587793698106
Energy: 0.6410616474011605
Energy: 0.6634587793674361
Energy: 0.6294174145325607
Energy: 0.6536924238966035
Energy: 0.6362850603836948
Energy: 0.6536924238997693
Energy: 0.6125616231814726
Energy: 0.6538209583014913
Energy: 0.6808723086802696
Energy: 0.6538209583007
Energy: 0.6131625717668294
Energy: 0.6557642597829672
Energy: 0.6360776051000483
Energy: 0.6557642597837586
Energy: 0.6085477891171541
Energy: 0.6095057067383487
Energy: 0.6143827103673878
Energy: 0.6095057067375571
Energy: 0.6092837490656742
Energy: 0.6096045446692716
Energy: 0.5987034623347236
Energy: 0.6096045446708546
Energy: 0.6136411375219345
Energy: 0.628910974733033
Energy: 0.647089899369576
Energy: 0.62891097473145

minimum gb energy = 0.5843208612283094 eV
minimum distance =  2.54577742693834 Angstroms
sigma value = 9


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

Energy: 0.8296621361034195
Energy: 0.6687915302963221
Energy: 0.6694052294189994
Energy: 0.6687915302944337
Energy: 0.6370192523846381
Energy: 0.6672866978829939
Energy: 0.6369152131465471
Energy: 0.6672866978848822
Energy: 0.6688013563459356
Energy: 0.6686021590540991
Energy: 0.666885664632476
Energy: 0.6686021590531551
Energy: 0.6342965930700029
Energy: 0.6372099970501948
Energy: 0.6364511085642012
Energy: 0.6372099970501948
Energy: 0.6339954706815346
Energy: 0.6375826058048013
Energy: 0.6355209374814178
Energy: 0.6375826058066897
Energy: 0.6352771728439247
Energy: 0.6976028032976209
Energy: 0.6382731630508458
Energy: 0.6976028032966767
Energy: 0.6618848571505729
Energy: 0.6910212952486882
Energy: 0.6369611794953209
Energy: 0.6910212952486882
Energy: 0.6372330743182151
Energy: 0.692206749087452
Energy: 0.6390412675314668
Energy: 0.692206749087452
Energy: 0.6349945056564646
Energy: 0.6375353833622425
Energy: 0.6047029559759476
Energy: 0.6375353833641308
Energy: 0.6366163625738841
Energy: 0.6368748584992882
Energy: 0.6042662701648155
Energy: 0.6368748584992882
Energy: 0.6033447660105201
Energy: 0.6689514297110039
Energy: 0.6681136892277487
Energy: 0.668951429711948
Energy: 0.6600571498860895
Energy: 0.6368479483889679
Energy: 0.6370405341737772
Energy: 0.6368479483889679
Energy: 0.66963900923196
Energy: 0.6689063219034325
Energy: 0.666973790194843
Energy: 0.6689063219053208
Energy: 0.6338406006872945
Energy: 0.6366697768632056
Energy: 0.6319790776912145
Energy: 0.6366697768641497
Energy: 0.6339668310141882
Energy: 0.6352535081891445
Energy: 0.6376837210141095
Energy: 0.6352535081910328
Energy: 0.635379595418835
Energy: 0.6380231363100158
Energy: 0.6366908802264195
Energy: 0.6380231363062392
Energy: 0.6604231554406698
Energy: 0.6936732665669453
Energy: 0.6363943355111487
Energy: 0.6936732665641129
Energy: 0.6592294551217527
Energy: 0.6921361894626615
Energy: 0.6376356429966251
Energy: 0.69213618946455
Energy: 0.6347949231894803
Energy: 0.6377142401109003
Energy: 0.6041198646581221
Energy: 0.6377142401156211
Energy: 0.6364928387969497
Energy: 0.6372013918533244
Energy: 0.604088347023298
Energy: 0.6372013918523801
Energy: 0.6032036662826781
Energy: 0.6343941904254757
Energy: 0.6693799056675817
Energy: 0.6343941904254757

minimum gb energy = 0.6032036662826781 eV
minimum distance =  2.55765115869794 Angstroms
sigma value = 25


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

Energy: 0.7382108892665775
Energy: 0.7020412685788296
Energy: 0.7030029417005674
Energy: 0.702041268577662
Energy: 0.6425688173045704
Energy: 0.6715311510122434
Energy: 0.6415083934744347
Energy: 0.6715311510122434
Energy: 0.7019625887510615
Energy: 0.7019440444482529
Energy: 0.6995879024176587
Energy: 0.7019440444470852
Energy: 0.6275467857527773
Energy: 0.6719857248037159
Energy: 0.6421376079522405
Energy: 0.6719857248037159
Energy: 0.6393096212512359
Energy: 0.6918915694397098
Energy: 0.6441851772239182
Energy: 0.6918915694408775
Energy: 0.6266416811457352
Energy: 0.6958554559435284
Energy: 0.6411950090968972
Energy: 0.6958554559435284
Energy: 0.6240226731366901
Energy: 0.6912894165866689
Energy: 0.6421677402374755
Energy: 0.6912894165878366
Energy: 0.6236287413496978
Energy: 0.6898815694999888
Energy: 0.643911729613607
Energy: 0.6898815695011564
Energy: 0.7012414627060388
Energy: 0.7023515085590898
Energy: 0.770459847899471
Energy: 0.7023515085590898
Energy: 0.6436741471983608
Energy: 0.6909544289721482
Energy: 0.6237911301798068
Energy: 0.6909544289709805
Energy: 0.6994354036773285
Energy: 0.7023320681321921
Energy: 0.7070772868743647
Energy: 0.7023320681333598
Energy: 0.6252749333585579
Energy: 0.6732763452132406
Energy: 0.7143998774216314
Energy: 0.6732763452144085
Energy: 0.6416684551346388
Energy: 0.695028393506962
Energy: 0.6389684865803409
Energy: 0.6950283935057942
Energy: 0.6434688881957012
Energy: 0.6913184941571596
Energy: 0.6282766379700014
Energy: 0.6913184941559918
Energy: 0.6808201410504933
Energy: 0.6901794621059782
Energy: 0.623618159205392
Energy: 0.6901794621071459
Energy: 0.6417730569415673
Energy: 0.6906137320953618
Energy: 0.6237271414252722
Energy: 0.6906137320965294
Energy: 0.7002720252022597
Energy: 0.6283635863134144
Energy: 0.7034679881090347
Energy: 0.6283635863122468

minimum gb energy = 0.623618159205392 eV
minimum distance =  2.61878187995929 Angstroms
sigma value = 17


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

Energy: 1.029599418230741
Energy: 0.7685780459345669
Energy: 0.7663938580970037
Energy: 0.7685780459352283
Energy: 0.6731860425632937
Energy: 0.6844844056616304
Energy: 0.6826074683388604
Energy: 0.6844844056609691
Energy: 0.6844182689324931
Energy: 0.6823525305326836
Energy: 0.7195993868313675
Energy: 0.6823525305326836
Energy: 0.6816173134813552
Energy: 0.708418371770124
Energy: 0.6818787235651236
Energy: 0.708418371770124
Energy: 0.6836174125979733
Energy: 0.7365661570443857
Energy: 0.6426041671408474
Energy: 0.7365661570424018
Energy: 0.68346421152217
Energy: 0.7322252732268728
Energy: 0.6832694796708323
Energy: 0.7322252732275342
Energy: 0.7175300898371701
Energy: 0.681963459151996
Energy: 0.6813911264210418
Energy: 0.6819634591526572
Energy: 0.7238669529131911
Energy: 0.6828648894455968
Energy: 0.657005787134671
Energy: 0.6828648894455968
Energy: 0.7705074267934953
Energy: 0.7678028599320895
Energy: 0.7202457095231266
Energy: 0.7678028599320895
Energy: 0.7762204347368312
Energy: 0.7217969644570258
Energy: 0.6830297672778837
Energy: 0.7217969644563645
Energy: 0.6817417954099094
Energy: 0.657565833486947
Energy: 0.6543920067396612
Energy: 0.6575658334876083
Energy: 0.7216095101872743
Energy: 0.6745030481710683
Energy: 0.6583076425746865
Energy: 0.6745030481710683
Energy: 0.7202949998900946
Energy: 0.6759052193926957
Energy: 0.6746985026842789
Energy: 0.6759052193946795
Energy: 0.7193396899881846
Energy: 0.6755813423768597
Energy: 0.6550601382044432
Energy: 0.6755813423775211
Energy: 0.7715536161303256
Energy: 0.7228586465467818
Energy: 0.7237020045070132
Energy: 0.7228586465467818
Energy: 0.7672197334372023
Energy: 0.7232496763870211
Energy: 0.724234269241584
Energy: 0.7232496763856985
Energy: 0.7235723089598235
Energy: 0.6824739257935366
Energy: 0.6821211900272167
Energy: 0.6824739257915526
Energy: 0.7238487640715214
Energy: 0.6823528085836054
Energy: 0.6808111737995821
Energy: 0.6823528085836054
Energy: 0.6867517526254361
Energy: 0.7359199270277101
Energy: 0.6838988648285845
Energy: 0.7359199270283714
Energy: 0.7055460959614634
Energy: 0.7351083070563679
Energy: 0.6838561880027795
Energy: 0.7351083070590132
Energy: 0.6831746540180177
Energy: 0.6842478385451776
Energy: 0.7220921689773963
Energy: 0.684247838543855
Energy: 0.6825823098714675
Energy: 0.6826056879443744
Energy: 0.7185124758390219
Energy: 0.6826056879437131
Energy: 0.6822499836134653
Energy: 0.7229971481008546
Energy: 0.6829504547279505
Energy: 0.7229971481001932
Energy: 0.7265659509017346
Energy: 0.7678131033311565
Energy: 0.7671047114206101
Energy: 0.7678131033311565
Energy: 0.6579296295062732
Energy: 0.6755069953150319
Energy: 0.7228474855973123
Energy: 0.6755069953156932
Energy: 0.6576356617182518
Energy: 0.6748082481151431
Energy: 0.6818815818050091
Energy: 0.6748082481151431
Energy: 0.6534177071016661
Energy: 0.6602859042440369
Energy: 0.7220891534283846
Energy: 0.6602859042460207
Energy: 0.6582179769137155
Energy: 0.6742359804148965
Energy: 0.7194529037670109
Energy: 0.6742359804135739
Energy: 0.6586104190090263
Energy: 0.6759586280492382
Energy: 0.7186431654530894
Energy: 0.675958628048577
Energy: 0.7197952316973973
Energy: 0.7686132458039048
Energy: 0.7655470252706468
Energy: 0.768613245804566

minimum gb energy = 0.6426041671408474 eV
minimum distance =  2.60857619505246 Angstroms
sigma value = 53


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

Energy: 0.9314000869524348
Energy: 0.7152966184083603
Energy: 0.7163766653709451
Energy: 0.7152966184053154
Energy: 0.7228263204715001
Energy: 0.6485088790584911
Energy: 0.7142216879645851
Energy: 0.6485088790584911
Energy: 0.7147369930820893
Energy: 0.7153817951022141
Energy: 0.729689221966086
Energy: 0.715381795105259
Energy: 0.7178308101713625
Energy: 0.6490130962356889
Energy: 0.7226468987450246
Energy: 0.6490130962539582
Energy: 0.7166380474377492
Energy: 0.64895379518972
Energy: 0.612846661083364
Energy: 0.6489537951866752
Energy: 0.7274191444912781
Energy: 0.6500630571129481
Energy: 0.6175507890486177
Energy: 0.6500630570977236
Energy: 0.8232981140337293
Energy: 0.7154693418008836
Energy: 0.7137449037513892
Energy: 0.7154693417978387
Energy: 0.8065451754134008
Energy: 0.6493865317541752
Energy: 0.7239305022782041
Energy: 0.6493865317556976
Energy: 0.7152305797393155
Energy: 0.715253415376579
Energy: 0.7305778480384867
Energy: 0.7152534153781015
Energy: 0.7207337200385623
Energy: 0.6495575937246523
Energy: 0.7277137951314607
Energy: 0.6495575937033379
Energy: 0.7147267557636579
Energy: 0.6521956482095993
Energy: 0.6201373692140278
Energy: 0.6521956482080769
Energy: 0.7266675088909436
Energy: 0.6484854195022761
Energy: 0.6087713146522212
Energy: 0.6484854195037985
Energy: 0.8066581660819324
Energy: 0.6499419316778609
Energy: 0.7230396176160168
Energy: 0.6499419316778609

minimum gb energy = 0.6087713146522212 eV
minimum distance =  2.60838383895693 Angstroms
sigma value = 9


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

Energy: 0.9078319655074395
Energy: 0.7987057046766133
Energy: 0.7996906472007332
Energy: 0.7987057046799941
Energy: 0.6688964056393212
Energy: 0.6683432306347205
Energy: 0.8043939870049389
Energy: 0.6683432306341571
Energy: 0.6723874164897439
Energy: 0.6694904793914611
Energy: 0.7958108481294188
Energy: 0.6694904793897707
Energy: 0.6697413956973813
Energy: 0.6690754590139482
Energy: 0.8543334780265891
Energy: 0.6690754590139482
Energy: 0.6675872802120707
Energy: 0.6672364924148343
Energy: 0.8593682964891286
Energy: 0.6672364924114533
Energy: 0.6676989362040674
Energy: 0.6667332136788672
Energy: 0.856563874945048
Energy: 0.6667332136783036
Energy: 0.8019169830496427
Energy: 0.7956719480711081
Energy: 0.8057886525273324
Energy: 0.7956719480677272
Energy: 0.8026232772850881
Energy: 0.7338270176377103
Energy: 0.7953068660718471
Energy: 0.7338270176394008
Energy: 0.7034510594124095
Energy: 0.7434261907236955
Energy: 0.7206695866850585
Energy: 0.743426190723132
Energy: 0.6677751767211574
Energy: 0.7334427416405951
Energy: 0.7974547015168499
Energy: 0.7334427416389048
Energy: 0.702596624101728
Energy: 0.7041875924454334
Energy: 0.7583791890016738
Energy: 0.70418759244487
Energy: 0.7094837296141866
Energy: 0.7477114520243854
Energy: 0.8496608042908982
Energy: 0.7477114520249489
Energy: 0.8038235535013455
Energy: 0.703434933505299
Energy: 0.713050794314951
Energy: 0.703434933506426
Energy: 0.8030615517404259
Energy: 0.703535735489325
Energy: 0.7023320768773901
Energy: 0.7035357354881979
Energy: 0.7945941566843782
Energy: 0.698267926851097
Energy: 0.7085122051373555
Energy: 0.698267926851097
Energy: 0.7391161265999898
Energy: 0.7438120544456752
Energy: 0.7093057421853021
Energy: 0.7438120544456752
Energy: 0.7965219393677676
Energy: 0.6682130241365355
Energy: 0.7042379295307831
Energy: 0.6682130241365355
Energy: 0.7984834035480357
Energy: 0.7986414806890472
Energy: 0.8518098708943289
Energy: 0.7986414806946819
Energy: 0.8050829885407225
Energy: 0.6687289476947554
Energy: 0.7052382859992394
Energy: 0.6687289476970094
Energy: 0.8440136842654353
Energy: 0.6705241953711241
Energy: 0.6722219064908219
Energy: 0.670524195372251
Energy: 0.8070790480338299
Energy: 0.6683983818272526
Energy: 0.6689363685006935
Energy: 0.6683983818283795
Energy: 0.8569243242292103
Energy: 0.6668860123556973
Energy: 0.6670381882763805
Energy: 0.6668860123556973
Energy: 0.8587527682340742
Energy: 0.6673429641185338
Energy: 0.6676878733255968
Energy: 0.6673429641190973
Energy: 0.8068368488051643
Energy: 0.7963565646371584
Energy: 0.8025726272246252
Energy: 0.7963565646371584
Energy: 0.7958706984039576
Energy: 0.7379211495472674
Energy: 0.8026753939645895
Energy: 0.7379211495472674
Energy: 0.711830107509479
Energy: 0.7417184263524467
Energy: 0.7023029979175965
Energy: 0.7417184263535735
Energy: 0.7983621484974268
Energy: 0.7330053424872378
Energy: 0.667664682702752
Energy: 0.7330053424872378
Energy: 0.7581442963686568
Energy: 0.7006302857347161
Energy: 0.7025818067907609
Energy: 0.7006302857364065
Energy: 0.8519932891959471
Energy: 0.7085954724669127
Energy: 0.7124184233113732
Energy: 0.7085954724674761
Energy: 0.7141649739922197
Energy: 0.6946536730632915
Energy: 0.8093346764002405
Energy: 0.6946536730632915
Energy: 0.7035873313302604
Energy: 0.7030779737201319
Energy: 0.7945227460788962
Energy: 0.7030779737173145
Energy: 0.7062080756020018
Energy: 0.6987082304163139
Energy: 0.7973162008156918
Energy: 0.6987082304151869
Energy: 0.710344350696727
Energy: 0.7428757409354824
Energy: 0.7387675763183612
Energy: 0.7428757409349189
Energy: 0.7031135824329241
Energy: 0.6697943470472102
Energy: 0.7421033283443034
Energy: 0.669794347050591
Energy: 0.8507773440338087
Energy: 0.7959203959797265
Energy: 0.7976594450718908
Energy: 0.7959203959797265

minimum gb energy = 0.6667332136783036 eV
minimum distance =  2.59188452629185 Angstroms
sigma value = 73


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

Energy: 0.9604874541835774
Energy: 0.7697770423362281
Energy: 0.7698492061121684
Energy: 0.7697770423380162
Energy: 0.680994984244342
Energy: 0.6782564962298445
Energy: 0.7603173773700392
Energy: 0.6782564962298445
Energy: 0.6805901061314789
Energy: 0.679820197943585
Energy: 0.7836911299430087
Energy: 0.679820197943585
Energy: 0.6776419180869911
Energy: 0.6786170485253321
Energy: 0.8391297547104342
Energy: 0.678617048524438
Energy: 0.6792780965448827
Energy: 0.679964467355959
Energy: 0.8136765003075349
Energy: 0.679964467357747
Energy: 0.7188006184373424
Energy: 0.6799751825151449
Energy: 0.7994556381194721
Energy: 0.6799751825160388
Energy: 0.7551490925218284
Energy: 0.7808361635388349
Energy: 0.7915236906203593
Energy: 0.7808361635370469
Energy: 0.7170485046229365
Energy: 0.7439886585951302
Energy: 0.7804045970535249
Energy: 0.7439886585951302
Energy: 0.7113762848539956
Energy: 0.7454011040827778
Energy: 0.7816479049506923
Energy: 0.7454011040800959
Energy: 0.7160804952416703
Energy: 0.6967067597107377
Energy: 0.7807943978766576
Energy: 0.6967067597071617
Energy: 0.7028089365489916
Energy: 0.6625837628701826
Energy: 0.6706400801079158
Energy: 0.6625837628701826
Energy: 0.7015958895223321
Energy: 0.6633035843894405
Energy: 0.8247903193773772
Energy: 0.6633035843894405
Energy: 0.7862914137197082
Energy: 0.7059651420378112
Energy: 0.7030214192730107
Energy: 0.7059651420369173
Energy: 0.783178653286714
Energy: 0.7061671981590786
Energy: 0.7028433540265625
Energy: 0.7061671981581846
Energy: 0.7913210759671712
Energy: 0.7351428102042049
Energy: 0.7022063874819067
Energy: 0.7351428102042049
Energy: 0.8333980769048113
Energy: 0.7031739741321605
Energy: 0.7021914222801411
Energy: 0.7031739741294786
Energy: 0.834644998900523
Energy: 0.7389540672355872
Energy: 0.7029770761748658
Energy: 0.7389540672346933
Energy: 0.7711114038463462
Energy: 0.7659543088792303
Energy: 0.7552137810982406
Energy: 0.7659543088765483
Energy: 0.7576997958500062
Energy: 0.7219408645121226
Energy: 0.7539589708874027
Energy: 0.7219408645121226
Energy: 0.774599454511425
Energy: 0.7217481888792484
Energy: 0.7573996535999192
Energy: 0.7217481888783545
Energy: 0.7586567580081802
Energy: 0.7229205451950437
Energy: 0.7101022609738386
Energy: 0.7229205451950437
Energy: 0.7981410078630039
Energy: 0.754755473285212
Energy: 0.7552280794435464
Energy: 0.7547554732861059

minimum gb energy = 0.6625837628701826 eV
minimum distance =  2.55910001985541 Angstroms
sigma value = 7


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

Energy: 1.1127457015576896
Energy: 0.7732382435530749
Energy: 0.7729936931581399
Energy: 0.7732382435505463
Energy: 0.6808072051236129
Energy: 0.6818559735368294
Energy: 0.7531593204220598
Energy: 0.6818559735349329
Energy: 0.6781408074904332
Energy: 0.6809790066050521
Energy: 0.7532907594375456
Energy: 0.6809790066069485
Energy: 0.6794653214075185
Energy: 0.6802520079440856
Energy: 0.8223699037355366
Energy: 0.68025200794535
Energy: 0.679572571177172
Energy: 0.6796927476334584
Energy: 0.8096222488749882
Energy: 0.6796927476410444
Energy: 0.6808866127325738
Energy: 0.680677282347553
Energy: 0.8079842615779976
Energy: 0.6806772823500816
Energy: 0.753252443323443
Energy: 0.6796191088823741
Energy: 0.680622696022533
Energy: 0.6796191088773168
Energy: 0.7507152937357198
Energy: 0.6802833459081262
Energy: 0.679637504172545
Energy: 0.6802833459049654
Energy: 0.8223438697434361
Energy: 0.680391685634134
Energy: 0.6795991507262517
Energy: 0.6803916856404557
Energy: 0.8229750003042121
Energy: 0.6812571959123651
Energy: 0.6785762413516808
Energy: 0.6812571959123651
Energy: 0.7540780195720511
Energy: 0.7238920071796371
Energy: 0.6806772694932545
Energy: 0.7238920071777405
Energy: 0.7530728711747358
Energy: 0.7514175849752015
Energy: 0.7495874168582642
Energy: 0.7514175849701442
Energy: 0.748740770138553
Energy: 0.7192544258833251
Energy: 0.7512765379304078
Energy: 0.7192544258763713
Energy: 0.7490683650676303
Energy: 0.719235766195597
Energy: 0.6875444478505126
Energy: 0.7192357661924362
Energy: 0.7512592104857727
Energy: 0.719103801119271
Energy: 0.6867133711634292
Energy: 0.7191038011224317
Energy: 0.6876666782981857
Energy: 0.7493762326390986
Energy: 0.7528869066667893
Energy: 0.7493762326359378
Energy: 0.6879678399322247
Energy: 0.7229297596924819
Energy: 0.7537262707484523
Energy: 0.7229297596899533
Energy: 0.67884255108591
Energy: 0.6813280619252463
Energy: 0.7556054435617143
Energy: 0.6813280619284072
Energy: 0.6796662383723304
Energy: 0.6806132483331029
Energy: 0.8230822685026846
Energy: 0.680613248333735
Energy: 0.6799069472078992
Energy: 0.6802470505142864
Energy: 0.6889975741996666
Energy: 0.6802470505174472
Energy: 0.6806446320093327
Energy: 0.6796673481584041
Energy: 0.8114765232312785
Energy: 0.6796673481672257
Energy: 0.7496193998993033
Energy: 0.6799805888877619
Energy: 0.6808487759536229
Energy: 0.6799805888909226
Energy: 0.7502531232188225
Energy: 0.6796359710764872
Energy: 0.6785435289993328
Energy: 0.6796359710701657
Energy: 0.8223092647178216
Energy: 0.6801221201363613
Energy: 0.679577155469626
Energy: 0.6801221201350971
Energy: 0.8201151108460829
Energy: 0.6811401375794222
Energy: 0.6785946248882624
Energy: 0.6811401375825828
Energy: 0.8069009107857428
Energy: 0.6813498608645266
Energy: 0.6808399695916365
Energy: 0.6813498608544121
Energy: 0.7729687411442492
Energy: 0.7733296083169011
Energy: 0.9667068712437369
Energy: 0.7733296083137403
Energy: 0.7479238519663218
Energy: 0.7193699249836396
Energy: 0.75374873575714
Energy: 0.7193699249804788
Energy: 0.7530366495366306
Energy: 0.7195642451274926
Energy: 0.748674198455904
Energy: 0.7195642451274926
Energy: 0.7501826007010608
Energy: 0.7220991725214346
Energy: 0.6872286222267671
Energy: 0.7220991725239634
Energy: 0.6877412909959723
Energy: 0.7495643077771124
Energy: 0.7498306114503434
Energy: 0.7495643077752159

minimum gb energy = 0.6781408074904332 eV
minimum distance =  2.57167162382875 Angstroms
sigma value = 29


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

Energy: 0.6316667142718352
Energy: 0.7471826545887097
Energy: 0.7129982650934698
Energy: 0.7471826545876331
Energy: 0.6509018475819388
Energy: 0.6885159716724029
Energy: 0.6469918871345176
Energy: 0.6885159716732592
Energy: 0.644191361843794
Energy: 0.6764627386409882
Energy: 0.6338144226330059
Energy: 0.6764627386431169
Energy: 0.6382603870651378
Energy: 0.6428765149433198
Energy: 0.6461492080777691
Energy: 0.6428765149450325
Energy: 0.6423002951858459
Energy: 0.6468346227406983
Energy: 0.6364116935847602
Energy: 0.6468346227406983
Energy: 0.6467407257074942
Energy: 0.6834046300039822
Energy: 0.6378206340003254
Energy: 0.6834046300065514
Energy: 0.6339433650845054
Energy: 0.675184542294248
Energy: 0.6450505932827025
Energy: 0.6751845422961807
Energy: 0.6464126994788834
Energy: 0.6473104250375616
Energy: 0.6417844456069189
Energy: 0.6473104250407911
Energy: 0.6361105548595963
Energy: 0.6445803763609272
Energy: 0.648811846607993
Energy: 0.64458037636264

minimum gb energy = 0.6316667142718352 eV
minimum distance =  2.58347341407521 Angstroms
sigma value = 5


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

Energy: 0.8747730360033696
Energy: 0.6350959900126709
Energy: 0.7327668365397668
Energy: 0.6350959900084909
Energy: 0.7221310759864863
Energy: 0.6348213256181097
Energy: 0.7274641055282948
Energy: 0.6348213256181097
Energy: 0.7288606474074779
Energy: 0.6827637149204399
Energy: 0.7460184601122158
Energy: 0.6827637149198427
Energy: 0.6504375101343655
Energy: 0.6874269754507688
Energy: 0.7224484653961682
Energy: 0.6874269754519632
Energy: 0.7388149003851888
Energy: 0.6325666915690343
Energy: 0.7432360746638056
Energy: 0.6325666915684371
Energy: 0.6329777474908798
Energy: 0.635482990570369
Energy: 0.7430403913006908
Energy: 0.6354829905709661
Energy: 0.6324241239861121
Energy: 0.6323570938927223
Energy: 0.722635660117308
Energy: 0.6323570938927223
Energy: 0.6398809845299057
Energy: 0.6350547250861591
Energy: 0.8041619042267844
Energy: 0.6350547250855619
Energy: 0.6541237015203746
Energy: 0.6474694724310123
Energy: 0.795419109212416
Energy: 0.6474694724322065
Energy: 0.7616068875696176
Energy: 0.6162249592179916
Energy: 0.6211251821274792
Energy: 0.6162249592173945
Energy: 0.6538479744643996
Energy: 0.6154625958301683
Energy: 0.6175018071729954
Energy: 0.6154625958290011
Energy: 0.8305227739275086
Energy: 0.6144222806811476
Energy: 0.6147611662237232
Energy: 0.6144222806799534
Energy: 0.835568389691382
Energy: 0.6146511022638389
Energy: 0.61538415339715
Energy: 0.6146511022632417
Energy: 0.6336873738801115
Energy: 0.6445686824685842
Energy: 0.7439982803692174
Energy: 0.6445686824691814
Energy: 0.6336578283408735
Energy: 0.6321721267264202
Energy: 0.7436251830733372
Energy: 0.6321721267258231
Energy: 0.6357943666802657
Energy: 0.6335494113063064
Energy: 0.7216790584498207
Energy: 0.6335494113063064
Energy: 0.6336027302904991
Energy: 0.6333950615936267
Energy: 0.650015418925951
Energy: 0.6333950615936267
Energy: 0.7533676426214845
Energy: 0.6360447476492801
Energy: 0.6502901818989218
Energy: 0.6360447476504744
Energy: 0.7304839139399127
Energy: 0.6840227141025821
Energy: 0.7315429597377529
Energy: 0.6840227141007905
Energy: 0.7236461910828873
Energy: 0.6857316786191894
Energy: 0.6486747150103677
Energy: 0.6857316786185922
Energy: 0.7437550509149671
Energy: 0.6382509911919336
Energy: 0.7228725164473715
Energy: 0.6382509911931278
Energy: 0.742626052312744
Energy: 0.6327271014987436
Energy: 0.6327338633505801
Energy: 0.6327271014987436
Energy: 0.7220871367493111
Energy: 0.6324548960647758
Energy: 0.6334156347166389
Energy: 0.632454896065373
Energy: 0.8029931081116657
Energy: 0.6337849299134171
Energy: 0.6367827209303476
Energy: 0.6337849299116256
Energy: 0.8307668326838028
Energy: 0.6450494130944694
Energy: 0.6532573603119286
Energy: 0.6450494130950665
Energy: 0.6172181568283543
Energy: 0.6168971454526363
Energy: 0.7616626156861733
Energy: 0.6168971454538307
Energy: 0.6193866900254533
Energy: 0.6164095340652559
Energy: 0.6541240785835587
Energy: 0.6164095340664503
Energy: 0.6149628408208884
Energy: 0.6161370445047728
Energy: 0.6766665539975303
Energy: 0.6161370445035784
Energy: 0.6151277462265832
Energy: 0.6153931569363241
Energy: 0.7920513747919876
Energy: 0.61539315693513
Energy: 0.7437331796515487
Energy: 0.6442624515312898
Energy: 0.6524046722721494
Energy: 0.6442624515300956
Energy: 0.7438545507740273
Energy: 0.6327047235275128
Energy: 0.6340444033525703
Energy: 0.63270472352811
Energy: 0.7216006990946883
Energy: 0.6336241208111965
Energy: 0.6332512304498682
Energy: 0.633624120812988
Energy: 0.6508701973293883
Energy: 0.6321660976610022
Energy: 0.6329095814627139
Energy: 0.6321660976610022

minimum gb energy = 0.6144222806799534 eV
minimum distance =  2.57030282555809 Angstroms
sigma value = 1


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

Energy: 0.9312775083589477
Energy: 0.6011801887319479
Energy: 0.7090241814435289
Energy: 0.6011801887360761
Energy: 0.6021685317396053
Energy: 0.6018249565481217
Energy: 0.729751607164763
Energy: 0.6018249565481217
Energy: 0.7303005115409745
Energy: 0.664107168544648
Energy: 0.7324364451263773
Energy: 0.6641071685462993
Energy: 0.6190612382854989
Energy: 0.6647902664306972
Energy: 0.7234767769275474
Energy: 0.6647902664315228
Energy: 0.6008089134120324
Energy: 0.5995432519559607
Energy: 0.7275861355389273
Energy: 0.5995432519592635
Energy: 0.6003221419549414
Energy: 0.6017604444758285
Energy: 0.7283402107220974
Energy: 0.6017604444758285
Energy: 0.5977906726789182
Energy: 0.5990522276496338
Energy: 0.7242431722863881
Energy: 0.5990522276471569
Energy: 0.6046031877382424
Energy: 0.6042954330978972
Energy: 0.8233039957906748
Energy: 0.6042954330954203
Energy: 0.7257639587107619
Energy: 0.6243895197301652
Energy: 0.8226900063179499
Energy: 0.6243895197326423
Energy: 0.7320129189234352
Energy: 0.6038501552325609
Energy: 0.6165676099399384
Energy: 0.6038501552325609
Energy: 0.7248912376988482
Energy: 0.5993528086642288
Energy: 0.5983110740004185
Energy: 0.5993528086642288
Energy: 0.8208705820857284
Energy: 0.605539793623304
Energy: 0.6005092125987512
Energy: 0.6055397936216528
Energy: 0.8204793394066362
Energy: 0.5996291933701753
Energy: 0.6002340023421125
Energy: 0.5996291933701753
Energy: 0.7227876288774161
Energy: 0.6643234877634769
Energy: 0.7311004657622423
Energy: 0.6643234877626513
Energy: 0.6207819541039704
Energy: 0.663300240570463
Energy: 0.7307207748612954
Energy: 0.663300240570463
Energy: 0.6180941394519941
Energy: 0.6007979276521281
Energy: 0.7233779192481237
Energy: 0.6007979276529538
Energy: 0.5996065387010447
Energy: 0.6002120563231796
Energy: 0.7297284069951633
Energy: 0.6002120563215283
Energy: 0.6042904736411172
Energy: 0.6033724244354559
Energy: 0.721464097247673
Energy: 0.6033724244354559
Energy: 0.5984629350495608
Energy: 0.5996600687124433
Energy: 0.8227563814548396
Energy: 0.5996600687099662
Energy: 0.6006036708669376
Energy: 0.6076122715319613
Energy: 0.8226251658518291
Energy: 0.6076122715261817
Energy: 0.7282453460901406
Energy: 0.6209391617045946
Energy: 0.6010663846248177
Energy: 0.6209391617037688
Energy: 0.7298977714741233
Energy: 0.6009000432921312
Energy: 0.6036815438228362
Energy: 0.6009000432946081
Energy: 0.723504444378363
Energy: 0.5995642638008667
Energy: 0.5994715393532638
Energy: 0.5995642638000409
Energy: 0.8202731041062863
Energy: 0.599834793971917
Energy: 0.5997724334722399
Energy: 0.5998347939735682

minimum gb energy = 0.5977906726789182 eV
minimum distance =  2.57565281804731 Angstroms
sigma value = 17


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

Energy: 0.9985813812468661
Energy: 0.599555769610908
Energy: 0.7137946294195767
Energy: 0.5995557695231784
Energy: 0.6067633165530467
Energy: 0.5978173776708553
Energy: 0.680578779426912
Energy: 0.597817377668814
Energy: 0.7437216531099033
Energy: 0.6031696430468942
Energy: 0.6989544123126663
Energy: 0.6031696430468942
Energy: 0.78884596145502
Energy: 0.624965044510462
Energy: 0.6748156956736862
Energy: 0.6249650445094413
Energy: 0.662245998663174
Energy: 0.5823759371487144
Energy: 0.7917227319974973
Energy: 0.5823759371476938
Energy: 0.5828524587381162
Energy: 0.581806556222138
Energy: 0.7726653029524335
Energy: 0.5818065562195863
Energy: 0.583042168259993
Energy: 0.5825317469602321
Energy: 0.60949917414437
Energy: 0.5825317469622735
Energy: 0.5885085361976109
Energy: 0.5836583319812868
Energy: 0.7788287758769917
Energy: 0.5836583319828179
Energy: 0.7654439746280817
Energy: 0.5839690277719023
Energy: 0.7427909826895565
Energy: 0.5839690277729229
Energy: 0.7013354018522217
Energy: 0.627543350283267
Energy: 0.6880161909682648
Energy: 0.6275433502812722
Energy: 0.7634167476626721
Energy: 0.5956024671219815
Energy: 0.6062928967265212
Energy: 0.5956024671219815
Energy: 0.7700293340234591
Energy: 0.5990475923036263
Energy: 0.6747030126134724
Energy: 0.5990475923056676
Energy: 0.7763139149089834
Energy: 0.5950869597642214
Energy: 0.5963285216716945
Energy: 0.5950869597626904
Energy: 0.6951098197118821
Energy: 0.5956134999679272
Energy: 0.5969138021034408
Energy: 0.5956134999679272
Energy: 0.7836986809574298
Energy: 0.596812709394426
Energy: 0.6026404842093157
Energy: 0.5968127093949364
Energy: 0.780589741020407
Energy: 0.5955533617912008
Energy: 0.5985047926060151
Energy: 0.5955533617906905
Energy: 0.5962595993665147
Energy: 0.6003550059916611
Energy: 0.6896893897963634
Energy: 0.600355006003909
Energy: 0.5955606485954704
Energy: 0.595182780619324
Energy: 0.7671445193614906
Energy: 0.5951827806183033
Energy: 0.6065540087821478
Energy: 0.5976269708041289
Energy: 0.6766056795070208
Energy: 0.5976269708056599
Energy: 0.5969672216376337
Energy: 0.5952884533674302
Energy: 0.6836663155874364
Energy: 0.5952884533704458
Energy: 0.6794945964903533
Energy: 0.5967266569698991
Energy: 0.5961818680574715
Energy: 0.5967266569709198
Energy: 0.6991685192300818
Energy: 0.601016719776525
Energy: 0.7460222287069175
Energy: 0.6010167197755044
Energy: 0.6747475831331045
Energy: 0.6236343148722973
Energy: 0.7848299614657365
Energy: 0.6236343148728075
Energy: 0.7960408694397332
Energy: 0.5829692216514902
Energy: 0.6617964740591266
Energy: 0.5829692216479181
Energy: 0.7703225432857411
Energy: 0.5818953295211898
Energy: 0.581962842506049
Energy: 0.5818953295222106
Energy: 0.6754932247121429
Energy: 0.583223954311176
Energy: 0.5858837446654591
Energy: 0.5832239543121965
Energy: 0.5885521276584856
Energy: 0.5839143738660967
Energy: 0.5881558051649095
Energy: 0.5839143738676277
Energy: 0.6766986516883954
Energy: 0.5833938745891974
Energy: 0.7681134406268613
Energy: 0.5833938745912387
Energy: 0.6816087062283659
Energy: 0.626402293108841
Energy: 0.6996865688981404
Energy: 0.6264022931073101
Energy: 0.6073102387552658
Energy: 0.5950575259602277
Energy: 0.7622326839887522
Energy: 0.5950575259627793
Energy: 0.6742631890384974
Energy: 0.5957484810055063
Energy: 0.7721854846758746
Energy: 0.5957484810029546
Energy: 0.595593783945747
Energy: 0.5955366206229198
Energy: 0.7732700932865855
Energy: 0.5955366206229198
Energy: 0.595390799721112
Energy: 0.5950427107652033
Energy: 0.696042297449789
Energy: 0.5950427107667342
Energy: 0.6020983694963721
Energy: 0.5979456366900496
Energy: 0.7856487051249396
Energy: 0.5979456366910704
Energy: 0.699621437212239
Energy: 0.6085891521401262
Energy: 0.7947076388674595
Energy: 0.6085891521401262
Energy: 0.8976353523256208
Energy: 0.5991962414844115
Energy: 0.5963940061257791
Energy: 0.5991962414849219
Energy: 0.7643061086110187
Energy: 0.5951224702836088
Energy: 0.5958918181973017
Energy: 0.5951224702866708
Energy: 0.7438657564186009
Energy: 0.5985718615679138
Energy: 0.5960527766992814
Energy: 0.5985718615674035

minimum gb energy = 0.5818065562195863 eV
minimum distance =  2.56563642009362 Angstroms
sigma value = 89


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

Energy: 1.2158740907910197
Energy: 0.5800356977439304
Energy: 0.5803244464060631
Energy: 0.5800356977986766
Energy: 0.6400130347235918
Energy: 0.6278489983664388
Energy: 0.5905185299746409
Energy: 0.6278489983664388
Energy: 0.6481868172758277
Energy: 0.6277432932762285
Energy: 0.5929045703532887
Energy: 0.6277432932762285
Energy: 0.6652496501470845
Energy: 0.6297302279177788
Energy: 0.5378385008972146
Energy: 0.6297302279164436
Energy: 0.6387174733847826
Energy: 0.5356060964791123
Energy: 0.6415392677407101
Energy: 0.5356060964751065
Energy: 0.6384533940940428
Energy: 0.5357349644445931
Energy: 0.64235298604899
Energy: 0.5357349644472637
Energy: 0.638455160480793
Energy: 0.5356160441406876
Energy: 0.5392466022615208
Energy: 0.5356160441406876
Energy: 0.637777691308129
Energy: 0.540673481205889
Energy: 0.5357160042733207
Energy: 0.5406734812072242
Energy: 0.6404486873523281
Energy: 0.5361806342384995
Energy: 0.545315445186122
Energy: 0.5361806342384995
Energy: 0.6382370327731364
Energy: 0.5820902714832655
Energy: 0.5423251968739538
Energy: 0.582090271485936
Energy: 0.6393488728696937
Energy: 0.5834062003171819
Energy: 0.6656222841910815
Energy: 0.5834062003158466
Energy: 0.642399081688333
Energy: 0.5791764299750745
Energy: 0.536804359283589
Energy: 0.5791764299724039
Energy: 0.6422892872620268
Energy: 0.5796097283548548
Energy: 0.587979752817621
Energy: 0.5796097283548548
Energy: 0.7431540994211687
Energy: 0.5779507066166005
Energy: 0.5791288655911481
Energy: 0.5779507066139301
Energy: 0.6579826386452543
Energy: 0.5794211148462837
Energy: 0.5808832387035693
Energy: 0.579421114843613

minimum gb energy = 0.5356060964751065 eV
minimum distance =  2.5694466483557 Angstroms
sigma value = 13


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

Energy: 0.9239831869473035
Energy: 0.5204253570687005
Energy: 0.6622569364902914
Energy: 0.520425357355655
Energy: 0.6026385894118991
Energy: 0.5175465159685901
Energy: 0.6114486965833674
Energy: 0.517546515973627
Energy: 0.5350373196806144
Energy: 0.516263306429098
Energy: 0.6163859191226794
Energy: 0.5162633064346946
Energy: 0.7071408258644292
Energy: 0.5193611036393707
Energy: 0.6055231719132332
Energy: 0.51936110364049
Energy: 0.609435903700376
Energy: 0.5175640045963502
Energy: 0.6261518275399188
Energy: 0.5175640045924326
Energy: 0.6071873433928565
Energy: 0.5170168730085883
Energy: 0.6136668037382851
Energy: 0.517016873012506
Energy: 0.6072412233049482
Energy: 0.5159566385750075
Energy: 0.6036856922111626
Energy: 0.5159566385727689
Energy: 0.6060982453864088
Energy: 0.5154204066079048
Energy: 0.6152928558444692
Energy: 0.51542040659895
Energy: 0.5149530958181293
Energy: 0.5172651519452399
Energy: 0.607718252329839
Energy: 0.5172651519379643
Energy: 0.5150253661655937
Energy: 0.5164491333801167
Energy: 0.6067608112861773
Energy: 0.5164491333806763
Energy: 0.5173051524608673
Energy: 0.516576018338929
Energy: 0.9242274907372952
Energy: 0.5165760183400482
Energy: 0.7151024596495003
Energy: 0.5156899663987154
Energy: 0.6070932139400754
Energy: 0.5156899664087895
Energy: 0.6188363871874399
Energy: 0.5418644333450795
Energy: 0.6028682691592281
Energy: 0.5418644333456392
Energy: 0.6056653955187038
Energy: 0.5436826645370477
Energy: 0.7079917217305296
Energy: 0.5436826645392863
Energy: 0.6130664188694553
Energy: 0.5179003632682371
Energy: 0.6062560792688976
Energy: 0.5179003632687967
Energy: 0.6104493109255497
Energy: 0.5165416883500729
Energy: 0.5186427339091074
Energy: 0.5165416883556694
Energy: 0.7100642294592469
Energy: 0.516811466338282
Energy: 0.5182528296872011
Energy: 0.516811466333245
Energy: 0.5177818310908668
Energy: 0.5157085790950471
Energy: 0.5175753681383739
Energy: 0.5157085790989647
Energy: 0.6970164670094706
Energy: 0.518807799776969
Energy: 0.6023695820563646
Energy: 0.5188077997741708
Energy: 0.7162853329831241
Energy: 0.5152340989855706
Energy: 0.6143707620284861
Energy: 0.5152340989900479
Energy: 0.7069500668406747
Energy: 0.5161922095482
Energy: 0.6033745733445159
Energy: 0.5161922095526772
Energy: 0.7160323794829341
Energy: 0.5506423884616721
Energy: 0.602432150192171
Energy: 0.5506423884678284
Energy: 0.6098374986501754
Energy: 0.5186416120009879
Energy: 0.7282196811017755
Energy: 0.5186416119953914
Energy: 0.5198012579964876
Energy: 0.5152872177638428
Energy: 0.6067681302408937
Energy: 0.5152872177655218
Energy: 0.6040421632455887
Energy: 0.5162272544391996
Energy: 0.6122743652911365
Energy: 0.5162272544414384
Energy: 0.5159474409350743
Energy: 0.5153476530549709
Energy: 0.6086349998388593
Energy: 0.5153476530454565
Energy: 0.5158698581499265
Energy: 0.5154286354498342
Energy: 0.71216113848063
Energy: 0.5154286354559905
Energy: 0.5158656446468569
Energy: 0.5181033491101517
Energy: 0.5209690142989172
Energy: 0.5181033491163077
Energy: 0.7125470762967949
Energy: 0.5171791114963757
Energy: 0.6896773776779579
Energy: 0.5171791115030918
Energy: 0.6135936386794303
Energy: 0.5439720661882672
Energy: 0.7105669740299093
Energy: 0.5439720661899463
Energy: 0.6062028276492655
Energy: 0.5412004930354011
Energy: 0.7075709928879349
Energy: 0.5412004930337221
Energy: 0.6100699384118567
Energy: 0.5162590932745967
Energy: 0.7101023781359801
Energy: 0.5162590932662018
Energy: 0.6137248972010179
Energy: 0.5178228084336779
Energy: 0.52645853733906
Energy: 0.5178228084303199
Energy: 0.7108172340788612
Energy: 0.5156720707213258
Energy: 0.5157490655785897
Energy: 0.515672070727482
Energy: 0.6834593983953449
Energy: 0.5161717604925412
Energy: 0.5194259256322284
Energy: 0.5161717604942203

minimum gb energy = 0.5149530958181293 eV
minimum distance =  2.59316003883151 Angstroms
sigma value = 37


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

Energy: 0.7947937634179579
Energy: 0.4713005473563902
Energy: 0.471768146463497
Energy: 0.4713005473640714
Energy: 0.7711011802707708
Energy: 0.46965251442619327
Energy: 0.6185398272430945
Energy: 0.46965251442523037
Energy: 0.7640195660307024
Energy: 0.4700703579882689
Energy: 0.6210546542631732
Energy: 0.47007035798923175
Energy: 0.7627653797964984
Energy: 0.5171874431998574
Energy: 0.6203668330429655
Energy: 0.5171874431998574
Energy: 0.6201387710298284
Energy: 0.5219196212841827
Energy: 0.6190304127925756
Energy: 0.5219196212841827
Energy: 0.6209688226826559
Energy: 0.46970380713792553
Energy: 0.7684404210075969
Energy: 0.46970380714081417
Energy: 0.47029039209193896
Energy: 0.4684921874288891
Energy: 0.7691237440123404
Energy: 0.4684921874279262
Energy: 0.4755954419328642
Energy: 0.46967847084310316
Energy: 0.7642370465401396
Energy: 0.46967847084310316
Energy: 0.4692815384385203
Energy: 0.47137438399949494
Energy: 0.7642590318165313
Energy: 0.47137438399853215
Energy: 0.4684036887885877
Energy: 0.4697542916209543
Energy: 0.7714144900740134
Energy: 0.46975429162191706
Energy: 0.47176814644616516
Energy: 0.47130054736021987
Energy: 0.7947937634189209
Energy: 0.4713005473631085
Energy: 0.6185398272430945
Energy: 0.46965251442619327
Energy: 0.7711011802707708
Energy: 0.46965251442811906
Energy: 0.6210546542631732
Energy: 0.4700703579911575
Energy: 0.7640195660316653
Energy: 0.4700703579911575
Energy: 0.6203668330429655
Energy: 0.5171874432008204
Energy: 0.7627653797955357
Energy: 0.5171874432017832
Energy: 0.6190304127916129
Energy: 0.521919621282257
Energy: 0.6201387710298284
Energy: 0.5219196212832198
Energy: 0.768440421006634
Energy: 0.46970380713792553
Energy: 0.556226871468878
Energy: 0.4697038071398513
Energy: 0.7691237440123404
Energy: 0.4684921874279262
Energy: 0.47029039209193896
Energy: 0.4684921874279262
Energy: 0.7642370465516941
Energy: 0.46967847084214026
Energy: 0.4755954419328642
Energy: 0.46967847084214026
Energy: 0.7642590318194199
Energy: 0.47137438400045784
Energy: 0.4692815384385203
Energy: 0.47137438400045784
Energy: 0.7624049258252109
Energy: 0.46975429162191706
Energy: 0.4684036887876467
Energy: 0.46975429162191706

minimum gb energy = 0.4684036887876467 eV
minimum distance =  2.60289585785599 Angstroms
sigma value = 25


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

Energy: 0.9552068020053208
Energy: 0.4228436185101755
Energy: 0.5874093988305739
Energy: 0.4228436197659917
Energy: 0.7618272869941771
Energy: 0.42094653252395486
Energy: 0.5422522198678088
Energy: 0.42094653252395486
Energy: 0.8596645108209321
Energy: 0.41989633842996416
Energy: 0.5440270051404036
Energy: 0.41989633843071605
Energy: 0.6626287287558357
Energy: 0.42143197371675895
Energy: 0.5414500769732995
Energy: 0.4214319737189804
Energy: 0.6692168531358099
Energy: 0.46243627625505795
Energy: 0.7682263271580153
Energy: 0.46243627625505795
Energy: 0.6629668400541308
Energy: 0.45978475025829263
Energy: 0.7636945253659274
Energy: 0.45978475025904453
Energy: 0.663922629519504
Energy: 0.46216692073152554
Energy: 0.6687773904481377
Energy: 0.4621669207300218
Energy: 0.5414030750567003
Energy: 0.42158585142518257
Energy: 0.7664907814988144
Energy: 0.4215858514244307
Energy: 0.5442929121009401
Energy: 0.4200145155191006
Energy: 0.7615672502783595
Energy: 0.4200145155175968
Energy: 0.5452048188686415
Energy: 0.4208826849501137
Energy: 0.761844463872872
Energy: 0.42088268495086567
Energy: 0.4205995608947197
Energy: 0.42101712073393766
Energy: 0.8091931604920939
Energy: 0.42101712073393766
Energy: 0.4232612971370718
Energy: 0.4211561364223301
Energy: 0.7623869107741243
Energy: 0.421156136423082
Energy: 0.4217174632912217
Energy: 0.42281058257027854
Energy: 0.6630987622846147
Energy: 0.4228105825695266
Energy: 0.4301079950499099
Energy: 0.42102274916602606
Energy: 0.8566538212730808
Energy: 0.4210227491667779
Energy: 0.5432239425204572
Energy: 0.4198096897209587
Energy: 0.6699098505291695
Energy: 0.4198096897232144
Energy: 0.5463494808198996
Energy: 0.4208903556146834
Energy: 0.8622614077677795
Energy: 0.4208903556131796
Energy: 0.669336120752028
Energy: 0.42180868437577634
Energy: 0.8665593621545177
Energy: 0.4218086843750244
Energy: 0.5422946306141644
Energy: 0.4630145631159426
Energy: 0.6690976055423514
Energy: 0.4630145631159426
Energy: 0.7615256966887054
Energy: 0.46022824827687986
Energy: 0.6638571040208573
Energy: 0.46022824827612796
Energy: 0.6696950489396614
Energy: 0.46020995942707876
Energy: 0.663008026496724
Energy: 0.46020995942783066
Energy: 0.8101114148933118
Energy: 0.42247823026395576
Energy: 0.5464662234509705
Energy: 0.42247823026170006
Energy: 0.7623265050249337
Energy: 0.41966379515188135
Energy: 0.4211153753162566
Energy: 0.41966379515188135
Energy: 0.7609100407727709
Energy: 0.4223934426180997
Energy: 0.5412792610046395
Energy: 0.4223934426188516
Energy: 0.7658093943790638
Energy: 0.42183362347732756
Energy: 0.42611634622809585
Energy: 0.42183362347732756
Energy: 0.6702219320996515
Energy: 0.4201493147110056
Energy: 0.4203220836370568
Energy: 0.4201493147125093
Energy: 0.8618810818160147
Energy: 0.42125891143229516
Energy: 0.4250000646491406
Energy: 0.4212589114307914

minimum gb energy = 0.41966379515188135 eV
minimum distance =  2.60564325802163 Angstroms
sigma value = 41


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

Energy: 1.058989219452344
Energy: 0.38598256648943635
Energy: 0.5591646609388569
Energy: 0.3859825663495648
Energy: 0.8418304832816735
Energy: 0.3844754754150169
Energy: 0.4838055824407441
Energy: 0.3844754754125512
Energy: 0.9259422486446915
Energy: 0.3834779266781584
Energy: 0.4861211024924647
Energy: 0.3834779266781584
Energy: 0.7655937771875513
Energy: 0.3858682166905394
Energy: 0.5935176047083338
Energy: 0.38586821668992294
Energy: 0.7649002289933157
Energy: 0.38273746324887564
Energy: 0.6736640597615048
Energy: 0.3827374632297666
Energy: 0.7605280238758816
Energy: 0.4994928276676529
Energy: 0.6743577457626356
Energy: 0.4994928276670365
Energy: 0.7638573965830361
Energy: 0.4181065907723877
Energy: 0.7651944635967999
Energy: 0.4181065907730041
Energy: 0.6798027804230529
Energy: 0.41740353393481144
Energy: 0.6736262639864578
Energy: 0.41740353392741436
Energy: 0.5830580779949491
Energy: 0.4985753859173984
Energy: 0.8430286186547322
Energy: 0.49857538591678197
Energy: 0.5847128199471342
Energy: 0.3828404293689361
Energy: 0.7666108512598805
Energy: 0.3828404293670868
Energy: 0.49238943360189225
Energy: 0.3878819549535169
Energy: 0.9328975315020975
Energy: 0.3878819549615304
Energy: 0.48222253389903486
Energy: 0.3827780281325863
Energy: 0.8420047756850354
Energy: 0.3827780281332028
Energy: 0.48426229204405147
Energy: 0.3861698063996126
Energy: 0.8419404581967478
Energy: 0.3861698063989962
Energy: 0.39094567573513894
Energy: 0.3857316447943124
Energy: 0.8501160851689372
Energy: 0.3857316447930796
Energy: 0.38377390951453844
Energy: 0.3837908998479391
Energy: 0.7645538886098465
Energy: 0.3837908998491719
Energy: 0.3881757043525284
Energy: 0.3851072108430256
Energy: 0.9279137304187064
Energy: 0.3851072108430256
Energy: 0.490020600753883
Energy: 0.3861289736118596
Energy: 0.9302174844289223
Energy: 0.386128973612476
Energy: 0.4810947843192588
Energy: 0.3829850987175619
Energy: 0.7628779766408245
Energy: 0.3829850987150963
Energy: 0.4851088821479168
Energy: 0.38550846145300055
Energy: 0.7623210939172324
Energy: 0.385508461453617
Energy: 0.6743852235574841
Energy: 0.38403067339831143
Energy: 0.761209432137981
Energy: 0.38403067339769503
Energy: 0.6925354807675481
Energy: 0.38615983908861906
Energy: 0.7628653559682256
Energy: 0.3861598390880026
Energy: 0.6742717647325291
Energy: 0.41645597761661346
Energy: 0.7654293598554024
Energy: 0.41645597761907915
Energy: 0.8436125659268229
Energy: 0.4159007622127636
Energy: 0.7584086474964898
Energy: 0.41590076221338
Energy: 0.6731444499767585
Energy: 0.4163753985685891
Energy: 0.6744281061952861
Energy: 0.4163753985685891
Energy: 0.8418350859891887
Energy: 0.3848088606767407
Energy: 0.5773971368961155
Energy: 0.3848088606767407
Energy: 0.8435228806789706
Energy: 0.3838915161342291
Energy: 0.672294729035728
Energy: 0.3838915161342291
Energy: 0.8469533717235946
Energy: 0.3857697248364982
Energy: 0.485563907783739
Energy: 0.3857697248383474
Energy: 0.764167141506479
Energy: 0.38318089242609565
Energy: 0.4802871811638514
Energy: 0.3831808924267121
Energy: 0.8464415606293005
Energy: 0.386959836326998
Energy: 0.4892738530648781
Energy: 0.38695983632761444
Energy: 0.8443483880815549
Energy: 0.38517942859626414
Energy: 0.3849149985103678
Energy: 0.3851794285944149
Energy: 0.7633351749291989
Energy: 0.38374760383803697
Energy: 0.38322679914108926
Energy: 0.3837476038368041
Energy: 0.9196541960516595
Energy: 0.3853470957934822
Energy: 0.39033167164847393
Energy: 0.38534709579163284

minimum gb energy = 0.3827374632297666 eV
minimum distance =  2.60791804327057 Angstroms
sigma value = 15


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

Energy: 0.9100256773220241
Energy: 0.360384250534771
Energy: 0.5374548855399897
Energy: 0.36038425046432215
Energy: 0.8971987740955832
Energy: 0.35596955757144977
Energy: 0.4436481547865155
Energy: 0.35596955756675003
Energy: 0.9714244287723846
Energy: 0.35587209435329104
Energy: 0.4421622608720507
Energy: 0.3558720943579908
Energy: 0.8364896939533254
Energy: 0.3580873468830136
Energy: 0.6113420607196898
Energy: 0.3580873468866688
Energy: 0.8302208471570773
Energy: 0.35400870634016096
Energy: 0.603092220994411
Energy: 0.3540087061997379
Energy: 0.8294300256940296
Energy: 0.3605785488887524
Energy: 0.6047702412828825
Energy: 0.36057854885167656
Energy: 0.683150472185685
Energy: 0.3582589489160243
Energy: 0.7548531953046078
Energy: 0.3582589487771677
Energy: 0.7592369660086895
Energy: 0.3856492692205138
Energy: 0.6019962123947276
Energy: 0.385649269203851
Energy: 0.6818274768683893
Energy: 0.554004544131104
Energy: 0.7535858104643922
Energy: 0.5540045441295374
Energy: 0.6801968124325439
Energy: 0.46405203853146076
Energy: 0.832926421705978
Energy: 0.4640520385236278
Energy: 0.6108941014548438
Energy: 0.35691195811798815
Energy: 0.8081632382502096
Energy: 0.3569119581806041
Energy: 0.5198163176443749
Energy: 0.36074762658197246
Energy: 0.8974108805570779
Energy: 0.36074762657883924
Energy: 0.6045474172421572
Energy: 0.35466146800394416
Energy: 0.8993607584695132
Energy: 0.3546614680023776
Energy: 0.44801455577235416
Energy: 0.3580352033022708
Energy: 0.7602789208505837
Energy: 0.3580352033012264
Energy: 0.43672955402283203
Energy: 0.35509669922290044
Energy: 0.830448539615736
Energy: 0.3550966992234227
Energy: 0.44468747687359916
Energy: 0.3568174652417866
Energy: 0.9004214136403921
Energy: 0.3568174652417866
Energy: 0.361080432030768
Energy: 0.3563511689992248
Energy: 0.9040362901814317
Energy: 0.356351168997136
Energy: 0.3554770224786556
Energy: 0.3547991974786128
Energy: 0.8300625686155574
Energy: 0.3547991974775684
Energy: 0.3589507926112238
Energy: 0.3579805688427342
Energy: 0.8312379160406549
Energy: 0.35798056884534524
Energy: 0.446213811124663
Energy: 0.3580633891709545
Energy: 0.9741413782143514
Energy: 0.3580633891683435
Energy: 0.43546025554066137
Energy: 0.35462156544226026
Energy: 0.8298352837169893
Energy: 0.35462156543860485
Energy: 0.44686695957593775
Energy: 0.3575718704982435
Energy: 0.8338112949005221
Energy: 0.3575718704977213
Energy: 0.6046123207388473
Energy: 0.35474596637125166
Energy: 0.8267632202412445
Energy: 0.3547459663764736
Energy: 0.6018071462786899
Energy: 0.3601904590815215
Energy: 0.8980721082718194
Energy: 0.3601904590815215
Energy: 0.6102408633683084
Energy: 0.35716050982341124
Energy: 0.704624090415754
Energy: 0.3571605098088373
Energy: 0.755406045527346
Energy: 0.4649556576364731
Energy: 0.833956930891116
Energy: 0.4649556576338621
Energy: 0.6023700523191431
Energy: 0.3833381933672002
Energy: 0.7541265444351645
Energy: 0.38333819336515884
Energy: 0.7588945457882842
Energy: 0.3855894399937312
Energy: 0.6879506283261136
Energy: 0.3855894399926868
Energy: 0.7565674064033956
Energy: 0.35682470301914376
Energy: 0.7552407713656005
Energy: 0.3568247024527992
Energy: 0.755668571736052
Energy: 0.36104888854618694
Energy: 0.604675906056368
Energy: 0.361048888659978
Energy: 0.8292418229005075
Energy: 0.35430178502092224
Energy: 0.5198248371882188
Energy: 0.35430178502614423
Energy: 0.7608620901504939
Energy: 0.357363704461452
Energy: 0.6101461497626446
Energy: 0.3573637044609298
Energy: 0.8995867303625863
Energy: 0.35610361277214203
Energy: 0.44252520791112643
Energy: 0.3561036127731864
Energy: 0.8966560522424366
Energy: 0.3556356564695367
Energy: 0.4401405555239821
Energy: 0.3556356564684924
Energy: 0.9084762436871878
Energy: 0.3573152338920647
Energy: 0.3634114827217022
Energy: 0.35731523389467573
Energy: 0.8970658646226032
Energy: 0.3575931336446042
Energy: 0.35830121584147895
Energy: 0.35759313364512635
Energy: 0.969060439445867
Energy: 0.3585675978175732
Energy: 0.35658159022206093
Energy: 0.35856759781809544

minimum gb energy = 0.3540087061997379 eV
minimum distance =  2.61180271683902 Angstroms
sigma value = 85


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

Energy: 0.974831752546802
Energy: 0.32136123697196967
Energy: 0.3218803568040197
Energy: 0.3213612369746871
Energy: 0.8678849532127617
Energy: 0.319578672423987
Energy: 0.3915634089395516
Energy: 0.31957867242308124
Energy: 0.8645584843696019
Energy: 0.3192768537571752
Energy: 0.3931726993532717
Energy: 0.3192768537576281
Energy: 0.7329814275304241
Energy: 0.32122133660390134
Energy: 0.5373382738092869
Energy: 0.32122133660390134
Energy: 0.867280140713672
Energy: 0.31848976402440776
Energy: 0.5357482983516088
Energy: 0.31848976402395485
Energy: 0.7354231416556153
Energy: 0.31905661673399965
Energy: 0.5391393845750393
Energy: 0.31905661673399965
Energy: 0.7390849822340393
Energy: 0.3191028621736989
Energy: 0.6746499243823069
Energy: 0.3191028621759633
Energy: 0.8053582378694418
Energy: 0.31950710428284484
Energy: 0.5333974486338814
Energy: 0.31950710428284484
Energy: 0.7382371040534926
Energy: 0.3187143344706628
Energy: 0.6713208091488078
Energy: 0.3187143279572057
Energy: 0.7379374834999856
Energy: 0.5067833922334279
Energy: 0.7994206574124778
Energy: 0.5067833922334279
Energy: 0.6768946787106686
Energy: 0.4282199139515128
Energy: 0.7063722637804254
Energy: 0.4282199139510599
Energy: 0.6082135273068747
Energy: 0.3192941915391886
Energy: 0.8000409517548626
Energy: 0.3192941913898136
Energy: 0.6707606106187738
Energy: 0.3198558088976946
Energy: 0.800106232722976
Energy: 0.31985580890267656
Energy: 0.537773744876284
Energy: 0.31957602799748824
Energy: 0.668885701854869
Energy: 0.31957602799703533
Energy: 0.4578255270635171
Energy: 0.3184372480660218
Energy: 0.866476245528684
Energy: 0.318437248060587
Energy: 0.5410434202256492
Energy: 0.31959412641763985
Energy: 0.8014444355710557
Energy: 0.3195941264158283
Energy: 0.3985693967554945
Energy: 0.32005605430885753
Energy: 0.7989214640702426
Energy: 0.32005605430840467
Energy: 0.38880944299086706
Energy: 0.31846927078967907
Energy: 0.8664882766385376
Energy: 0.3184692707883203
Energy: 0.39345545557008293
Energy: 0.3201481376891072
Energy: 0.8640691590356924
Energy: 0.3201481376891072
Energy: 0.3223774168655385
Energy: 0.32212531669449146
Energy: 0.8658117620222735
Energy: 0.32212531669539723
Energy: 0.31914137816430843
Energy: 0.31877299352174243
Energy: 0.8674677999438164
Energy: 0.3187729935212895
Energy: 0.3217875127032655
Energy: 0.32021692958206543
Energy: 0.8618706873843213
Energy: 0.32021692955898806
Energy: 0.3968415781655307
Energy: 0.32005163136121434
Energy: 0.8628986914798745
Energy: 0.32005163136166725
Energy: 0.3905405063403471
Energy: 0.31843200680853095
Energy: 0.867715670674223
Energy: 0.31843200680807804
Energy: 0.39341530754657383
Energy: 0.3204669229109017
Energy: 0.7339537358773162
Energy: 0.3204669229136191
Energy: 0.5383864712281567
Energy: 0.318688785214198
Energy: 0.8651766785135656
Energy: 0.31868878521555677
Energy: 0.5364758939323719
Energy: 0.3185624133953203
Energy: 0.863675649958346
Energy: 0.31856241305669447
Energy: 0.5381433259779492
Energy: 0.32017821229484456
Energy: 0.7342758586104804
Energy: 0.32017821227310533
Energy: 0.6740259516604615
Energy: 0.3188549298408142
Energy: 0.8681714083688642
Energy: 0.3188549298421729
Energy: 0.6717022616355776
Energy: 0.504827267636325
Energy: 0.7354238220381581
Energy: 0.5048272676367781
Energy: 0.7424536700102914
Energy: 0.3667248664134974
Energy: 0.6068473158876149
Energy: 0.36672486635645246
Energy: 0.6746598569076725
Energy: 0.36628569536780137
Energy: 0.740800216912739
Energy: 0.36628569529220806
Energy: 0.8006654511187851
Energy: 0.504635423549688
Energy: 0.604800024288877
Energy: 0.5046354235492353
Energy: 0.8689185621213943
Energy: 0.3198169228792537
Energy: 0.6055589483096798
Energy: 0.3198169228810653
Energy: 0.668720922647637
Energy: 0.3193617846937206
Energy: 0.537592124794438
Energy: 0.3193617846941735
Energy: 0.9267187690760501
Energy: 0.320053489947324
Energy: 0.5357613705064416
Energy: 0.320053489947324
Energy: 0.9267119159715794
Energy: 0.3189304638584429
Energy: 0.5383756371921742
Energy: 0.3189304638602546
Energy: 0.7987671510984463
Energy: 0.32185008301305423
Energy: 0.39386144653766564
Energy: 0.32185008301214846
Energy: 0.8677263391795749
Energy: 0.3185018181617434
Energy: 0.3901066429364924
Energy: 0.3185018181617434
Energy: 0.864479507364682
Energy: 0.32031166220553925
Energy: 0.3969931955933368
Energy: 0.3203116622050864
Energy: 0.797986288152207
Energy: 0.3195404748222021
Energy: 0.3182937003854613
Energy: 0.31954047485750775
Energy: 0.8669477608204427
Energy: 0.318749331093983
Energy: 0.3188006712621877
Energy: 0.3187493310944359
Energy: 0.8618047584274892
Energy: 0.31977771296036855
Energy: 0.32102176455529563
Energy: 0.31977771296036855

minimum gb energy = 0.3182937003854613 eV
minimum distance =  2.61145303503638 Angstroms
sigma value = 113


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

Energy: 0.01346367794766649
Energy: 0.2597321108087408
Energy: 0.7481723579163558
Energy: 0.25973211080839265
Energy: 0.55311002917036
Energy: 0.07083050755210024
Energy: 0.5536007849624004
Energy: 0.07083050755244841
Energy: 0.013954843070337512
Energy: 0.06962235639531297
Energy: 0.5528044493140438
Energy: 0.06962235639598997
Energy: 0.014827453131274114
Energy: 0.07186169970670951
Energy: 0.5537135242202121
Energy: 0.07186169970978497
Energy: 0.5547857312078436
Energy: 0.07081144059165438
Energy: 0.5553384521328885
Energy: 0.07081144059165438
Energy: 0.013968973921100728
Energy: 0.06951719209294852
Energy: 0.5525873658014129
Energy: 0.06951719209397368

minimum gb energy = 0.01346367794766649 eV
minimum distance =  2.84949525376384 Angstroms
sigma value = 1