Model name: model_name=EAM_Dynamo_MendelevKramerOtt_2009_CuZr__MO_600021860456_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.639085099101067
cohesive_energy=3.2833744382290693
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.6525650891392998e-19, 2.0798976409597799e-19, 2.4851361769973997e-19, 2.83413831318162e-19, 3.1394971578556796e-19, 3.3924007395325803e-19, 3.60683606022714e-19, 3.8026060231356e-19, 3.9913904959198197e-19, 4.17573693942786e-19, 4.35237691332636e-19, 4.51512601580808e-19, 4.65839265042036e-19, 4.77964537808148e-19, 4.88035820129472e-19, 4.96532162819574e-19, 5.03874938333196e-19, 5.1016187944501195e-19, 5.1534812520927e-19, 5.19412847329728e-19, 5.224121219885759e-19, 5.2444848849039e-19, 5.256292926696479e-19, 5.260138150618079e-19, 5.25630894846282e-19, 5.24353960068984e-19, 5.21713572976152e-19, 5.1724029581402395e-19, 5.105624236035119e-19, 5.01306649188894e-19, 4.89117289357422e-19, 4.73717167551414e-19, 4.54998937936392e-19, 4.3300425710483994e-19, 4.07683457581104e-19, 3.7877698675047594e-19, 3.45722480614422e-19, 3.0754100924956794e-19, 2.62777796272242e-19, 2.0922664445742599e-19, 1.4343870838277158e-19, 6.110493399113579e-20, -4.4746390122669e-20, -1.89358052019192e-19, -4.0485401364545996e-19, -7.605612590429699e-19, -1.415377258065306e-18, -2.74755668788026e-18, -5.5916445179590196e-18, -1.1628261552478859e-17, -2.5767326151631798e-17, -6.40369172313558e-17, -1.9111243543342197e-16]
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: 0.012495500545313782
Energy: 0.013332508171045294
Energy: 0.01294558060452639
Energy: 0.012697934361182075
Energy: 0.5606162869180109
Energy: 0.01290904262162585
Energy: 0.013332508171045294
Energy: 0.10654995086446539
Energy: 0.10649224739171347
Energy: 0.1064392724941938
Energy: 0.1065489625165103
Energy: 0.1065652529032349
Energy: 0.01294558060452639
Energy: 0.10649224739291696
Energy: 0.10763534166918978
Energy: 0.012984919453353177
Energy: 0.10649641146698133
Energy: 0.10706826351246689
Energy: 0.012697934363004513
Energy: 0.10643927249481275
Energy: 0.012984919453353177
Energy: 0.012732753043407919
Energy: 0.10661302505315422
Energy: 0.012810076774029015
Energy: 0.5606162869146756
Energy: 0.10654896251410331
Energy: 0.10649641146636239
Energy: 0.1066130250522602
Energy: 0.10638038381784506
Energy: 0.10658159580989421
Energy: 0.01290904262162585
Energy: 0.1065652529032349
Energy: 0.10706826351064445
Energy: 0.012810076774338486
Energy: 0.10658159581078824
Energy: 0.012686913317821949

minimum gb energy = 0.012495500545313782 eV
minimum distance =  2.57027128609405 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.3110635504046695
Energy: 0.8725664772395654
Energy: 0.9028498595678648
Energy: 0.8769195546325006
Energy: 0.9090561744747261
Energy: 0.9030342309963801
Energy: 1.3121813307342238
Energy: 0.8366765268454239
Energy: 0.8356056843562207
Energy: 0.8261720996019233
Energy: 0.8233945488170317
Energy: 0.836674056462621
Energy: 1.3251963829984017
Energy: 0.8663717254284188
Energy: 0.8545229753417247
Energy: 0.8492777948619004
Energy: 0.8711572463037982
Energy: 0.8381719138334165
Energy: 1.3255614659622381
Energy: 0.849441768556882
Energy: 0.8483595482624375
Energy: 0.8451556497552267
Energy: 0.8708140335767502
Energy: 0.8472158217865353
Energy: 1.3414470481323193
Energy: 0.8373952503464928
Energy: 0.8362015388407308
Energy: 0.8357828464937598
Energy: 0.85417839475917
Energy: 0.8359383648960859
Energy: 1.2096951011026111
Energy: 0.8536076876279414
Energy: 0.8509231656004674
Energy: 0.8476884641961749
Energy: 0.854059995103674
Energy: 0.8510822408376914
Energy: 1.2101782473950917
Energy: 0.8467280782039575
Energy: 0.8475456540780432
Energy: 0.8477567744693951
Energy: 0.8463556719928035
Energy: 0.8525008151783217
Energy: 1.2485346692509447
Energy: 0.849295831816357
Energy: 0.8491479775019919
Energy: 0.8549298768696464
Energy: 0.8484548630089838
Energy: 0.8528263534727575
Energy: 0.9343986110665771
Energy: 0.8484476523038521
Energy: 0.8476378970035003
Energy: 0.8536922001876129
Energy: 0.849290627742497
Energy: 0.858492690952933
Energy: 0.9335473676906051
Energy: 0.8384906078384372
Energy: 0.8373540712677895
Energy: 0.8536773309688278
Energy: 0.8360287327959272
Energy: 0.837509685332267
Energy: 0.9914426573732787
Energy: 0.8242529849810513
Energy: 0.8257902969302194
Energy: 0.9027167441700268
Energy: 0.822436930072404
Energy: 0.8544838780665956
Energy: 0.8857599158119276
Energy: 0.8362210358855738
Energy: 0.8476892876357882
Energy: 0.8478959904726118
Energy: 0.8502643249846141
Energy: 0.8471208399740388
Energy: 0.884732901378052
Energy: 0.8352547011367062
Energy: 0.8356193140295334
Energy: 0.8495672730302927
Energy: 0.8356247215008413
Energy: 0.8353231366700317
Energy: 0.8931587391091934
Energy: 0.8438436164894454
Energy: 0.8439660523069915
Energy: 0.8731281337376442
Energy: 0.8437514134173798
Energy: 0.8489859925333875
Energy: 0.8930886384233433
Energy: 0.8361928073312997
Energy: 0.8353872452983532
Energy: 0.8704253422963939
Energy: 0.8377128004510588
Energy: 0.8375569749088347
Energy: 0.8932827939041259
Energy: 0.8498857603483386
Energy: 0.8605189987097405
Energy: 0.8710053613329527
Energy: 0.8496754639803235
Energy: 0.8611214620081761
Energy: 1.1054577759431883
Energy: 0.8507870317411607
Energy: 0.8476915167257086
Energy: 0.8604931262096978
Energy: 0.8496184511664753
Energy: 0.8530436870241689
Energy: 1.0476577902394806
Energy: 0.8506138603780978
Energy: 0.8501696478936891
Energy: 0.8503622603972126
Energy: 0.851888981872449
Energy: 0.8499205213648701
Energy: 1.0471527793609758
Energy: 0.8505897835297038
Energy: 0.8500186525308442
Energy: 0.8491745071291462
Energy: 0.8500403500212038
Energy: 0.8494863795312755
Energy: 1.327020664090455
Energy: 0.8503871591550579
Energy: 0.8508679268087719
Energy: 0.8490932416546321
Energy: 0.8504065598802437
Energy: 0.8498285195344809
Energy: 1.3146366142897352
Energy: 0.8530576686610385
Energy: 0.8397159056057155
Energy: 0.8241073569876194
Energy: 0.8632593612271441
Energy: 0.8397303207401808
Energy: 1.2849912676744968
Energy: 0.8718924465021699
Energy: 0.8592526660004569
Energy: 0.8489883829911072
Energy: 0.869877173896385
Energy: 0.8516016384053241
Energy: 1.3122720786579642
Energy: 0.8361776445809684
Energy: 0.8355310342257573
Energy: 0.8224618161173756
Energy: 0.8319311414001861
Energy: 0.836468092818729

minimum gb energy = 0.822436930072404 eV
minimum distance =  2.36846368843978 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.609659716150505
Energy: 0.9859527959615237
Energy: 0.9080891821347555
Energy: 0.9043765811039658
Energy: 0.8793350235683065
Energy: 0.9856975076633296
Energy: 0.9414352859402279
Energy: 0.8868079225054141
Energy: 0.8699755996996231
Energy: 0.8683830278016906
Energy: 0.8685582395829808
Energy: 0.8803945110009784
Energy: 1.3020369201363329
Energy: 0.8710489105630084
Energy: 0.8864257771995934
Energy: 0.9392663482816812
Energy: 0.8866579563077022
Energy: 0.9323003007739098
Energy: 1.3345917532756124
Energy: 1.0184376798404688
Energy: 0.8983652861122811
Energy: 0.9326076512907129
Energy: 0.9474495832232787
Energy: 0.9324046974800405
Energy: 1.0211546759170969
Energy: 1.0241474547533531
Energy: 0.8892050953177838
Energy: 0.879329514650555
Energy: 1.0423100059254364
Energy: 1.0233937776069648
Energy: 1.028567125207346
Energy: 1.0432978968950384
Energy: 1.0329514307414032
Energy: 1.0313059443704062
Energy: 1.0472673923841813
Energy: 1.0325705006563581
Energy: 1.02841110913773
Energy: 1.0380758297277262
Energy: 1.0360406774003201
Energy: 1.0327883208194188
Energy: 0.9268975203993522
Energy: 0.9142773480883338
Energy: 1.0622795664750904
Energy: 0.9427723765070259
Energy: 0.9426386246215842
Energy: 1.03447379086653
Energy: 0.9429309646039085
Energy: 0.942527550264212
Energy: 0.9876055680986802
Energy: 0.9416395515321552
Energy: 1.0313356106724063
Energy: 0.9289619525643923
Energy: 0.9416240944251404
Energy: 0.9227050995740881
Energy: 0.9926417078764369
Energy: 0.9289526598596249
Energy: 0.9237587974477028
Energy: 0.9138690239137623
Energy: 0.915919591486256
Energy: 0.9203490325795329
Energy: 0.987599136902352
Energy: 0.900829812030494
Energy: 0.9012232390461117
Energy: 0.9510494909388564
Energy: 0.8530039942616097
Energy: 0.8530355503843965
Energy: 0.9276944366199716
Energy: 0.9174719101319914
Energy: 0.9268741162595022
Energy: 0.9274145704765946
Energy: 0.8638518360027021
Energy: 0.9115167992724523
Energy: 0.9251597377648945
Energy: 1.0236746076412768
Energy: 1.0242824018136145
Energy: 0.9257607583090072
Energy: 0.9244497295851616
Energy: 0.9188566065292318
Energy: 1.0009608141825812
Energy: 0.9321296433027796
Energy: 0.9321949088837757
Energy: 1.0360526616925887
Energy: 0.9324519413761414
Energy: 0.932246323107913
Energy: 1.0419416213805273
Energy: 1.0265907912417176
Energy: 1.0268327874407654
Energy: 1.036894814174998
Energy: 0.9321232136679597
Energy: 0.9323477707237018
Energy: 1.0436644822287056
Energy: 1.0372586015069045
Energy: 1.0345314032832098
Energy: 1.0456714926831514
Energy: 1.0356671483078272
Energy: 1.0372607260306155
Energy: 1.1058117248861012
Energy: 0.931322528347855
Energy: 1.0357474984947568
Energy: 1.0437239946312298
Energy: 1.0382580498274159
Energy: 0.9219396766797633
Energy: 1.0656752571445152
Energy: 0.9328075098055558
Energy: 1.0288783398928263
Energy: 0.9427170898219005
Energy: 1.0303051310815594
Energy: 0.9430607060570207
Energy: 1.0664305474620952
Energy: 0.9232005832946893
Energy: 0.9286253999205895
Energy: 0.942892114657621
Energy: 0.9287316632787264
Energy: 0.9227753505803195
Energy: 0.8990663462671487
Energy: 0.921104223350747
Energy: 0.9382792326078035
Energy: 1.0295437229099176
Energy: 0.9382788776856891
Energy: 0.9176333075505487
Energy: 1.4550141418072422
Energy: 0.9122967411701236
Energy: 0.9008679979883092
Energy: 0.8785481889275775
Energy: 0.9248631514092573
Energy: 0.8525587621286954
Energy: 0.849020429617365
Energy: 0.9121383974376948
Energy: 0.9266212271956519
Energy: 0.9169885579713636
Energy: 0.9337404473385442
Energy: 0.9208080965976387
Energy: 0.9402681519251728
Energy: 0.9125391836652522
Energy: 0.9373356539514741
Energy: 1.0242562808677775
Energy: 0.9324958990653643
Energy: 0.9175326062213986
Energy: 1.3339516328072951
Energy: 0.9989252926644308
Energy: 1.0212159056968584
Energy: 0.9325807783037143
Energy: 1.0231680012819577
Energy: 0.9328427325557818
Energy: 0.9196047062653645
Energy: 0.9389530114674854
Energy: 1.0247866706321886
Energy: 1.0243542418182052
Energy: 1.0253514088860736
Energy: 0.9265223103030048
Energy: 1.038203261132932
Energy: 0.9407649869468475
Energy: 1.0361971286890843
Energy: 1.0369790322378096
Energy: 1.0481170419376642
Energy: 0.9846518967931753
Energy: 1.037131678395491
Energy: 0.9191067463312733
Energy: 0.9036288594860382
Energy: 1.0361396340660525
Energy: 1.0338100161589538
Energy: 1.0371191004961409
Energy: 1.0379577122405044
Energy: 0.9427587891734933
Energy: 0.9430045987611907
Energy: 1.0264783010448837
Energy: 0.9425113437296307
Energy: 1.030541064887092
Energy: 0.9870416599268574
Energy: 0.942700519227542
Energy: 0.9425060831731669
Energy: 0.9412066077769722
Energy: 0.942541790146776
Energy: 0.9342020934922732
Energy: 0.9906249203434213
Energy: 0.9183194954808279
Energy: 0.9179347072199494
Energy: 0.9327668291536545
Energy: 1.0243078769347518
Energy: 0.9322602677907197
Energy: 1.1237974916868525
Energy: 0.8525617483110032
Energy: 0.8522946768220697
Energy: 0.9277395158880845
Energy: 0.890162332159284
Energy: 0.8999954413055631
Energy: 0.9297601526960514
Energy: 0.8631293523826454
Energy: 0.8580142023333271
Energy: 0.9298238346515587
Energy: 0.917128183917698
Energy: 0.9238366166497114
Energy: 0.9149478015145299
Energy: 0.9150975070758303
Energy: 0.9155169333306986
Energy: 0.9298048937832538
Energy: 1.0234975634420602
Energy: 0.930142658616647
Energy: 0.93860140934768
Energy: 0.9321239426887956
Energy: 0.9318922281795181
Energy: 0.9388971694266081
Energy: 0.9329532609609651
Energy: 0.9316207590777322
Energy: 1.0328250649979294
Energy: 0.9283684009995734
Energy: 0.9271374430597569
Energy: 1.0216291611182053
Energy: 1.0204778052701449
Energy: 1.0219203992775814
Energy: 1.0650176770449615
Energy: 1.0304932816429138
Energy: 0.9254307393115837
Energy: 1.0520921245315644
Energy: 1.0427442914136125
Energy: 1.0358216668762747
Energy: 1.0329883636205524
Energy: 1.035102212892469
Energy: 0.8509654125606118
Energy: 0.8609018168390257
Energy: 0.874503237984533
Energy: 1.0394406038186539
Energy: 0.9603737785644032
Energy: 1.0269205939054522
Energy: 0.8733704081318845
Energy: 0.9423731774684843
Energy: 1.0392316077291028
Energy: 1.026074674431428
Energy: 1.070977285552109
Energy: 0.887432263533779
Energy: 0.8738763355776504
Energy: 0.9430512489261
Energy: 0.8763967167642238
Energy: 0.943106667601934
Energy: 1.0384318913962716
Energy: 0.8939654376161799
Energy: 0.8758316948107292
Energy: 0.8679325668091051
Energy: 0.8677754451124587
Energy: 0.8851105082520917
Energy: 0.9658177689475669
Energy: 0.8812154486161851
Energy: 0.8525535832893296
Energy: 0.8629276748751954
Energy: 0.8813966959765596
Energy: 0.9233284594295754

minimum gb energy = 0.849020429617365 eV
minimum distance =  2.31224584691849 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.3619806982514862
Energy: 0.986688260691676
Energy: 0.9871191680650175
Energy: 0.9075851897405901
Energy: 1.004328715557785
Energy: 0.9065867786329331
Energy: 1.281148013196959
Energy: 0.8989724595985471
Energy: 0.8969862155505903
Energy: 0.85666536897118
Energy: 0.8990084620971398
Energy: 0.8954998997594542
Energy: 1.2343014900955978
Energy: 0.8990721890428888
Energy: 0.8913836444985798
Energy: 0.8821299809948159
Energy: 0.899484030483212
Energy: 0.882775956050698
Energy: 1.229658288687787
Energy: 0.8991917334640162
Energy: 0.8878274330581964
Energy: 0.8768790109425798
Energy: 0.8989638639744386
Energy: 0.8771041177053372
Energy: 1.138307725606693
Energy: 0.9023084113784811
Energy: 0.9025562199429545
Energy: 0.9170401512066844
Energy: 0.9022117800747865
Energy: 0.8578140856687466
Energy: 1.0186908167106707
Energy: 0.901679357223566
Energy: 0.9023749915168217
Energy: 0.902065088062178
Energy: 0.9017194452720397
Energy: 0.9011160722064527
Energy: 1.0188767949640802
Energy: 0.8560377175550156
Energy: 0.8564910375593684
Energy: 0.900960729059158
Energy: 0.8560187518026762
Energy: 0.901733654461384
Energy: 1.0174212237634959
Energy: 0.8586633875378348
Energy: 0.8585570574595318
Energy: 0.8983883946585711
Energy: 0.8583553187335939
Energy: 0.8580412793889985
Energy: 0.8986036174416268
Energy: 0.8581187394477134
Energy: 0.857971424234251
Energy: 0.8984586259200038
Energy: 0.858446321205855
Energy: 0.881911864328274
Energy: 0.8986153670820345
Energy: 0.8730031351852668
Energy: 0.8811885629295692
Energy: 0.8987274617556689
Energy: 0.8730564742833448
Energy: 0.8957788195181794
Energy: 0.8996746169249135
Energy: 0.8865186644364721
Energy: 0.8869851475957096
Energy: 0.8997428142304502
Energy: 0.8837807199085135
Energy: 0.8868005550514417
Energy: 0.912137201189966
Energy: 0.8725343887699726
Energy: 0.8734111028968224
Energy: 0.8748441966176765
Energy: 0.8663858914311264
Energy: 0.8955715622126339
Energy: 0.9115963010946724
Energy: 0.8749295923967709
Energy: 0.8742493277340609
Energy: 0.8888941045743468
Energy: 0.8839461994097618
Energy: 0.8893771446244388
Energy: 0.912087453735973
Energy: 0.8785803677930071
Energy: 0.879109679024312
Energy: 0.9078600957305775
Energy: 0.8785427140179753
Energy: 0.8792227118965612
Energy: 1.0934019581148735
Energy: 0.891425661612
Energy: 0.8917657423967442
Energy: 0.8908896244732092
Energy: 0.8925373404923544
Energy: 0.8803936985567519
Energy: 1.0933134975880372
Energy: 0.8914414972732805
Energy: 0.8915131339426232
Energy: 0.898556399636478
Energy: 0.8915971483872467
Energy: 0.8909988704780806
Energy: 1.1390077732251356
Energy: 0.8924519662343003
Energy: 0.8912554852423009
Energy: 0.90123726693254
Energy: 0.892315450218864
Energy: 0.8710434678659446
Energy: 1.3651284812309787
Energy: 0.8994706241387522
Energy: 0.9080245004377318
Energy: 0.8587178840452004
Energy: 0.8993274500524627
Energy: 0.8105377275716882

minimum gb energy = 0.8105377275716882 eV
minimum distance =  2.35170850797616 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.2816730489007524
Energy: 0.9217676785199734
Energy: 0.8301208839151623
Energy: 0.9600346736204207
Energy: 0.8284252705213441
Energy: 0.9218860172482346
Energy: 0.9279069783524662
Energy: 0.8574079162025465
Energy: 0.841402210509368
Energy: 0.865701303515787
Energy: 0.8575484238839024
Energy: 0.8575990353958486
Energy: 0.8592081480168648
Energy: 0.8469350793348912
Energy: 0.8788932513711512
Energy: 0.9002029059383633
Energy: 0.8793570998352827
Energy: 0.8577562191667637
Energy: 1.0516179310538276
Energy: 0.9791540105990937
Energy: 0.9953141240982797
Energy: 0.9158544477522598
Energy: 0.9115934155236406
Energy: 0.9121006223277983
Energy: 0.8699811650483552
Energy: 0.9795355330117808
Energy: 0.9415829543003534
Energy: 0.8746206025691503
Energy: 0.9293369520232886
Energy: 0.95242740778439
Energy: 0.9437448151467654
Energy: 0.8765732582700426
Energy: 0.9504890474655969
Energy: 0.9506217282279045
Energy: 0.8767982493821662
Energy: 0.9501763129195566
Energy: 1.0188593244008346
Energy: 0.9636807380052999
Energy: 0.9544193411149403
Energy: 0.9551602546352119
Energy: 0.8928893200305815
Energy: 0.9440580044219756
Energy: 1.0146685271844107
Energy: 0.8263376803126034
Energy: 0.8263368137572803
Energy: 0.9275125897422762
Energy: 0.7855592176871291
Energy: 0.7855564301003493
Energy: 0.9182300499815639
Energy: 0.8305010775078019
Energy: 0.8262562022246952
Energy: 0.9194105258386295
Energy: 0.7856500970519604
Energy: 0.7854996864998245
Energy: 0.9183056372846207
Energy: 0.9197991935527535
Energy: 0.9198598157722134
Energy: 0.9058596038078587
Energy: 0.9227586280405153
Energy: 0.9217549556342675
Energy: 0.928883762920885
Energy: 0.9110987148286078
Energy: 0.9137171609326898
Energy: 0.9287039003281549
Energy: 0.913765408713918
Energy: 0.9291378367494446
Energy: 0.9673636027292902
Energy: 1.0106470563893195
Energy: 1.0127836752731838
Energy: 0.9953520778913588
Energy: 0.9664286779019421
Energy: 0.9418055576184482
Energy: 0.8748008025503685
Energy: 1.004615856233385
Energy: 1.0036382339865104
Energy: 0.8757137223182797
Energy: 1.0045553688232158
Energy: 1.0051424900932726
Energy: 0.9673962804731616
Energy: 0.9948155465868445
Energy: 0.9945801320068189
Energy: 1.0087078969740328
Energy: 0.9950410255451677
Energy: 0.9943976496418729
Energy: 1.0885498346783415
Energy: 0.9774949247068848
Energy: 0.9774705014151079
Energy: 0.7855194908251828
Energy: 0.9777073352924945
Energy: 0.785737047202027
Energy: 1.1434296423922206
Energy: 0.9038063289585223
Energy: 0.7820449016870493
Energy: 0.7858248388306727
Energy: 0.9339064328760398
Energy: 0.7855384552593193
Energy: 1.0494702858029354
Energy: 0.9777200907117237
Energy: 0.9778129926413732
Energy: 0.9779416074156512
Energy: 0.9771134009245566
Energy: 0.9775062223151895
Energy: 1.051598112100735
Energy: 0.9774543116752096
Energy: 0.977661494007066
Energy: 0.9162623351381748
Energy: 0.977275255187852
Energy: 0.9774618127510905
Energy: 1.0515505441343738
Energy: 0.9191414535882328
Energy: 0.9433753784323013
Energy: 0.93486178373097
Energy: 0.9975113265390404
Energy: 1.0172822062512221
Energy: 1.0139877323857756
Energy: 0.87665352880378
Energy: 0.9418166748956547
Energy: 1.0220813351576248
Energy: 0.8768820961356885
Energy: 1.0204764909131712
Energy: 0.9456183883312953
Energy: 0.9421592445168615
Energy: 0.9473244033385
Energy: 0.9670191455673346
Energy: 1.025120207834601
Energy: 0.9659499741193719
Energy: 0.9461580536936223
Energy: 0.9273048206339259
Energy: 0.9275719693149416
Energy: 0.9462531716236225
Energy: 1.0074874441298765
Energy: 0.9453334063794747
Energy: 0.9951492832188563
Energy: 0.7855493669569986
Energy: 0.7819780479912609
Energy: 0.9682768437546929
Energy: 0.8259898578131936
Energy: 0.8266154380377441
Energy: 0.9258455598019124
Energy: 0.9331124361686901
Energy: 0.9335608814985317
Energy: 0.9276501316361715
Energy: 0.8790925700792287
Energy: 0.9277243514280297
Energy: 0.9331082019342372
Energy: 0.948340546222636
Energy: 0.9304250805810118
Energy: 0.9257988405948306
Energy: 0.9530008684954175
Energy: 0.9260741901751656
Energy: 1.1122956528404073
Energy: 0.9156942854782949
Energy: 0.91569825847618
Energy: 0.8278827222765227
Energy: 0.9161148990639958
Energy: 0.9925428826702005
Energy: 0.8594594527974124
Energy: 0.9651308162897483
Energy: 0.9573208674930619
Energy: 0.8358144530571403
Energy: 1.0231186020077943
Energy: 1.0208046045447488
Energy: 0.8749339270584852
Energy: 0.8830539500435401
Energy: 0.8762164978984734
Energy: 0.8757389061080442
Energy: 0.875266351142214
Energy: 0.8833261407955242
Energy: 0.9221590226787987
Energy: 0.8938170323334054
Energy: 0.8748439959439959
Energy: 0.8224705230694558
Energy: 0.8934883100175078
Energy: 0.8937200776825817
Energy: 0.9896523582094386
Energy: 0.8573902989253113
Energy: 0.7855881461759587
Energy: 0.7856263051347054
Energy: 0.8572783308168798
Energy: 0.8687884840830865

minimum gb energy = 0.7819780479912609 eV
minimum distance =  2.34031512657534 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.9691644139542326
Energy: 0.9671933698050246
Energy: 0.9700950881400863
Energy: 0.8700174361083426
Energy: 0.8324881300256468
Energy: 0.9680683584412338
Energy: 0.7814274209986733
Energy: 0.8327247424717774
Energy: 0.8326716231882636
Energy: 0.8059568718205968
Energy: 0.8327141452594168
Energy: 0.8327373581273351
Energy: 0.879237225366639
Energy: 0.8327597099648478
Energy: 0.8327390617709259
Energy: 0.8048803527264752
Energy: 0.8327771063230032
Energy: 0.8330569956708445
Energy: 0.7813514332023589
Energy: 0.832853340691199
Energy: 0.7921197621841233
Energy: 0.8229581214558652
Energy: 0.832855302049339
Energy: 0.7919864841236951
Energy: 0.9702039681148915
Energy: 0.7792450393959642
Energy: 0.7907972130740716
Energy: 0.8328628271260178
Energy: 0.7785170051218607
Energy: 0.7926381406618839
Energy: 0.8339881314820697
Energy: 0.8713439231504118
Energy: 0.7795424301126118
Energy: 0.8344274745388705
Energy: 0.8711905574890045
Energy: 0.7794551080930507
Energy: 0.8331512337851165
Energy: 0.7924733057048756
Energy: 0.7918420188349814
Energy: 0.8326953828259486
Energy: 0.7925604307777208
Energy: 0.7922523338686032
Energy: 0.8804105582733354
Energy: 0.7888404994832269
Energy: 0.7864861595834775
Energy: 0.8335113570727208
Energy: 0.7887612309300435
Energy: 0.8305343172826022
Energy: 0.8794658195082012
Energy: 0.7867503824088822
Energy: 0.7918082506149443
Energy: 0.8326921053584181
Energy: 0.7889514164854399
Energy: 0.7918025028319012
Energy: 0.7810952148954018
Energy: 0.8194499426628951
Energy: 0.8197710615297009
Energy: 0.8348408132435801
Energy: 0.8204140544517763
Energy: 0.8211840530171919
Energy: 0.8794236650598972
Energy: 0.8325922654508775
Energy: 0.8332915905221531
Energy: 0.8339859712794975
Energy: 0.8310215319952365
Energy: 0.8363060223358605
Energy: 0.7814274365085819
Energy: 0.8335572206814139
Energy: 0.7919722013280525
Energy: 0.8054946795265109
Energy: 0.8331483643178605
Energy: 0.7918276102275621

minimum gb energy = 0.7785170051218607 eV
minimum distance =  2.38174037405147 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.4431587191249602
Energy: 0.8627245895412446
Energy: 0.8260826073225676
Energy: 1.182169829371775
Energy: 1.0054329133136073
Energy: 0.9801358224432939
Energy: 0.6972703328519946
Energy: 0.7312391248576684
Energy: 0.731517496224999
Energy: 0.7220610312138733
Energy: 0.7314587708180994
Energy: 0.718964522428091
Energy: 0.7506599723932765
Energy: 0.7325765904502844
Energy: 0.7321141369821693
Energy: 0.7461183966941561
Energy: 0.7325155021192942
Energy: 0.7438926934801966
Energy: 0.7503702295208652
Energy: 0.7007096674304252
Energy: 0.7456618813050833
Energy: 0.7316919392828507
Energy: 0.7282270187722886
Energy: 0.7303028636882181
Energy: 1.0083036300475532
Energy: 0.7128822880232966
Energy: 0.7003526595634837
Energy: 0.7557899878100696
Energy: 0.7239033068786616
Energy: 0.7042177313368316
Energy: 0.7556217470650362
Energy: 0.7151659653636091
Energy: 0.6949485694288285
Energy: 0.7556325481614788
Energy: 0.713918318159376
Energy: 0.7765189207392302
Energy: 0.7554273609799271
Energy: 0.7039412280717985
Energy: 0.7035427700317972
Energy: 0.7564429226815589
Energy: 0.7035601828264325
Energy: 0.7557796445756698
Energy: 0.7557623636814019
Energy: 0.7373088619152653
Energy: 0.7041022760015232
Energy: 0.7556519935477871
Energy: 0.7302635143591633
Energy: 0.7722145124247652
Energy: 1.0263129298960565
Energy: 0.7402386821157471
Energy: 0.7531979183796796
Energy: 0.7635044790389393
Energy: 0.7406740264079746
Energy: 0.7323939845774124
Energy: 0.6972699537740842
Energy: 0.7308113220133589
Energy: 0.7813502849372678
Energy: 0.7181111088502246
Energy: 0.7404383797463662
Energy: 0.6924503022052065
Energy: 0.697221577361264
Energy: 0.7554577277936236
Energy: 0.7555199786284714
Energy: 0.7295334565407778
Energy: 0.7556550555078091
Energy: 0.7018158269621929
Energy: 0.8876034034565277
Energy: 0.7554104991812042
Energy: 0.7553437438547531
Energy: 0.7171131234837761
Energy: 0.7555431221711376
Energy: 0.7843681717104306
Energy: 1.2751533248476994
Energy: 0.7636089394848841
Energy: 0.8105682028236766
Energy: 0.759020923830031
Energy: 0.8431584205064219
Energy: 0.7573699877903122
Energy: 0.887558395228618
Energy: 0.7554109411159078
Energy: 0.7480307826982502
Energy: 0.7181981246603004
Energy: 0.7557864145993384
Energy: 0.748300557423904
Energy: 0.7312273262210661
Energy: 0.743079404571985
Energy: 0.7418790136872406
Energy: 0.7317129040955974
Energy: 0.7415875487839549
Energy: 0.7468144491918272
Energy: 0.7312691194091924
Energy: 0.72709674401914
Energy: 0.7260820917523184
Energy: 0.7316210534052071
Energy: 0.7423711859038274
Energy: 0.7320865598655192
Energy: 0.7311691208560234
Energy: 0.7017188012905298
Energy: 0.7030523065112698
Energy: 0.7313610179901066
Energy: 0.7149071462462365
Energy: 0.7411945617188749
Energy: 0.8522435763445659
Energy: 0.7165526824843967
Energy: 0.7032277268821036
Energy: 0.7324442208081696
Energy: 0.7256323877175894
Energy: 0.7801243863861871
Energy: 0.7512645478645286
Energy: 0.7231421884081948
Energy: 0.7331579521694923
Energy: 0.73198927083272
Energy: 0.7223820309389355
Energy: 0.7228091653147479
Energy: 0.7499914954923315
Energy: 0.7228755712774665
Energy: 0.7249797022364324
Energy: 0.722077131376235
Energy: 0.721657012396016
Energy: 0.7205653622306376
Energy: 0.750487819817928
Energy: 0.7462558231285927
Energy: 0.7428332647424926
Energy: 0.7447414994590248
Energy: 0.732594838510315
Energy: 0.7239269376276511
Energy: 0.8089521247873804
Energy: 0.731660614639365
Energy: 0.757189178495825
Energy: 0.7236261487123709
Energy: 0.7320197911977677
Energy: 0.6936832176347492
Energy: 0.8093196744707424
Energy: 0.7314738212591576
Energy: 0.7322912461643458
Energy: 0.7235588207619055
Energy: 0.731404431153103
Energy: 0.7029806272758691
Energy: 0.7499360121861302
Energy: 0.7325371919596023
Energy: 0.7327809480764218
Energy: 0.7448937851616323
Energy: 0.7321160592442992
Energy: 0.7451814684135558
Energy: 0.9536434336101526
Energy: 0.6990475420049541
Energy: 0.7607241588383055
Energy: 0.7436369268343881
Energy: 0.731797323315423
Energy: 0.7425908215864531
Energy: 0.7502812055017005
Energy: 0.7167407975786746
Energy: 0.703604291151385
Energy: 0.7560075323223883
Energy: 0.716769041092185
Energy: 0.7482537174533116
Energy: 0.7002088265134061
Energy: 0.8414115927414869
Energy: 0.7674344653286872
Energy: 0.7002342089398959
Energy: 0.9421495629210223
Energy: 0.7831039823431468
Energy: 0.7554580130862633
Energy: 0.7038718542288037
Energy: 0.704433335654212
Energy: 0.7554093651091627
Energy: 0.7171591075588145
Energy: 0.7409305101975973
Energy: 0.7556261628976461
Energy: 0.7184209901486903
Energy: 0.701497958666153
Energy: 0.7556613842661746
Energy: 0.7291517561609281
Energy: 0.7557340940700505
Energy: 0.9278309377352665
Energy: 0.7367769562827227
Energy: 0.7011860063695033
Energy: 0.7627473711230189
Energy: 0.7301448689332705
Energy: 0.7003017499301148
Energy: 0.697102902637437
Energy: 0.7737554241419179
Energy: 0.7363270390635166
Energy: 0.7298739670929396
Energy: 0.7561677159896715
Energy: 0.7416760995712071
Energy: 0.7015213527020664
Energy: 0.755637668932747
Energy: 0.7558378961006401
Energy: 0.7184213082592282
Energy: 0.7555516306446131
Energy: 0.6938465989676064
Energy: 0.8872417327740012
Energy: 0.7557235552375856
Energy: 0.7557315099805243
Energy: 0.7495075337640215
Energy: 0.7562666224486488
Energy: 0.7724846742651077
Energy: 0.754629775223067
Energy: 0.7554307713450162
Energy: 0.7554949934045719
Energy: 0.7283429328000142
Energy: 0.7552640648267979
Energy: 0.6959166547973843
Energy: 0.754475181084671
Energy: 0.7556873795246543
Energy: 0.7485732664922535
Energy: 0.727434569334228
Energy: 0.7557008374567058
Energy: 0.7043034383783707
Energy: 0.7567882966566163
Energy: 0.7406240459637645
Energy: 0.7279577955505003
Energy: 0.7509772047389229
Energy: 0.7403899119353375
Energy: 0.7450279705686268
Energy: 0.7331216909796983
Energy: 0.7439602656139744
Energy: 0.7200444548566507
Energy: 0.7323260403448772
Energy: 0.7400007241067199
Energy: 0.731906789628856
Energy: 0.7317157968681977
Energy: 0.7217289737726779
Energy: 0.721066785459834
Energy: 0.7315950825739819
Energy: 0.7209961494109925
Energy: 0.7321943329143756
Energy: 0.7312843884629499
Energy: 0.8010480957871632
Energy: 0.8170399842599015
Energy: 0.73181938179315
Energy: 0.7613322442991001
Energy: 0.7806053909679125
Energy: 0.74983587523301
Energy: 0.7216710694356697
Energy: 0.721272018928256
Energy: 0.731586729555962
Energy: 0.7210872631742534
Energy: 0.7301638450704756
Energy: 0.7481012699506634
Energy: 0.7419998056854097
Energy: 0.7200026200160107
Energy: 0.71868384485321
Energy: 0.7255848518360282
Energy: 0.7245869830132674
Energy: 0.7510291745175453
Energy: 0.7232715886311991
Energy: 0.7264223493420442
Energy: 0.7300758082531448
Energy: 0.7220163761366991
Energy: 0.7256888875317206
Energy: 0.8095299013442587
Energy: 0.7314402060839075
Energy: 0.7297834734883839
Energy: 0.7235434031460756
Energy: 0.7313658928097181
Energy: 0.7029006029431784

minimum gb energy = 0.6924503022052065 eV
minimum distance =  2.39812666018032 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.37193577151970864
Energy: 0.3812160360552775
Energy: 0.3753708170402107
Energy: 0.3748307012294089
Energy: 0.4134030496987305
Energy: 0.4242900209623294
Energy: 0.37314589495215034
Energy: 0.39290238702023994
Energy: 0.4342911388551598
Energy: 0.41272126421113303
Energy: 0.3920469565292505
Energy: 0.43170909060159546
Energy: 0.4535638416838546
Energy: 0.4177774594274439
Energy: 0.43660241903942837
Energy: 0.41435899712396923
Energy: 0.4138153030177159
Energy: 0.43363386548316074
Energy: 0.4537540941475119
Energy: 0.4180969700533433
Energy: 0.43832252205632644
Energy: 0.39122745874648845
Energy: 0.414213224995317
Energy: 0.43336275509194605
Energy: 0.45012981163954474
Energy: 0.41133677704255445
Energy: 0.37507430771040745
Energy: 0.415172938086865
Energy: 0.3734061251689812
Energy: 0.4331277654920748
Energy: 0.41421337240278616
Energy: 0.3736728031196225
Energy: 0.3767278830659232
Energy: 0.38964099628190657
Energy: 0.37305787555661835
Energy: 0.42940950138802975
Energy: 0.4099768918771844
Energy: 0.39477029348560444
Energy: 0.4362181841203411
Energy: 0.41136179199885686
Energy: 0.39012839753399964
Energy: 0.43408528359989046
Energy: 0.41371656058394934
Energy: 0.39734879662043565
Energy: 0.43677686336881705
Energy: 0.4137308502911759
Energy: 0.39117218734543474
Energy: 0.4335800681555542
Energy: 0.4502914339742631
Energy: 0.3861511228475297
Energy: 0.4358567040842045
Energy: 0.41383517059625885
Energy: 0.41455865930078023
Energy: 0.43631848917052085
Energy: 0.37299411508321423
Energy: 0.43474933296538143
Energy: 0.3751802841221509
Energy: 0.37300901259353936
Energy: 0.41550674479183036
Energy: 0.4269999535187779
Energy: 0.373078742717897
Energy: 0.41828569552954775
Energy: 0.42004854279323045
Energy: 0.3731503814895135
Energy: 0.38997613625630284
Energy: 0.3767082436004866
Energy: 0.452788632573651
Energy: 0.3902458538861741
Energy: 0.43189980591312394
Energy: 0.3905084748101134
Energy: 0.4134862566372816
Energy: 0.4316082134320187
Energy: 0.45331716009351736
Energy: 0.39088734854247065
Energy: 0.3906416187861145
Energy: 0.439973558867753
Energy: 0.4535220879440807
Energy: 0.39013782430514676
Energy: 0.45150120158153095
Energy: 0.3910216229804704
Energy: 0.43316149005901444
Energy: 0.41333079850049537
Energy: 0.4136832206406393
Energy: 0.43213234477684637
Energy: 0.45381169994920445
Energy: 0.37327164882271563
Energy: 0.4218491423877106
Energy: 0.3907243279801641
Energy: 0.3729233716840918
Energy: 0.4259395254979258
Energy: 0.4124886094176907
Energy: 0.4183917707236067
Energy: 0.43209455735861224
Energy: 0.41354610278760434
Energy: 0.37332132462147405
Energy: 0.43293849402015605
Energy: 0.4138809880573813
Energy: 0.431103086978407
Energy: 0.433388300155773
Energy: 0.4138872326864565
Energy: 0.3924886573579533
Energy: 0.43668306577692745
Energy: 0.45321632948257085
Energy: 0.39735236011037145
Energy: 0.4345402227580809
Energy: 0.4533203508762872
Energy: 0.3912569775031369
Energy: 0.4340337424486812
Energy: 0.3730703740802218
Energy: 0.3958350457861709
Energy: 0.43675869529753425
Energy: 0.3732617438519303
Energy: 0.3904941199140283
Energy: 0.4336860295347302

minimum gb energy = 0.37193577151970864 eV
minimum distance =  2.44696036936408 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.1432617246075476
Energy: 0.6189963816643098
Energy: 0.7304516683362853
Energy: 0.962807789769784
Energy: 0.722986768185085
Energy: 1.164225447087967
Energy: 0.7591990590759738
Energy: 0.6282919566242516
Energy: 0.6216931105011492
Energy: 0.6125373786034826
Energy: 0.5923102830944525
Energy: 0.6003823364080626
Energy: 0.5929176441605877
Energy: 0.593879821279137
Energy: 0.5932542065049645
Energy: 0.5942652803872691
Energy: 0.6085758403246354
Energy: 0.600906899698148
Energy: 0.5927645902922123
Energy: 0.6238661328714354
Energy: 0.59962154472057
Energy: 0.5938126125505956
Energy: 0.6033304040870134
Energy: 0.6141278778682349
Energy: 0.5929498681361269
Energy: 0.7100758822192451
Energy: 0.6473738720662233
Energy: 0.611374059350298
Energy: 0.5989898492925012
Energy: 0.6022088806771011
Energy: 0.8018996649281066
Energy: 0.6722793622545247
Energy: 0.6570807563517611
Energy: 0.7011766477553318
Energy: 0.5987725834072835
Energy: 0.6501646969296717
Energy: 0.7264974449105993
Energy: 0.6147454686616285
Energy: 0.6170077912518463
Energy: 0.5916373732738999
Energy: 0.6101021176604251
Energy: 0.6003235276611212
Energy: 0.6049480553630356
Energy: 0.670339378061172
Energy: 0.6700612166650991
Energy: 0.6094745623635088
Energy: 0.6701127511749627
Energy: 0.7039401323052332
Energy: 0.7990089931902618
Energy: 0.6149050055652779
Energy: 0.6737214585572362
Energy: 0.6097283298316656
Energy: 0.6015928362442244
Energy: 0.5986833418016503
Energy: 0.9892749908282008
Energy: 0.6565072100906765
Energy: 0.6502498045549818
Energy: 0.9010477573244622
Energy: 0.649301872385274
Energy: 0.6569038201416242
Energy: 1.0436012177124065
Energy: 0.654908941466571
Energy: 0.6486662470560693
Energy: 0.6022562335228578
Energy: 0.6606682612341807
Energy: 0.7120769853096032
Energy: 0.8737806732133756
Energy: 0.5776979683239062
Energy: 0.599260565068952
Energy: 0.6773414837931576
Energy: 0.5795654600011624
Energy: 0.5929196891578183
Energy: 0.7987037431968912
Energy: 0.5789727942114358
Energy: 0.7519952424585411
Energy: 0.7835251332718703
Energy: 0.5803104165477555
Energy: 0.6689915407728781
Energy: 0.7949774411262789
Energy: 0.7117754133102231
Energy: 0.7101006534863793
Energy: 0.6640601719424178
Energy: 0.7106150184455463
Energy: 0.7097887103090704
Energy: 0.7916529563642846
Energy: 0.9094048531954981
Energy: 0.8583064687563532
Energy: 0.7076095251800196
Energy: 0.8584736355767364
Energy: 0.6618378879307274
Energy: 1.016027324949419
Energy: 0.7116093825066444
Energy: 0.7103712757457726
Energy: 0.6106792642810682
Energy: 0.6784230935182548
Energy: 0.7097841490967133
Energy: 0.8471692873847064
Energy: 0.6579274881036217
Energy: 0.5921659006888086
Energy: 0.8107427592090674
Energy: 0.8398966098740199
Energy: 0.5919638404605703
Energy: 1.079954103265007
Energy: 0.6544462833646802
Energy: 0.7083575456332598
Energy: 0.6103553460835096
Energy: 0.6530662573435972
Energy: 0.7102649804890321
Energy: 0.9646693419649434
Energy: 0.6012505845640619
Energy: 0.6144091850141462
Energy: 0.600461471791629
Energy: 0.6746708975326049
Energy: 0.6765423395640024
Energy: 0.726344815440045
Energy: 0.676891540592006
Energy: 0.6742788597900894
Energy: 0.7155918824014288
Energy: 0.8108059160614245
Energy: 0.6744233623513786
Energy: 1.0140706360883773
Energy: 0.712090986617961
Energy: 0.6475739680754279
Energy: 0.6067439606352304
Energy: 0.7152980832524493
Energy: 0.6479515087954241
Energy: 0.8385586391802521
Energy: 0.7707019428467253
Energy: 0.7762735716563276
Energy: 0.7829210255650769
Energy: 0.9555904984591501
Energy: 0.7089586418578089
Energy: 0.6796242084088855
Energy: 0.6773098040400852
Energy: 0.6731416721704041
Energy: 0.5934967047775426
Energy: 0.6692574610491661
Energy: 0.6717408349799114
Energy: 0.6679062814225311
Energy: 0.7190873625608434
Energy: 0.6680191701771573
Energy: 0.6688014251272814
Energy: 0.5927556363443197
Energy: 0.6684710459690356
Energy: 0.6667630143516778
Energy: 0.6058806009362189
Energy: 0.6375489388383537
Energy: 0.6792468967023944
Energy: 0.5941392827032187
Energy: 0.5932007996471194
Energy: 0.9938045582454277
Energy: 0.6091879441631751
Energy: 0.5939834550810247
Energy: 0.5943161119138437
Energy: 0.6223492504994987
Energy: 0.5773764387774081

minimum gb energy = 0.5773764387774081 eV
minimum distance =  2.41092531968114 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.1815537310782354
Energy: 0.6620018144561536
Energy: 0.6622183882299107
Energy: 0.9036759216806766
Energy: 0.7980903886700903
Energy: 0.9027353068513913
Energy: 0.7807864961506547
Energy: 0.6703972252261746
Energy: 0.6740794929137409
Energy: 0.6551757043036518
Energy: 0.6408474439236829
Energy: 0.650807726513019
Energy: 0.642175954171946
Energy: 0.6593154078463552
Energy: 0.6513908110849137
Energy: 0.6422154216285763
Energy: 0.643530699724496
Energy: 0.6512310170240121
Energy: 0.6427885787337625
Energy: 0.6689314983184671
Energy: 0.6514527338312347
Energy: 0.6427943559749562
Energy: 0.6596788127215842
Energy: 0.6597191789455107
Energy: 0.6402683008303102
Energy: 0.662990236791896
Energy: 0.6517735249931947
Energy: 0.6534876146555383
Energy: 0.6611913783259995
Energy: 0.7488234355908755
Energy: 0.9134073458473572
Energy: 0.7576351559160861
Energy: 0.7555101339830649
Energy: 0.6404724679087906
Energy: 0.7608812022711223
Energy: 0.7693793685846051
Energy: 0.8552344149581872
Energy: 0.6605532407703699
Energy: 0.6609923061072349
Energy: 0.6412495401454839
Energy: 0.6722113735548352
Energy: 0.6529047237644503
Energy: 0.6598317912912105
Energy: 0.7690097196894404
Energy: 0.7675450324931329
Energy: 0.6857228684014002
Energy: 0.7688713182445018
Energy: 0.6179615906617159
Energy: 0.9123486816331993
Energy: 0.6524679472429316
Energy: 0.6513595561736186
Energy: 0.6463467449702172
Energy: 0.6609190117747454
Energy: 0.6514966572453322
Energy: 0.8495828841124344
Energy: 0.7718515431173596
Energy: 0.7715077242516818
Energy: 0.8178093356091549
Energy: 0.76025959918732
Energy: 0.7721087243974553
Energy: 0.8505622647584199
Energy: 0.7570965720941519
Energy: 0.6546845074769535
Energy: 0.820213247268159
Energy: 0.7715620033463189
Energy: 0.6618159893460678
Energy: 1.0367917852801263
Energy: 0.6183820900677702
Energy: 0.6177481689456238
Energy: 0.7778428259029184
Energy: 0.6188516573282594
Energy: 0.6508497211736465
Energy: 0.7599622280244509
Energy: 0.6175207053160345
Energy: 0.8920181390560656
Energy: 0.7601465240244533
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Energy: 0.88983767400389
Energy: 0.751427136126491
Energy: 0.6624935320202562
Energy: 0.6589596128032751
Energy: 0.661146513762473
Energy: 0.6417038219848425
Energy: 0.6528062481165986
Energy: 0.7661940407621388
Energy: 0.7719812481474557
Energy: 0.7626078919278486
Energy: 0.7665841363799462
Energy: 0.7614417436071683
Energy: 0.7668998365865412
Energy: 0.6401818235508623
Energy: 0.6635439392397476
Energy: 0.6518957558786614
Energy: 0.6742346110443717
Energy: 0.6409532660240068
Energy: 0.6515132695464781
Energy: 1.0395730808047836
Energy: 0.6695832889292264
Energy: 0.6433706501966044
Energy: 0.9274128952947189
Energy: 0.656865379158509
Energy: 0.8937514420453018
Energy: 0.9011284076031345
Energy: 0.6731125501026656
Energy: 0.6611247698010901
Energy: 0.6184623912917153
Energy: 0.6537467934044159
Energy: 0.6189397917136422
Energy: 0.6429861946949765
Energy: 0.6563954398453513
Energy: 0.6624387868243706
Energy: 0.64260801115575
Energy: 0.6435355094319871
Energy: 0.6517218915156655
Energy: 0.6415092357641912
Energy: 0.6599983852264626
Energy: 0.6515286097255386
Energy: 0.6416834824016133
Energy: 0.6428629330168372
Energy: 0.6513484871387315
Energy: 0.6403517106602975
Energy: 0.651647766002419
Energy: 0.651358913698056
Energy: 0.6407043547914132
Energy: 0.6606026347559779
Energy: 0.6506430347120338
Energy: 1.1152376750048019
Energy: 0.7718271862506294
Energy: 0.7722002757953713
Energy: 0.7982789549818846
Energy: 0.7719170244000515
Energy: 0.77190636543744
Energy: 0.9123757391254121
Energy: 0.6593894349478496
Energy: 0.6533360256102789
Energy: 0.6426373929461219
Energy: 0.6614371599868843
Energy: 0.6515997524232923
Energy: 0.6595867037959668
Energy: 0.7562602511451433
Energy: 0.7563880720585747
Energy: 0.685745924418845
Energy: 0.7661842142186923
Energy: 0.6180272673217496
Energy: 0.855249426705216
Energy: 0.6619687596907803
Energy: 0.6597707717831016
Energy: 0.6545798694971525
Energy: 0.6607335149010762
Energy: 0.6532978633086669
Energy: 0.850183545257938
Energy: 0.7717584512967791
Energy: 0.6617692173527825
Energy: 0.8203686649752626
Energy: 0.7720082838683175
Energy: 0.6517053503960649
Energy: 0.8495926771869924
Energy: 0.7713500792713878
Energy: 0.7570348150775765
Energy: 0.8180895687266637
Energy: 0.7605310075042698
Energy: 0.7732400449791775
Energy: 1.0355202335093665
Energy: 0.6448516308166338
Energy: 0.6593004996046344
Energy: 0.6566779921053789
Energy: 0.6325746617782494
Energy: 0.6629682751018229
Energy: 0.7609421950664345
Energy: 0.8958521286257471
Energy: 0.8902058933752272
Energy: 0.7609386827557797
Energy: 0.9009712018002817
Energy: 0.8900271944380271
Energy: 0.7505181062269534
Energy: 0.662334395072522
Energy: 0.6547256672875224
Energy: 0.7283879609956713
Energy: 0.6599863039910668
Energy: 0.6541438700112836
Energy: 0.760886992405691
Energy: 0.7569597863885136
Energy: 0.7617112265298388
Energy: 0.761008991214215
Energy: 0.7626323646417569
Energy: 0.760915011032362
Energy: 0.7610018814503389
Energy: 0.6625576440165214
Energy: 0.6605563455512893
Energy: 0.7721905293416623
Energy: 0.6419730952986173
Energy: 0.661414618075615
Energy: 1.039494957509152
Energy: 0.6725368593141962
Energy: 0.6190002494079263
Energy: 0.9280151802083572
Energy: 0.6700068595688259
Energy: 0.6189033365025544

minimum gb energy = 0.6175207053160345 eV
minimum distance =  2.41119336157479 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.7631390358604472
Energy: 1.0594139679714292
Energy: 1.0586013346258847
Energy: 0.6805002758967744
Energy: 0.9337768624184145
Energy: 1.070341323802693
Energy: 1.029381796913629
Energy: 0.7067857921610183
Energy: 0.6877479074037144
Energy: 0.7090592797525831
Energy: 0.6930317528275513
Energy: 0.6862915351831678
Energy: 0.6943356411739698
Energy: 0.6871849255964745
Energy: 0.6875183614586913
Energy: 0.6944654669383514
Energy: 0.6872365951824908
Energy: 0.6929565514834408
Energy: 0.6945536849448167
Energy: 0.6919074481053263
Energy: 0.6917769279129474
Energy: 0.6948171451646878
Energy: 0.6875868854193554
Energy: 0.6910981912133314
Energy: 0.6940671677661246
Energy: 0.6650204716329794
Energy: 0.665107959183742
Energy: 0.7119757265526931
Energy: 0.7125235772121138
Energy: 0.665233090920559
Energy: 0.8927827426552981
Energy: 0.8621514979041823
Energy: 0.6646171803368693
Energy: 0.8854049031783593
Energy: 0.90177566154546
Energy: 0.6645058640019759
Energy: 1.0346023284353842
Energy: 0.6659849951920658
Energy: 0.7100853768068925
Energy: 0.6945774450917377
Energy: 0.7039830273522405
Energy: 0.7088774566040725
Energy: 0.7194858379313716
Energy: 0.6670087388921462
Energy: 0.669325763274257
Energy: 0.663475316238836
Energy: 0.667543234538369
Energy: 0.668725163069054
Energy: 0.7220891791655597
Energy: 0.6646178583753072
Energy: 0.665470635069244
Energy: 0.7498859456126701
Energy: 0.6645031818413909
Energy: 0.6669131918386999
Energy: 0.9902079638332376
Energy: 0.6674083346193982
Energy: 0.6671429675593428
Energy: 0.7093878670067598
Energy: 0.6674356079070731
Energy: 0.6867904939953798
Energy: 0.9901243361247378
Energy: 0.6862141759999667
Energy: 0.6876620582706835
Energy: 0.6949897576371932
Energy: 0.7044801192394625
Energy: 0.6896440017880596
Energy: 0.8919965122540268
Energy: 0.6660399058309362
Energy: 0.6637491175801139
Energy: 0.69487383204878
Energy: 0.6717463134664866
Energy: 0.6630138306880802
Energy: 0.6968142800798627
Energy: 0.6670176523412119
Energy: 0.7017810746301743
Energy: 0.695965362068445
Energy: 0.6665133849639497
Energy: 0.7040088092503275
Energy: 0.6970104602821445
Energy: 0.7107437675034475
Energy: 0.6891077178546579
Energy: 0.6942830297415722
Energy: 0.7107325725902172
Energy: 0.6878361014479899
Energy: 0.6666937968658734
Energy: 0.6886653505353046
Energy: 0.6882986383823841
Energy: 0.6872602450926588
Energy: 0.6885110098623102
Energy: 0.6887633382910179
Energy: 0.6930569368665979
Energy: 0.707407380960206
Energy: 0.6904277045743376
Energy: 0.7299054169321133
Energy: 0.6937586232876753
Energy: 0.7084994716357678
Energy: 0.9851354539577807
Energy: 0.6977167354654823
Energy: 0.8653463207980832
Energy: 0.9021077180755008
Energy: 0.8853666492582669
Energy: 0.8609627935428664
Energy: 0.9867152150669732
Energy: 0.6932204184933524
Energy: 0.6650817888171393
Energy: 0.699384240910225
Energy: 0.712038913040949
Energy: 0.6654180464487359
Energy: 0.8653354576402899
Energy: 0.6636009767459066
Energy: 0.6639430920045751
Energy: 0.6661689217966621
Energy: 0.6653535376769152
Energy: 0.69210280357834
Energy: 0.8601128567475351
Energy: 0.6647024352512702
Energy: 0.6670117178643554
Energy: 0.665979757057293
Energy: 0.7356570610546649
Energy: 0.6922670596640135
Energy: 0.6647089744983781
Energy: 0.6662065126895527
Energy: 0.6659227886938935
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Energy: 0.7299368792925947
Energy: 0.665886706575724
Energy: 0.8666387473560178
Energy: 0.6849726533094009
Energy: 0.6672037182336034
Energy: 0.8670384882833275
Energy: 0.8646847804632929
Energy: 0.6671137846745673
Energy: 1.0038389600319175
Energy: 0.7074201033628837
Energy: 0.6882297834953005
Energy: 0.6850629642112231
Energy: 0.7129914886439429
Energy: 0.6665425803069721
Energy: 0.7227967209941352
Energy: 0.8892968763316346
Energy: 0.6626559987721474
Energy: 1.0616750635446883
Energy: 0.904850645756723
Energy: 0.6672527561563658
Energy: 1.3413311564545425
Energy: 0.7272350643458005
Energy: 0.7088638774231532
Energy: 0.687202263408297
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Energy: 0.6881025685036958
Energy: 0.6948262752921228
Energy: 0.687415597345034
Energy: 0.6875774392927192
Energy: 0.6948893902079676
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Energy: 0.6942297016390943
Energy: 0.692429956567794
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Energy: 0.6943932378477065
Energy: 0.7124374051258554
Energy: 0.693436712532375
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Energy: 0.9905246493627152
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Energy: 0.9901962277888665
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Energy: 0.6946375431350863
Energy: 0.6675070754761808
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Energy: 0.8907367593818094
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Energy: 0.663661074531355
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Energy: 0.8951353399925526
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Energy: 0.7102655211785959
Energy: 0.6941854259665977
Energy: 0.7102086996584682
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Energy: 0.6857412402616594
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Energy: 0.687195021171407
Energy: 0.6858445663913892
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Energy: 0.6868263597335093
Energy: 0.6941918893396665
Energy: 0.7081252844642255
Energy: 0.6875573306528295
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Energy: 0.6941805723571648
Energy: 0.6892426885154094
Energy: 0.985812288799382
Energy: 0.6963120196068353
Energy: 0.7086310183066168
Energy: 0.9161623076094895
Energy: 0.6963947147529868
Energy: 0.8610068673808666
Energy: 0.9862892625169472
Energy: 0.7125833525786187
Energy: 0.6651507223727506
Energy: 0.9104109797410481
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Energy: 0.6946864401560581
Energy: 0.6638125779457414
Energy: 0.6666694458391436
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Energy: 0.7207539030266301
Energy: 0.6909709959998795
Energy: 0.6672580672611638
Energy: 0.6630934021862335
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Energy: 0.667695352006939
Energy: 0.6651938070887734
Energy: 0.668441493837033
Energy: 0.6641271190709273
Energy: 0.6693921698775043
Energy: 0.6665543961934609
Energy: 0.6643043848074278
Energy: 0.7378668582320265
Energy: 0.6668709211419007
Energy: 0.8701618150684229
Energy: 0.6851917725849027
Energy: 0.6668824164339361
Energy: 0.8703407055682683
Energy: 0.8646838527241865
Energy: 0.8725836717016118
Energy: 0.6930489123558521
Energy: 0.6866519024469289
Energy: 0.6936006631606555
Energy: 0.6844220711693509
Energy: 0.6948210702002838
Energy: 0.7099305163324773
Energy: 1.2575242360858392
Energy: 0.6894224290657796
Energy: 0.6627470409394663
Energy: 0.6657070188190171
Energy: 0.9026854108272626
Energy: 0.6843050768903024

minimum gb energy = 0.6626559987721474 eV
minimum distance =  2.43120740255064 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 1.0359133438800407
Energy: 0.7371604623371417
Energy: 0.7366346686874876
Energy: 0.7373066279316092
Energy: 0.7492037117541319
Energy: 0.7365983896918004
Energy: 0.7820973372436263
Energy: 0.7255171001521096
Energy: 0.7250186181058581
Energy: 0.72724558147138
Energy: 0.7259845392003729
Energy: 0.7248102542025667
Energy: 0.744506380616483
Energy: 0.6962802212628646
Energy: 0.7275389269016639
Energy: 0.7272026249339811
Energy: 0.6974479271364978
Energy: 0.7275974161185526
Energy: 0.7454524902389802
Energy: 0.7261393466514373
Energy: 0.7262648783741743
Energy: 0.7457678800448172
Energy: 0.7260889992342048
Energy: 0.7264023459806926
Energy: 0.7456661133529209
Energy: 0.7269266250534334
Energy: 0.7267361678564846
Energy: 0.7457177197930351
Energy: 0.7263558047561531
Energy: 0.7285481964794319
Energy: 0.7485585362866305
Energy: 0.7408049634063292
Energy: 0.7277839794748202
Energy: 0.7484873219426195
Energy: 0.7406051310753163
Energy: 0.7479794044122327
Energy: 0.7823171858742278
Energy: 0.7257138085776643
Energy: 0.7253388263219243
Energy: 0.7824795854943097
Energy: 0.7260463315942224
Energy: 0.7250696877783531

minimum gb energy = 0.6962802212628646 eV
minimum distance =  2.43280576476232 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.2828307960121261
Energy: 0.8681980486607067
Energy: 0.805786047900844
Energy: 0.7939834919395696
Energy: 0.9089838594461411
Energy: 0.8061503838595355
Energy: 0.8255017867292634
Energy: 0.819938532954484
Energy: 0.8233506352242939
Energy: 0.8433627025770606
Energy: 0.8831700527348659
Energy: 0.8106486732041375
Energy: 0.8220384044782097
Energy: 0.8094171661223852
Energy: 0.8166260459611301
Energy: 0.8237846311387932
Energy: 0.8260384300620999
Energy: 0.858795545817777
Energy: 0.8241836583355774
Energy: 0.8129611810584482
Energy: 0.8129848642610839
Energy: 0.8246564658813107
Energy: 0.8167101889482133
Energy: 0.8204422365057192
Energy: 0.8316821067972541
Energy: 0.8336450180380514
Energy: 0.8349808415262588
Energy: 0.8129277886271293
Energy: 0.8352964212413779
Energy: 0.8208403712494201
Energy: 0.8274024686532189
Energy: 0.8358183843699485
Energy: 0.7993792609543242
Energy: 0.8435743152709412
Energy: 0.8428105262457709
Energy: 0.8041260268751975
Energy: 0.8118119497240921
Energy: 0.8387531824217584
Energy: 0.8168925675597299
Energy: 0.7963845780827227
Energy: 0.8473795649973618
Energy: 0.8169901806068004
Energy: 0.9117185700225588
Energy: 0.9367467085221125
Energy: 0.7993117361494494
Energy: 0.8598768980525058
Energy: 0.9359871782779998
Energy: 0.8046151292738605
Energy: 0.8137178007334386
Energy: 0.8267893246424848
Energy: 0.8178360528591044
Energy: 0.819783252613705
Energy: 0.8669865886020421
Energy: 0.847061650453333
Energy: 0.9520181624402596
Energy: 0.8742176605753335
Energy: 0.8739383329766979
Energy: 0.887645511208754
Energy: 0.8747465624629607
Energy: 0.8103482812911894
Energy: 0.8941699771924271
Energy: 0.8646977395890142
Energy: 0.8636518294651518
Energy: 0.8657912449478705
Energy: 0.816874624020818
Energy: 0.8329514571756047
Energy: 0.8394758854611266
Energy: 0.8241058743995718
Energy: 0.8039702193459308
Energy: 0.8386012034621563
Energy: 0.7997975644161317
Energy: 0.806591881700326
Energy: 0.8148036175383698
Energy: 0.8218936696583128
Energy: 0.804165966302152
Energy: 0.8210295855927995
Energy: 0.8095895052220332
Energy: 0.8358115971632193
Energy: 0.8682226754353063
Energy: 0.8301258122094098
Energy: 0.8354254045278842
Energy: 0.8338312895947694
Energy: 0.8268903668953808
Energy: 0.8356062448874929
Energy: 0.8462882701476563
Energy: 0.8245017730512076
Energy: 0.8218919006459515
Energy: 0.8028944799284796
Energy: 0.8243296737975845
Energy: 0.8212918577258237
Energy: 0.9098905574004794
Energy: 0.8461338740490371
Energy: 0.8459719871247888
Energy: 0.9100611711787991
Energy: 0.8456351849017416
Energy: 0.8460868142893777
Energy: 0.911486777374079
Energy: 0.845545565723102
Energy: 0.8456563044181143
Energy: 0.9120651008840491
Energy: 0.8549768198344966
Energy: 0.8419369586699623
Energy: 0.8929637925201048
Energy: 0.8417576032633622
Energy: 0.8546239947762361
Energy: 0.884451037618185
Energy: 0.8411881246947105
Energy: 0.8249352899460874
Energy: 0.9508905572300583
Energy: 0.8469121874974154
Energy: 0.8469075008504627
Energy: 0.8747980823928057
Energy: 0.8455332022215936
Energy: 0.8717637802043602
Energy: 0.8683319119402333
Energy: 0.80061629871924
Energy: 0.8537957519620593
Energy: 0.8745804995038637
Energy: 0.8001624002334229
Energy: 0.8715557015117461
Energy: 0.8081597072105173
Energy: 0.8201554070798842
Energy: 0.8289083777492658
Energy: 0.8076807128232748
Energy: 0.808679082769203
Energy: 0.821461235832334
Energy: 0.808820817703025
Energy: 0.8285676422141742
Energy: 0.8302276125943308
Energy: 0.8260402308590771
Energy: 0.8292904542615143
Energy: 0.8299857202941444
Energy: 0.810243223599715
Energy: 0.8231117278580237
Energy: 0.8264081061798938
Energy: 0.810623122616631
Energy: 0.8198756696499326
Energy: 0.8256222626327204
Energy: 0.7980167314110399
Energy: 0.8588134753013686
Energy: 0.858548868074864
Energy: 0.7979950849186676
Energy: 0.8587831809092389
Energy: 0.7991827379945327
Energy: 0.8276986074459328
Energy: 0.8108244550464265
Energy: 0.870697071541365
Energy: 0.8423909139254581
Energy: 0.8092470245718955
Energy: 0.8492504785966113
Energy: 0.9522473000761802
Energy: 0.8592760133769282
Energy: 0.8077616349509906
Energy: 0.8606200935927828
Energy: 0.8690301863415238
Energy: 0.8139611673985467
Energy: 1.0802175268409557
Energy: 0.8596617077896253
Energy: 0.8081177550100433
Energy: 0.8616229462054785
Energy: 0.869566330181685
Energy: 0.8285473153909682
Energy: 0.8158546870797879
Energy: 0.8106772527258495
Energy: 0.8463077995876166
Energy: 0.8458582139444144
Energy: 0.8115928910752409
Energy: 0.8512985785931982
Energy: 0.8125992457223584
Energy: 0.8450318971636795
Energy: 0.8238618415264031
Energy: 0.8208019612205457
Energy: 0.846772593896972
Energy: 0.8216590537587725
Energy: 0.826778786143364
Energy: 0.8368944648555103
Energy: 0.8379076552257488
Energy: 0.8282938843675717
Energy: 0.8366257085630111
Energy: 0.8417395698641127
Energy: 0.8246993104583944
Energy: 0.8487656989355576
Energy: 0.8490770318567887
Energy: 0.8232219349280983
Energy: 0.8112232457049925
Energy: 0.8495311674763528
Energy: 0.8289316856023191
Energy: 0.8170393386319044
Energy: 0.819006069836665
Energy: 0.7929125299769237
Energy: 0.8400636336575005
Energy: 0.82010920098093
Energy: 0.9101355413109941
Energy: 0.8426567224606916
Energy: 0.8338688440897316
Energy: 0.8591851784199611
Energy: 0.8423497779222775
Energy: 0.8424038145550121
Energy: 1.0227574193365732
Energy: 0.8628804795020074
Energy: 0.8364964506064794
Energy: 0.8482399196413376
Energy: 0.8559596784348369
Energy: 0.8179413259757103
Energy: 0.8032839787619153
Energy: 0.8235840249652009
Energy: 0.8394384202465004
Energy: 0.8661626063718918
Energy: 0.8152610172563384
Energy: 0.8533459008597808
Energy: 0.8406491197849121
Energy: 0.874219901578401
Energy: 0.8739192272063623
Energy: 0.8409589590702262
Energy: 0.8748184676461038
Energy: 0.8105476550310908
Energy: 0.8452394406743831
Energy: 0.8248220952190596
Energy: 0.8214962439963966
Energy: 0.8464339079164782
Energy: 0.7973897704386315
Energy: 0.820223887115135
Energy: 0.8158277444165601
Energy: 0.822307884831305
Energy: 0.8031707254004378
Energy: 0.8266674337720697
Energy: 0.8188888056250283
Energy: 0.8000672550132834
Energy: 0.7988496350205887
Energy: 0.8266154381399479
Energy: 0.8278620073728838
Energy: 0.8522081504676827
Energy: 0.8287078260535264
Energy: 0.8510467534171483
Energy: 0.8450466182040228
Energy: 0.8212105514416455
Energy: 0.8499356851490069
Energy: 0.8029131668871322
Energy: 0.8205708101014474
Energy: 0.8596004491265086
Energy: 0.9113974645922519
Energy: 0.8469337451124819
Energy: 0.8466133115764278
Energy: 0.8342910562541042
Energy: 0.851289604894326
Energy: 0.8465278749552712
Energy: 0.9692232734210792
Energy: 0.8487073642089261
Energy: 0.8190985511836318
Energy: 0.9403300073868047
Energy: 0.8591441148601355
Energy: 0.8332566451321418
Energy: 0.8932971484769764
Energy: 0.8437681975568924
Energy: 0.8444598578728374
Energy: 0.9400485248210226
Energy: 0.8605838873829897
Energy: 0.8335919882358497
Energy: 0.8973489070337893
Energy: 0.8466860546712264
Energy: 0.8466024439784546
Energy: 0.8465217759324174
Energy: 0.858342034553726
Energy: 0.8476838776774346
Energy: 1.1413547288153014
Energy: 0.7974949503655755
Energy: 0.8315414982457044
Energy: 0.8810559344717903
Energy: 0.7973645500809439
Energy: 0.7891333457632034
Energy: 0.8106120482088248
Energy: 0.8172174815532512
Energy: 0.8166510426944998
Energy: 0.8110935930438296
Energy: 0.8108622182184991
Energy: 0.8224902709468989
Energy: 0.8088166425167225
Energy: 0.824403720823503
Energy: 0.8220435383421327
Energy: 0.8263535905702081
Energy: 0.8253435378740308
Energy: 0.8267217726073028
Energy: 0.8085970238386854
Energy: 0.8283941222300708
Energy: 0.8291282743184527
Energy: 0.8088286656314142
Energy: 0.8204855462843481
Energy: 0.8292824887124831
Energy: 0.8067613103048191
Energy: 0.8508357422088171
Energy: 0.8538378784397022
Energy: 0.8073316356000753
Energy: 0.858927144361544
Energy: 0.8533528655452413
Energy: 0.8211527935257357
Energy: 0.8586145031981817
Energy: 0.8587220824026837
Energy: 0.8905229288252905
Energy: 0.8654700313716471
Energy: 0.844320272488269
Energy: 0.8194179326718259
Energy: 0.8286728154459746
Energy: 0.8317058772600616
Energy: 0.8241523791357996
Energy: 0.882938850830168
Energy: 0.8278117125731593

minimum gb energy = 0.7891333457632034 eV
minimum distance =  2.33716868721932 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.405549466255935
Energy: 0.8479675434552426
Energy: 0.7487481391550482
Energy: 0.7483185082370967
Energy: 0.8123585403008101
Energy: 0.8312787867968283
Energy: 0.8379279836645359
Energy: 0.8029153028554139
Energy: 0.802317534731577
Energy: 0.7962405208397338
Energy: 0.8025787377567427
Energy: 0.8027194041249766
Energy: 0.9317455130305069
Energy: 0.8332180020254831
Energy: 0.8303677304911452
Energy: 0.8110840054212153
Energy: 0.8325174185806211
Energy: 0.9516971957306528
Energy: 0.8815668008404668
Energy: 0.8325574858316512
Energy: 0.9055372102821772
Energy: 0.8817127112156462
Energy: 0.8324923339307556
Energy: 0.8146642785865671
Energy: 0.8828360035187275
Energy: 0.8921491358436365
Energy: 0.891398410063467
Energy: 0.8839250138001337
Energy: 0.8929496279678917
Energy: 0.8906591047905087
Energy: 0.8823397339322621
Energy: 0.8855728581330528
Energy: 0.8856871290953237
Energy: 0.8914061688092816
Energy: 0.8866334757014726
Energy: 0.8868477815561734
Energy: 0.8521513658624266
Energy: 0.9399881440719138
Energy: 0.8563214584061082
Energy: 0.8402414575952447
Energy: 0.9831033737870332
Energy: 0.8859882783677602
Energy: 0.8375189124724269
Energy: 0.9744665729178826
Energy: 1.0694759294764866
Energy: 0.8175780066271843
Energy: 0.9598752991317099
Energy: 0.8178408029378186
Energy: 0.8527986616521565
Energy: 0.8778417782704891
Energy: 0.856954926421469
Energy: 0.8253068673859593
Energy: 0.8801638027217957
Energy: 0.8303081475281585
Energy: 0.9836066813785234
Energy: 0.7894907216982465
Energy: 0.7894236465553407
Energy: 0.9752951435017572
Energy: 0.7519642186827196
Energy: 0.7513405527179605
Energy: 0.8748851874907534
Energy: 0.7893735247510336
Energy: 0.789380418419746
Energy: 0.8368189883449993
Energy: 0.7501907623240034
Energy: 0.8310462290175699
Energy: 0.8288187305275692
Energy: 0.9553151843087745
Energy: 0.9625078312136055
Energy: 0.827619559900409
Energy: 0.884987596347751
Energy: 0.8787122765570633
Energy: 0.8288960278216376
Energy: 0.9054142344200619
Energy: 0.9289927375879586
Energy: 0.8323211543634308
Energy: 0.9058338569854552
Energy: 0.8307181071942322
Energy: 0.8844648489043618
Energy: 0.8847754216914862
Energy: 0.8859955789163384
Energy: 0.8979283318237724
Energy: 0.885222922256637
Energy: 0.8865835184512791
Energy: 0.886044407981228
Energy: 0.9782133359520585
Energy: 0.8792384785908969
Energy: 0.8796437868619175
Energy: 0.8855795695860366
Energy: 0.8801736443703403
Energy: 0.9845696235747985
Energy: 0.8805011810650517
Energy: 0.8792081282753416
Energy: 0.9474639858226235
Energy: 0.8804275507440069
Energy: 0.8789075141761127
Energy: 0.9828903718555161
Energy: 0.8171749196895157
Energy: 0.8168003921471586
Energy: 0.9831658107161897
Energy: 0.8174539179075291
Energy: 0.8164245439549862
Energy: 0.9726710804154208
Energy: 0.9134677529321438
Energy: 0.9133317773827712
Energy: 1.0643777311810476
Energy: 0.8533663486722093
Energy: 0.9137864804134699
Energy: 0.8894212774661143
Energy: 0.8561990323285409
Energy: 0.7513937297663259
Energy: 0.7501406389625093
Energy: 0.8690922516078311
Energy: 0.7515177382738965
Energy: 0.752744189458076
Energy: 0.8564651369200587
Energy: 0.7513339423821308
Energy: 0.7495021630386755
Energy: 0.9363681676755002
Energy: 0.7516112259516139
Energy: 0.8535111822431353
Energy: 0.8771511191954589
Energy: 0.9400255722893314
Energy: 0.9437135829984913
Energy: 0.9142764719125481
Energy: 0.9382570995290566
Energy: 0.8816129471175123
Energy: 0.8328520131678853
Energy: 0.8324153965912728
Energy: 0.9027363085697866
Energy: 0.8320667504861382
Energy: 0.8320800834896358
Energy: 0.8807767745616643
Energy: 0.8905288604996103
Energy: 0.8904910401460197
Energy: 0.8813396324577488
Energy: 0.8906239689110719
Energy: 0.880184694891778
Energy: 0.8817103400308463
Energy: 0.8798735680789523
Energy: 0.87993680290471
Energy: 0.8803105070102899
Energy: 0.8822368893622118
Energy: 0.8806744855071309
Energy: 0.8826888483096168
Energy: 0.9304766407312675
Energy: 0.8875772552293101
Energy: 0.8843734307883249
Energy: 0.8871760672231582
Energy: 0.886253948159198
Energy: 0.9589371909291421
Energy: 0.9881666563484357
Energy: 0.9755985394672944
Energy: 0.8175749534398548
Energy: 0.9883446345465149
Energy: 0.9343206384519952
Energy: 0.9565711180055327
Energy: 0.979014930553557
Energy: 0.9351632597433904
Energy: 0.8164133639852792
Energy: 0.9813632922140201
Energy: 1.004819221117984
Energy: 0.8719213240368862
Energy: 0.7497515733241776
Energy: 0.8335618157827436
Energy: 0.8622167287205088
Energy: 0.8023141536044976
Energy: 0.831157767761625
Energy: 0.8817378957299106
Energy: 0.7500109518186083
Energy: 0.7506297770318425
Energy: 0.8761806943405496
Energy: 0.7897112119326978
Energy: 0.7896422818468397
Energy: 0.8620421977878019
Energy: 0.8773027566770191
Energy: 0.8991693584330412
Energy: 0.8252878535671601
Energy: 0.907703419000083
Energy: 0.8497052285387874
Energy: 0.8287416985500807
Energy: 0.9119404443073715
Energy: 0.8964923421456671
Energy: 0.8326480555002705
Energy: 0.9874597926690972
Energy: 0.8322572246742124
Energy: 0.8567168888710094
Energy: 0.878121969985305
Energy: 0.90080131532367
Energy: 0.8389510075833675
Energy: 0.8778375445132752
Energy: 0.8565426791495943
Energy: 1.0101710283751715
Energy: 0.8811600472277039
Energy: 0.8832608274068553
Energy: 0.8926582946872443
Energy: 0.8809583134851595
Energy: 0.8803862856987654
Energy: 1.0097883495837217
Energy: 0.8891820622168763
Energy: 0.8927729772885343
Energy: 0.8944188467692615
Energy: 0.8927975321115207
Energy: 0.8905043122401761
Energy: 1.0089451714244646
Energy: 0.8029561413338245
Energy: 0.8937630324337492
Energy: 1.0094967234911507
Energy: 0.8161004482028886
Energy: 0.860770943403117
Energy: 1.0432716048199528
Energy: 0.8169485450282749
Energy: 0.8171265434584183
Energy: 0.9268149243293742
Energy: 0.8176407329859131
Energy: 0.9972823080050628
Energy: 1.0763347352907275
Energy: 0.8036956096932308
Energy: 0.8025741432271264
Energy: 0.8592026516785287
Energy: 0.8022793421289215
Energy: 0.8026022847667938
Energy: 0.9776116407588447
Energy: 0.8110454907036635
Energy: 0.7491172049099116
Energy: 0.7501966343538721
Energy: 0.8129664314803557
Energy: 0.8296768282411672

minimum gb energy = 0.7483185082370967 eV
minimum distance =  2.33716821216138 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.3850768375557232
Energy: 0.892792434051227
Energy: 0.8331734769279684
Energy: 0.9280993496469832
Energy: 1.0019494471504788
Energy: 0.9281120903043651
Energy: 0.8452029886476423
Energy: 0.823545517997983
Energy: 0.8223318433907681
Energy: 0.8232661602111238
Energy: 0.8137923763551145
Energy: 0.7945848262070843
Energy: 0.772297157594509
Energy: 0.831940468854726
Energy: 0.8395823334305419
Energy: 0.9189593477879708
Energy: 0.8533044798463567
Energy: 0.8647039507719382
Energy: 0.7859772541970038
Energy: 0.8521160015887785
Energy: 0.8259086748781507
Energy: 0.7860179610494334
Energy: 0.852266755275759
Energy: 0.8260373112429537
Energy: 0.7857928360683982
Energy: 0.8018455264098417
Energy: 0.8019598087585915
Energy: 0.785920266846824
Energy: 0.8015778415494635
Energy: 0.8008546745504038
Energy: 0.785592038087016
Energy: 0.8018494261205351
Energy: 0.8025239234294491
Energy: 0.8013724469240543
Energy: 0.8040148095047894
Energy: 0.8026705901123907
Energy: 0.7763590858912227
Energy: 0.7860845885949548
Energy: 0.7861391631911095
Energy: 0.8167819006479312
Energy: 0.7861037314264226
Energy: 0.7904684429162795
Energy: 0.8531058809581021
Energy: 0.8259096211333209
Energy: 0.8391630160625043
Energy: 0.8308869700690752
Energy: 0.8256853584049866
Energy: 0.8261859536165729
Energy: 0.7763947455063483
Energy: 0.8259903886231384
Energy: 0.8254110715103867
Energy: 0.7825523174202815
Energy: 0.7867390151555876
Energy: 0.8391140030919622
Energy: 0.776861329099122
Energy: 0.8865974322312133
Energy: 0.8830646998114131
Energy: 0.8645170804574347
Energy: 0.8706230010563097
Energy: 0.883511428169498
Energy: 0.7938085119439642
Energy: 0.8470010812988532
Energy: 0.8245603769355007
Energy: 0.8059073168340747
Energy: 0.8273653073156964
Energy: 0.8193766334276229
Energy: 0.7808475625305769
Energy: 0.8589970249965755
Energy: 0.8588435293371829
Energy: 0.7989589529795933
Energy: 0.8230191149109396
Energy: 0.8701233500887238
Energy: 0.7811673866444273
Energy: 0.8373094009028745
Energy: 0.883226979997637
Energy: 0.8666307691445834
Energy: 0.8367201750547445
Energy: 0.8837845032996744
Energy: 0.794034821185546
Energy: 0.8299400230716549
Energy: 0.819854943258891
Energy: 0.8118212063526509
Energy: 0.7862681951290694
Energy: 0.8199333757021117
Energy: 0.793326001377197
Energy: 0.8144821828199691
Energy: 0.83850507676851
Energy: 0.8197806148158859
Energy: 0.7997141578019169
Energy: 0.8185938285688158
Energy: 0.7969859354921989
Energy: 0.8268714666275998
Energy: 0.8160737222842239
Energy: 0.7957122964350951
Energy: 0.8041522126799091
Energy: 0.8179444193703359
Energy: 0.7969844681729896
Energy: 0.8394862738171078
Energy: 0.8391802482940273
Energy: 0.7972641770717783
Energy: 0.8136626308108029
Energy: 0.7981392988876284
Energy: 0.8283967722022563
Energy: 0.8157085983440617
Energy: 0.8160883261671016
Energy: 0.8012127410138293
Energy: 0.8268480999535767
Energy: 0.8259333665780695
Energy: 0.7755992659005759
Energy: 0.8562407285756628
Energy: 0.8494696400589059
Energy: 0.8609255378035874
Energy: 0.8565191161493341
Energy: 0.8703173922427477
Energy: 0.7748925415997374
Energy: 0.8561101932582112
Energy: 0.8502502984873694
Energy: 0.8608612352964514
Energy: 0.8557838220815397
Energy: 0.8707743052556726
Energy: 0.8282943631081281
Energy: 0.7916808870255702
Energy: 0.8326188051171189
Energy: 0.8028540897879738
Energy: 0.7924513754590067
Energy: 0.8328801201283659
Energy: 0.8607614510372894
Energy: 0.8037187537334624
Energy: 0.8038768744480924
Energy: 0.8607726680964057
Energy: 0.844436481448606
Energy: 0.8036660096769198
Energy: 0.8642481973346082
Energy: 0.7922389192514834
Energy: 0.830084852479713
Energy: 0.791787154607606
Energy: 0.8201798536810412
Energy: 0.8141769866767878
Energy: 0.9153533596679527
Energy: 0.798320757223185
Energy: 0.8365802755226287
Energy: 0.8344790925093544
Energy: 0.901749348373292
Energy: 0.825843835021784
Energy: 0.8496331134723751
Energy: 0.7976771188434142
Energy: 0.835884860433868
Energy: 0.8336855489074507
Energy: 0.7959768810112825
Energy: 0.8390949227920808
Energy: 0.8370449211960258
Energy: 0.8185675526466689
Energy: 0.8196170159534268
Energy: 0.8182792709146012
Energy: 0.813482221102159
Energy: 0.8193847633665504
Energy: 0.8369034085012775
Energy: 0.818849338591691
Energy: 0.8190921359207435
Energy: 0.817997507924241
Energy: 0.8198063366544137
Energy: 0.8189176855793029
Energy: 0.8502416789946456
Energy: 0.8102118406943744
Energy: 0.8163263651428482
Energy: 0.823357477340457
Energy: 0.7966584088882582
Energy: 0.8295462345385777
Energy: 0.9468320099878471
Energy: 0.825547494742436
Energy: 0.8262419207963694
Energy: 0.906910967475133
Energy: 0.8296746969104327
Energy: 0.8262704845935043
Energy: 0.8229134660647247
Energy: 0.8224093048871173
Energy: 0.8220811340380307
Energy: 0.8245903146171718
Energy: 0.8145718785812224
Energy: 0.7912755401925939
Energy: 0.7730543529019916
Energy: 0.893743493284583
Energy: 0.8685636961040059
Energy: 0.8051965795533929
Energy: 0.8935878561879257
Energy: 0.8701274429156247

minimum gb energy = 0.772297157594509 eV
minimum distance =  2.24543811570442 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.9556345712576989
Energy: 0.8230123718032948
Energy: 0.8230956851587795
Energy: 0.7785646521401444
Energy: 0.9126049451010014
Energy: 0.8225549028662574
Energy: 0.7641120560599179
Energy: 0.8445618042759264
Energy: 0.8109868569422372
Energy: 0.8115240325139949
Energy: 0.8101340527329032
Energy: 0.7853439092492595
Energy: 0.7886906486229531
Energy: 0.7406042977181068
Energy: 0.7406129923181705
Energy: 0.8017066146720333
Energy: 0.7730314470993126
Energy: 0.7411226537676674
Energy: 0.7951121789142254
Energy: 0.7727452910283044
Energy: 0.740232189720861
Energy: 0.7940378878920102
Energy: 0.7727594225571291
Energy: 0.802868926145318
Energy: 0.7935488185352485
Energy: 0.777010912617683
Energy: 0.7799075913948055
Energy: 0.7938519187793683
Energy: 0.7782007947737261
Energy: 0.7800080085735189
Energy: 0.763726719867017
Energy: 0.7778244706544527
Energy: 0.7778003900310766
Energy: 0.7776047933049266
Energy: 0.7768494985635653
Energy: 0.7772229819163079
Energy: 0.8035562132357856
Energy: 0.7948290699487431
Energy: 0.7948357985427892
Energy: 0.7971196147637816
Energy: 0.7950072725553853
Energy: 0.8016327300037909
Energy: 0.7922652989213267
Energy: 0.7975897976203434
Energy: 0.8047092108873636
Energy: 0.7776193496690177
Energy: 0.8044344830169643
Energy: 0.8040555362395998
Energy: 0.8038156206545948
Energy: 0.8445742591112566
Energy: 0.8432182183089968
Energy: 0.8071657112600547
Energy: 0.8422231955003625
Energy: 0.8465448543473759
Energy: 0.932548566368531
Energy: 0.8158508812292816
Energy: 0.8152621030971483
Energy: 0.9333628453542164
Energy: 0.8158350667649988
Energy: 0.8153959706498901
Energy: 0.8554560662754027
Energy: 0.8152183572382838
Energy: 0.77038237472223
Energy: 0.8073803982622635
Energy: 0.7797163974389806
Energy: 0.8018998809392002
Energy: 0.7640396534312542
Energy: 0.8122632821892335
Energy: 0.8012889633487528
Energy: 0.7401833745105348
Energy: 0.8103429644729241
Energy: 0.8550578774213276
Energy: 0.7643068706220777
Energy: 0.802485557121095
Energy: 0.8149258833627356
Energy: 0.8819447900080251
Energy: 0.7998780152422419
Energy: 0.8148774299689153
Energy: 0.8545447256832723
Energy: 0.7852131490802979
Energy: 0.7851888958005769
Energy: 0.8110178234960982
Energy: 0.8097652785788281
Energy: 0.7873008676184452
Energy: 0.7948355291533424
Energy: 0.7414658434702109
Energy: 0.7418851585614865
Energy: 0.7830455763436011
Energy: 0.7407117129368226
Energy: 0.7894680241085761
Energy: 0.7941500467601676
Energy: 0.777845363152769
Energy: 0.7816749038767187
Energy: 0.793978990548799
Energy: 0.7705692066220171
Energy: 0.7824504090145328
Energy: 0.7937731986200085
Energy: 0.7778471784458043
Energy: 0.7771752736491829
Energy: 0.7834042853359325
Energy: 0.7773186369559383
Energy: 0.7768157618663108
Energy: 0.7939705687426647
Energy: 0.7780343886476657
Energy: 0.7795404469754059
Energy: 0.777996668972811
Energy: 0.7709208748929807
Energy: 0.7794885865595138
Energy: 0.8040546834194805
Energy: 0.8003863386089842
Energy: 0.7995338200963951
Energy: 0.7702911743767591
Energy: 0.7993900586488538
Energy: 0.7803844904150611
Energy: 0.8037657020838206
Energy: 0.8005023647786169
Energy: 0.8042837093986616
Energy: 0.8026350951409643
Energy: 0.8005936566085227
Energy: 0.779982750220212
Energy: 0.8064147227137379
Energy: 0.8446329047786
Energy: 0.7948820578470867
Energy: 0.8092227240657034
Energy: 0.7949947501640081
Energy: 0.7772405043212971
Energy: 0.9376947628475575
Energy: 0.8154984599582056
Energy: 0.8153024436167343
Energy: 0.9374484191562508
Energy: 0.8159358909621871
Energy: 0.8483215178728993
Energy: 0.8517211701910378
Energy: 0.8435880965834707
Energy: 0.7945998067384274
Energy: 0.8078281432817876
Energy: 0.8549785750920305
Energy: 0.7847659909736557
Energy: 0.764094747812332
Energy: 0.8019727721448127
Energy: 0.8149910486200815
Energy: 0.8823896076622046
Energy: 0.8010428280672994
Energy: 0.8148638011096688

minimum gb energy = 0.7401833745105348 eV
minimum distance =  2.2785924839362 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.6954894772922885
Energy: 0.9085041073377536
Energy: 0.8887444361243066
Energy: 0.7611063646407141
Energy: 0.8142793076765913
Energy: 0.7609017908216373
Energy: 0.7290496156681849
Energy: 0.8173123418670658
Energy: 0.7907077314639641
Energy: 0.8103309506994921
Energy: 0.8025166760213279
Energy: 0.7290856974066106
Energy: 0.8075853717377466
Energy: 0.6942021422816766
Energy: 0.6961621079639998
Energy: 0.8052537281073117
Energy: 0.6941304123004594
Energy: 0.6951521353888981
Energy: 0.8048315552686094
Energy: 0.6941638376955283
Energy: 0.6962679130204352
Energy: 0.8047765093384764
Energy: 0.6942121455723357
Energy: 0.8048786717365536
Energy: 0.8058786299288567
Energy: 0.7248834128456749
Energy: 0.701662187007042
Energy: 0.8067207745706175
Energy: 0.7137200698924235
Energy: 0.7013687122031851
Energy: 0.7296089951307656
Energy: 0.7024467837172067
Energy: 0.7021856807642064
Energy: 0.6978064625154029
Energy: 0.7103987028517196
Energy: 0.6969466848935619
Energy: 0.7104007361292642
Energy: 0.710601657802724
Energy: 0.710483792424142
Energy: 0.7207274603761297
Energy: 0.7108810080916173
Energy: 0.7068991974734583
Energy: 0.7105760696706396
Energy: 0.7002929805604963
Energy: 0.7129171098693005
Energy: 0.7005410637064955
Energy: 0.7001187924460996
Energy: 0.7122801987348553
Energy: 0.7125258629047078
Energy: 0.700706593732419
Energy: 0.7001706400975516
Energy: 0.7110029135947046
Energy: 0.6998350886426603
Energy: 0.7112116306284456
Energy: 0.7102083980943655
Energy: 0.7011599126110357
Energy: 0.701194015560893
Energy: 0.710127167299123
Energy: 0.7014428433790594
Energy: 0.7015358224561334
Energy: 0.7131865612907655
Energy: 0.7014212778908601
Energy: 0.7015174374475046
Energy: 0.7204290169549653
Energy: 0.8057696126963793
Energy: 0.7016128137946765
Energy: 0.8029124255884081
Energy: 0.8049520917751141
Energy: 0.8049607304782311
Energy: 0.8006576999753304
Energy: 0.8050862095086548
Energy: 0.8054118887663123
Energy: 0.8037143128375985
Energy: 0.7902957601899416
Energy: 0.7897228042392722
Energy: 0.7252296329794716
Energy: 0.8001668580006125
Energy: 0.7767344308886162
Energy: 0.8142149381902223
Energy: 0.8007486894003621
Energy: 0.7902126710573879
Energy: 0.803032954064848
Energy: 0.8078286438557404
Energy: 0.7289012152575357
Energy: 0.9569439749084535
Energy: 0.7984978974307109
Energy: 0.7979162298883725
Energy: 0.9560660298107856
Energy: 0.7981903160655753
Energy: 0.8160616707094479
Energy: 0.8380337547237067
Energy: 0.8025312331453335
Energy: 0.719759969447871
Energy: 0.8165100263743535
Energy: 0.8103682731340774
Energy: 0.7773208092985455
Energy: 0.8763142493535918
Energy: 0.7903031985031895
Energy: 0.8661355061473907
Energy: 0.7191495954716194
Energy: 0.8244410370738275
Energy: 0.8665564753262652

minimum gb energy = 0.6941304123004594 eV
minimum distance =  2.35025252075901 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.6451763849774113
Energy: 0.8607445355577604
Energy: 0.7196486960407773
Energy: 0.6987271186890146
Energy: 0.7808656734096749
Energy: 0.7198657860874629
Energy: 0.7037911806959096
Energy: 0.753435405394032
Energy: 0.7523589693890871
Energy: 0.772047182180183
Energy: 0.7524549580056262
Energy: 0.6589274307539261
Energy: 0.9346103951905007
Energy: 0.6508389601394949
Energy: 0.6614749466509298
Energy: 0.7717389174480082
Energy: 0.6510897963487873
Energy: 0.6618551843636573
Energy: 0.7734748586901742
Energy: 0.6626494139319848
Energy: 0.6619131084746896
Energy: 0.7743222318335274
Energy: 0.6624449571803109
Energy: 0.6860959926471826
Energy: 0.6826723314609999
Energy: 0.6604986185874844
Energy: 0.6619256498872231
Energy: 0.683408202369333
Energy: 0.6809138566405056
Energy: 0.6589038604410734
Energy: 0.6216901835907328
Energy: 0.6600491400338425
Energy: 0.6494076062889093
Energy: 0.6505031650559802
Energy: 0.6739534157883399
Energy: 0.6496599880937133
Energy: 0.632175191087643
Energy: 0.6747233593638137
Energy: 0.6741082734966859
Energy: 0.6486261850618731
Energy: 0.6765573056985517
Energy: 0.6595512573226363
Energy: 0.6321367878567791
Energy: 0.6343244520149873
Energy: 0.6423825505591495
Energy: 0.6529741343440508
Energy: 0.6344976958027784
Energy: 0.6426386514790492
Energy: 0.6332067407179527
Energy: 0.6421292053331012
Energy: 0.6444602344128341
Energy: 0.6343545946828999
Energy: 0.6432592745989683
Energy: 0.6332542684302911
Energy: 0.6332987061978965
Energy: 0.6368199830338168
Energy: 0.6364888827922152
Energy: 0.6327896978303347
Energy: 0.6376845362765902
Energy: 0.6366346968291285
Energy: 0.6467020641265259
Energy: 0.6439198248474592
Energy: 0.637112698749367
Energy: 0.6370619470025305
Energy: 0.6333112059692841
Energy: 0.6368913186029322
Energy: 0.634864581707127
Energy: 0.6332966331182746
Energy: 0.6332076862167
Energy: 0.6437520686864203
Energy: 0.63666578077385
Energy: 0.6434325665737624
Energy: 0.6449965174724591
Energy: 0.6439687879816393
Energy: 0.6432250239680879
Energy: 0.6422695856086564
Energy: 0.643736901310863
Energy: 0.6422847838185047
Energy: 0.6747970499288205
Energy: 0.6493611936219251
Energy: 0.6461705336726682
Energy: 0.6747729452604818
Energy: 0.6485010827710637
Energy: 0.6739888153761697
Energy: 0.6737395455159563
Energy: 0.6433292032099761
Energy: 0.6431844816202089
Energy: 0.6738147846210065
Energy: 0.6433858044802304
Energy: 0.6594231955816912
Energy: 0.7766788414044534
Energy: 0.6834971403123007
Energy: 0.6592972192618304
Energy: 0.6810607832447306
Energy: 0.7720955586931654
Energy: 0.6605558544335874
Energy: 0.6320954079960285
Energy: 0.7715316486637096
Energy: 0.7716930703607744
Energy: 0.680375310656351
Energy: 0.7713571933097215
Energy: 0.6605796333119732
Energy: 0.6845483332729098
Energy: 0.7520609321722783
Energy: 0.738050701279916
Energy: 0.6911009537579863
Energy: 0.7718412720142135
Energy: 0.6610371213244347
Energy: 0.8602921647857814
Energy: 0.7730027339719666
Energy: 0.7063888239905141
Energy: 0.7726403838496531
Energy: 0.6809684873629223
Energy: 0.6615506321850533
Energy: 0.9311643413119635
Energy: 0.681989819250888
Energy: 0.6740900193383039
Energy: 0.7755739939841809
Energy: 0.6814706016212586
Energy: 0.7571230647922559
Energy: 0.8949958999985993
Energy: 0.7385636713434345
Energy: 0.7517053585383843
Energy: 0.7739762454912201
Energy: 0.7674647730925966
Energy: 0.7525419671468008
Energy: 0.6411341575838075
Energy: 0.7580210562133665
Energy: 0.8233882562856784
Energy: 0.6914047775610419
Energy: 0.7701078600083293
Energy: 0.6937273165292132
Energy: 0.6438410259724481
Energy: 0.7528034367578568
Energy: 0.7525534519832334
Energy: 0.6451327611771722
Energy: 0.7536735435032914
Energy: 0.8063024734347674
Energy: 0.8956091363244294
Energy: 0.6654026671241208
Energy: 0.7201194783672068
Energy: 0.77266105733805
Energy: 0.6611631481415903
Energy: 0.7198713442864583
Energy: 0.771398225066147
Energy: 0.6511501138071678
Energy: 0.6645382185493327
Energy: 0.7715888585089641
Energy: 0.6511088554448786
Energy: 0.6616798224256049
Energy: 0.7749539775591325
Energy: 0.6828128879559622
Energy: 0.6605104117696671
Energy: 0.7753281403440526
Energy: 0.6829868257459542
Energy: 0.7269836501676837
Energy: 0.62191990424714
Energy: 0.6596404406960449
Energy: 0.6599849403291395
Energy: 0.6504554455746631
Energy: 0.6601224873845515
Energy: 0.6498570981354284
Energy: 0.6728344058015976
Energy: 0.674365923684582
Energy: 0.6746733137009981
Energy: 0.6733702233469826
Energy: 0.6755581758442006
Energy: 0.6744127226973115
Energy: 0.6333637585395806
Energy: 0.644742693131228
Energy: 0.6448409122719175
Energy: 0.6459934029521313
Energy: 0.6737930394718957
Energy: 0.6494627312060935
Energy: 0.6332050950558742
Energy: 0.6344025084324442
Energy: 0.642168470928278
Energy: 0.633305246812213
Energy: 0.6344472560501291
Energy: 0.6421249086872763
Energy: 0.637021896756759
Energy: 0.6396577524283731
Energy: 0.6384846533924884
Energy: 0.633426817390608
Energy: 0.6366862985956817
Energy: 0.6379072874360493
Energy: 0.6334777668628204
Energy: 0.6404276252540878
Energy: 0.6392826481812947
Energy: 0.6425941607950961
Energy: 0.6368854375505729
Energy: 0.6393251501327203
Energy: 0.7002148668999694
Energy: 0.633075753641014
Energy: 0.6330879395224904
Energy: 0.7005770624842473
Energy: 0.6336342340446968
Energy: 0.6330829006549973
Energy: 0.6321268821575557
Energy: 0.6420174081317434
Energy: 0.6425908886958012
Energy: 0.6757192698749359
Energy: 0.6437068549174862
Energy: 0.6463096752321715
Energy: 0.6739148254020124
Energy: 0.6461948370883733
Energy: 0.6457233784657742
Energy: 0.6739149145553315
Energy: 0.647812658989363
Energy: 0.6466972412813574
Energy: 0.6741835800676721
Energy: 0.6427900558988714
Energy: 0.6586783165378698
Energy: 0.6740624763704103
Energy: 0.6426540327219291
Energy: 0.681335199494681
Energy: 0.7784135138550546
Energy: 0.6722711408123477
Energy: 0.6582491462171876
Energy: 0.6839289603360069
Energy: 0.6827679337640761
Energy: 0.6611954106479128
Energy: 0.6312442271563771
Energy: 0.7715598356497819
Energy: 0.7714459364426236
Energy: 0.6903047773978892
Energy: 0.772680038784113
Energy: 0.7711900145192395
Energy: 0.6321558572830707
Energy: 0.7520445637939507
Energy: 0.6734369865200164
Energy: 0.6590772951588336
Energy: 0.7535771815913301
Energy: 0.6590779104049211
Energy: 0.8597321686934745
Energy: 0.7600432574315256
Energy: 0.7186958518687936
Energy: 0.7729101064842687
Energy: 0.7759692294395419
Energy: 0.6829406812325579
Energy: 0.8640231952634515
Energy: 0.6738794097600826
Energy: 0.736828152404048
Energy: 0.7718098630660812
Energy: 0.65975746739037
Energy: 0.7374985471835549
Energy: 0.8937191122142157
Energy: 0.7049536735448872
Energy: 0.7517320403214319
Energy: 0.7734879711176391
Energy: 0.6810288847608542
Energy: 0.719713654861934
Energy: 0.6450401850489884
Energy: 0.753394513660486
Energy: 0.7382867000795236
Energy: 0.6463428572610964
Energy: 0.7795972196993337
Energy: 0.8063364543886381

minimum gb energy = 0.6216901835907328 eV
minimum distance =  2.3378400166602 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.7334964386482387
Energy: 0.809480506415383
Energy: 0.6611554651681657
Energy: 0.642807979410515
Energy: 0.9663253449090239
Energy: 0.6564672752812356
Energy: 0.8252288108032017
Energy: 0.7497940251666666
Energy: 0.7118524516919463
Energy: 0.7331093093951524
Energy: 0.7358759921506616
Energy: 0.6187751863004766
Energy: 0.8689953029942022
Energy: 0.6095130738476029
Energy: 0.6097544215621032
Energy: 0.7382409854035356
Energy: 0.6098164607434141
Energy: 0.6308344827328836
Energy: 0.7356799798917039
Energy: 0.6096811812495031
Energy: 0.6308085904724784
Energy: 0.7356579621601048
Energy: 0.6556744689587781
Energy: 0.6548989824366844
Energy: 0.6743088315988428
Energy: 0.6459717351149423
Energy: 0.6253061402402358
Energy: 0.6744492894214715
Energy: 0.6471949936896236
Energy: 0.6366009290289705
Energy: 0.5694000310420119
Energy: 0.6444645398653729
Energy: 0.6089325562475852
Energy: 0.5892587176854773
Energy: 0.6444822920486011
Energy: 0.6089959738186171
Energy: 0.7385433107443431
Energy: 0.6503686727484695
Energy: 0.6449944951530429
Energy: 0.6067863653539606
Energy: 0.6473132452325249
Energy: 0.6072584812639694
Energy: 0.7833342855090818
Energy: 0.5878725485110765
Energy: 0.5876415388966019
Energy: 0.6082110203555934
Energy: 0.5881489919428047
Energy: 0.5984283033856173
Energy: 0.5990671997678023
Energy: 0.5986706603498422
Energy: 0.6080181403304176
Energy: 0.6002515071052144
Energy: 0.6130772631875603
Energy: 0.5971763173840948
Energy: 0.5969407263858257
Energy: 0.5904272718869995
Energy: 0.5896697686669135
Energy: 0.5971748258639543
Energy: 0.6069188786602746
Energy: 0.5900788621500029
Energy: 0.5933711054157043
Energy: 0.5751234523389177
Energy: 0.5936129728445827
Energy: 0.5801675063348274
Energy: 0.5753040568913048
Energy: 0.5838874960216771
Energy: 0.5998805620016302
Energy: 0.5816549958877748
Energy: 0.5753679044946309
Energy: 0.5952655750256971
Energy: 0.5785721552671458
Energy: 0.5838869348352537
Energy: 0.5754127463884054
Energy: 0.6262291869053743
Energy: 0.6250897450084354
Energy: 0.5828119392249456
Energy: 0.6085880423936874
Energy: 0.6048097213875523
Energy: 0.5756259512703039
Energy: 0.5861706900503929
Energy: 0.5747681976058139
Energy: 0.5769704031924191
Energy: 0.5934636675699709
Energy: 0.5750362248088896
Energy: 0.5749938146187535
Energy: 0.5848397567310945
Energy: 0.5844473329099907
Energy: 0.575017956666465
Energy: 0.6083835711966616
Energy: 0.5849236021042347
Energy: 0.692134751992397
Energy: 0.5972949542793491
Energy: 0.5961019967618485
Energy: 0.5959336549479612
Energy: 0.5969343179666023
Energy: 0.5947836676623178
Energy: 0.608422711962131
Energy: 0.5972476534217033
Energy: 0.5973593997420553
Energy: 0.6108655687701342
Energy: 0.6027576341184754
Energy: 0.6033272399160172
Energy: 0.6076308937401971
Energy: 0.6056090339794915
Energy: 0.606070462206656
Energy: 0.6447381194269023
Energy: 0.6053733525143691
Energy: 0.6033499020688888
Energy: 0.6448061530213922
Energy: 0.6078756973567055
Energy: 0.6446199089789084
Energy: 0.6459194167650593
Energy: 0.6082658706480307
Energy: 0.6446997466032501
Energy: 0.8116363704707417
Energy: 0.5990004752348211
Energy: 0.598696613482552
Energy: 0.6499783577024593
Energy: 0.5992459082873522
Energy: 0.6449499350817525
Energy: 0.810108507401268
Energy: 0.6482702732613094
Energy: 0.6150550011679762
Energy: 0.6481823612562201
Energy: 0.6462963149938671
Energy: 0.6463212144883225
Energy: 0.6358310619003406
Energy: 0.7331928661847373
Energy: 0.6241560981094323
Energy: 0.6010626539530831
Energy: 0.7330125771630143
Energy: 0.6225837120910814
Energy: 0.6543265553095164
Energy: 0.704303407757945
Energy: 0.6807371952833228
Energy: 0.6543103876240336
Energy: 0.7364541295355148
Energy: 0.6750430204255087
Energy: 0.8097599811966246
Energy: 0.6460357588343764
Energy: 0.6231385623615546
Energy: 0.734814052073796
Energy: 0.6492532984492059
Energy: 0.6266255055229546
Energy: 0.8689799117810769
Energy: 0.6285287917871838
Energy: 0.6254021649571423
Energy: 0.7327930829575792
Energy: 0.6234126918799733
Energy: 0.6982820447153397
Energy: 0.8376821325420913
Energy: 0.7189900139490673
Energy: 0.6807754122828018
Energy: 0.738101229733449
Energy: 0.7390457242256925
Energy: 0.6383470406078068
Energy: 0.5800405302429595
Energy: 0.7193225831175089
Energy: 0.630917005419797
Energy: 0.6131476201678245
Energy: 0.7334076439129773
Energy: 0.6304731159477325

minimum gb energy = 0.5694000310420119 eV
minimum distance =  2.3808253468749 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.49404535364755575
Energy: 0.7023910472695449
Energy: 0.5804464081980327
Energy: 0.5395494488879082
Energy: 0.6336269020667665
Energy: 0.563138668030329
Energy: 0.7011630113802809
Energy: 0.6378109461813404
Energy: 0.5221308232774025
Energy: 0.6319560311030301
Energy: 0.6349139737824718
Energy: 0.5204892438211924
Energy: 0.7061397562545173
Energy: 0.5091758697111194
Energy: 0.5226249341404049
Energy: 0.632053961415829
Energy: 0.5105584508991651
Energy: 0.5231070515914512
Energy: 0.6346696723194919
Energy: 0.5224925913392374
Energy: 0.5233577212800873
Energy: 0.6317955160573586
Energy: 0.5414074577873987
Energy: 0.5595191253992979
Energy: 0.5875297389181129
Energy: 0.5578579195667157
Energy: 0.5219585276098622
Energy: 0.5878319503088859
Energy: 0.5662836854236314
Energy: 0.5217055225734948
Energy: 0.4793300094117381
Energy: 0.5647152306517238
Energy: 0.5146290054990365
Energy: 0.49372507623315925
Energy: 0.5644865837943228
Energy: 0.5037119671267992
Energy: 0.634452269140408
Energy: 0.5651644006958746
Energy: 0.5645552763796233
Energy: 0.5063363131391839
Energy: 0.564941185171325
Energy: 0.5053302334493085
Energy: 0.67172497041578
Energy: 0.4907957898760498
Energy: 0.49876095252869834
Energy: 0.5056635036239718
Energy: 0.49089322767911775
Energy: 0.49864090662643
Energy: 0.5269673379151334
Energy: 0.49904473729152604
Energy: 0.5260392260468297
Energy: 0.5283746863094348
Energy: 0.539467265810975
Energy: 0.5252199989324888
Energy: 0.5090318866907086
Energy: 0.5045770336688772
Energy: 0.5013783959004781
Energy: 0.52528022476568
Energy: 0.5021527301247386
Energy: 0.5014361322153571
Energy: 0.5022089162673277
Energy: 0.500214053391413
Energy: 0.4924416633269767
Energy: 0.4840590738080252
Energy: 0.5002892841476041
Energy: 0.4879527314557211
Energy: 0.5254501217830233
Energy: 0.5004116595246911
Energy: 0.5004144527901634
Energy: 0.4975750701380426
Energy: 0.5006332622172044
Energy: 0.49903357221545314
Energy: 0.6510806916582528
Energy: 0.48223657814010984
Energy: 0.48441879559532847
Energy: 0.6530484369509063
Energy: 0.48250181657139357
Energy: 0.48455230842483044
Energy: 0.48514867320357374
Energy: 0.5333014242593384
Energy: 0.4851918369737375
Energy: 0.4866276556246798
Energy: 0.5017041157488438
Energy: 0.4852442258284025
Energy: 0.48528190061891074
Energy: 0.48342921228160185
Energy: 0.4829825218810812
Energy: 0.48521403217645137
Energy: 0.4945803984441602
Energy: 0.4861705529023196
Energy: 0.4789809510615178
Energy: 0.47815784477494305
Energy: 0.48449583083674247
Energy: 0.48206712877558616
Energy: 0.47823373991378176
Energy: 0.48202395339316373
Energy: 0.48805904637320663
Energy: 0.47813726623974656
Energy: 0.47791328077054657
Energy: 0.48370475372667504
Energy: 0.4783112091445793
Energy: 0.4852291807266524
Energy: 0.5672204708615411
Energy: 0.5061938283310429
Energy: 0.49537898954239973
Energy: 0.5677361459324253
Energy: 0.5054152792759381
Energy: 0.4947619514446374
Energy: 0.47813094859884975
Energy: 0.4885371202560683
Energy: 0.47825565081110666
Energy: 0.4789559164760959
Energy: 0.5787834251357344
Energy: 0.47802717210858475
Energy: 0.6459895918524761
Energy: 0.4957810483861052
Energy: 0.4955777794031525
Energy: 0.6475269318528549
Energy: 0.49589257602799286
Energy: 0.5084073803668696
Energy: 0.5027276507805772
Energy: 0.48539979911568587
Energy: 0.48513981576382637
Energy: 0.48953711664492444
Energy: 0.48543820970844215
Energy: 0.490704599903259
Energy: 0.47884726545421763
Energy: 0.48540413004374267
Energy: 0.49234350965157686
Energy: 0.48470511947503875
Energy: 0.4852866426265153
Energy: 0.4846289337549076
Energy: 0.5001704059277816
Energy: 0.4870947065892638
Energy: 0.48680555341679
Energy: 0.5002135205375513
Energy: 0.505932766736208
Energy: 0.4872377954384439
Energy: 0.5003997974103511
Energy: 0.49683299599629366
Energy: 0.5003312725084265
Energy: 0.5019104684573568
Energy: 0.5252019189727631
Energy: 0.5002226360896623
Energy: 0.6587618364212753
Energy: 0.4866361663459795
Energy: 0.49267680671363906
Energy: 0.6609075579135095
Energy: 0.48679996699671885
Energy: 0.49248237213230467
Energy: 0.5647986324325258
Energy: 0.5253878219881443
Energy: 0.5253097098035877
Energy: 0.5012867949890544
Energy: 0.5255641454035695
Energy: 0.5009435269726458
Energy: 0.5133795061351349
Energy: 0.5254128184698107
Energy: 0.5057659471941544
Energy: 0.48882941840569333
Energy: 0.5254084439001694
Energy: 0.4956593204665236
Energy: 0.549320789613186
Energy: 0.5098920862096936
Energy: 0.5062855043777269
Energy: 0.5647048467343238
Energy: 0.5233839201243262
Energy: 0.5065950963177966
Energy: 0.5662848199869082
Energy: 0.5093461671589016
Energy: 0.5650659207132159
Energy: 0.5675090716912229
Energy: 0.5634360577728479
Energy: 0.5646407061769579
Energy: 0.6928735861512835
Energy: 0.49930445662179984
Energy: 0.5094953448136897
Energy: 0.5528623450530603
Energy: 0.4994210822928946
Energy: 0.5092631154259878
Energy: 0.691606512388967
Energy: 0.5556144224849437
Energy: 0.55312173501554
Energy: 0.5524765674346152
Energy: 0.5607130110302571
Energy: 0.5248881464553838
Energy: 0.4856976567346579
Energy: 0.631781317689887
Energy: 0.5333796190980069
Energy: 0.5074360493302293
Energy: 0.6318283708424393
Energy: 0.5163577753717498
Energy: 0.632363056015248
Energy: 0.5671983868318397
Energy: 0.5584838645036995
Energy: 0.5464562907021873
Energy: 0.634012160322273
Energy: 0.5585138105724021
Energy: 0.6902852629582356
Energy: 0.5388278843899255
Energy: 0.538501903380332
Energy: 0.6322344088002079
Energy: 0.5680659880174412
Energy: 0.5909246632234779
Energy: 0.706301564551495
Energy: 0.5237623964502389
Energy: 0.5386803555070632
Energy: 0.6320202086791061
Energy: 0.5268549754592071
Energy: 0.5605161153031064
Energy: 0.7011629960737589
Energy: 0.5992618298145391
Energy: 0.5587428565335665
Energy: 0.63212495613425
Energy: 0.6318299749357587
Energy: 0.558348053456871

minimum gb energy = 0.47791328077054657 eV
minimum distance =  2.38293164243876 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.03204372136934014
Energy: 0.06435586239431575
Energy: 0.03263426168388098
Energy: 0.03389323339413987
Energy: 0.034538233398756356
Energy: 0.03255613579309228
Energy: 0.06588782618933672
Energy: 0.0333187958832976
Energy: 0.03324190817919493
Energy: 0.06563078117425485
Energy: 0.033569455544848824
Energy: 0.0335988956725787
Energy: 0.06485065471023564
Energy: 0.03250483355774267
Energy: 0.032614928996658125
Energy: 0.06482183910412351
Energy: 0.032393132387162564
Energy: 0.06495650061539149
Energy: 0.03327312684725603
Energy: 0.032528396458633604
Energy: 0.032737257376274136
Energy: 0.03329481047107785
Energy: 0.03258738086672176
Energy: 0.06551355752922378
Energy: 0.06497195805113608
Energy: 0.06480126129551796
Energy: 0.06492385501476196
Energy: 0.06610778972682259
Energy: 0.06487300373155395
Energy: 0.06474523739272044
Energy: 0.03313086752051616
Energy: 0.03324757492203835
Energy: 0.03262234341277942
Energy: 0.034399772492709646
Energy: 0.033278975401563125
Energy: 0.03261052793903176
Energy: 0.06484727887577499
Energy: 0.0333533318445597
Energy: 0.03354362273664221
Energy: 0.06459676183687897
Energy: 0.033291974697417334
Energy: 0.03341511129642531
Energy: 0.06492817960430941
Energy: 0.03250549689273717
Energy: 0.03276643572395935
Energy: 0.06472069168625241
Energy: 0.03243544922440368
Energy: 0.0653956071069775
Energy: 0.03441746485097861
Energy: 0.032628990321742914
Energy: 0.06621052506529937
Energy: 0.03465507743703047
Energy: 0.03261357321807585
Energy: 0.06688249046725146
Energy: 0.03241898825423321
Energy: 0.06481862270171626
Energy: 0.06484741817286882
Energy: 0.03283325364696219
Energy: 0.0648652323764642
Energy: 0.0648316958164249

minimum gb energy = 0.03204372136934014 eV
minimum distance =  2.54812855231202 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.599410482502318
Energy: 0.6182858036427731
Energy: 0.5903324193539817
Energy: 0.5827302406052943
Energy: 0.5912076233793688
Energy: 0.5879547221938577
Energy: 0.6116379555157768
Energy: 0.6043233403525728
Energy: 0.6043731998150852
Energy: 0.589087488838589
Energy: 0.6045757242295843
Energy: 0.6043725549626379
Energy: 0.6327571816732928
Energy: 0.577495576348447
Energy: 0.5775261405077418
Energy: 0.6070923211866095
Energy: 0.5776932058605825
Energy: 0.5954032487961322
Energy: 0.5888777867979379
Energy: 0.5780137709976394
Energy: 0.5785336367306512
Energy: 0.5888121646415958
Energy: 0.5343953223941865
Energy: 0.595472819036872
Energy: 0.5360614755847705
Energy: 0.5993012916880174
Energy: 0.5996269847335978
Energy: 0.5359001171501311
Energy: 0.604526485991002
Energy: 0.6043331984185762
Energy: 0.567805334561893
Energy: 0.6022030532469631
Energy: 0.5888708538564897
Energy: 0.5579870404933086
Energy: 0.6004858853215033
Energy: 0.5578138721910522
Energy: 0.5906519819323611
Energy: 0.5440317918593589
Energy: 0.590179811480961
Energy: 0.5906811060757547
Energy: 0.5454196783982884
Energy: 0.5960527827186706
Energy: 0.5882726791301743
Energy: 0.5649419194210556
Energy: 0.5650072598891398
Energy: 0.5883471490929667
Energy: 0.5411541197088886
Energy: 0.5471425111167404
Energy: 0.5914807200934625
Energy: 0.5645597707729316
Energy: 0.5989981298689931
Energy: 0.5962347431595494
Energy: 0.504347758929811
Energy: 0.594109948077027
Energy: 0.5486465368256929
Energy: 0.5447286261298698
Energy: 0.5444743189752099
Energy: 0.5486827137689824
Energy: 0.5459159478145118
Energy: 0.5542431658686484
Energy: 0.5598746252653248
Energy: 0.5716172936041823
Energy: 0.5717293393685203
Energy: 0.5464266066949249
Energy: 0.564836853130906
Energy: 0.5467505120614029
Energy: 0.5101714584330299
Energy: 0.5737318441608535
Energy: 0.5727301278847587
Energy: 0.5104183703607413
Energy: 0.5741201532620173
Energy: 0.5087623394389924
Energy: 0.5083273295273361
Energy: 0.5353316787514152
Energy: 0.5512726968006944
Energy: 0.5084520875880535
Energy: 0.5351656469035974
Energy: 0.5295452740440968
Energy: 0.5493157980843152
Energy: 0.523096015351689
Energy: 0.5507851059367502
Energy: 0.552718827981007
Energy: 0.5229511608570844
Energy: 0.5517092375603213
Energy: 0.5503436522069082
Energy: 0.4847918810114866
Energy: 0.4849806530135603
Energy: 0.5481827281786328
Energy: 0.4859034680590665
Energy: 0.48533023196175484
Energy: 0.5485153043058798
Energy: 0.538058178128881
Energy: 0.54035339008429
Energy: 0.5381549827744292
Energy: 0.5418209698488908
Energy: 0.5399793853444688
Energy: 0.4780622349620831
Energy: 0.5397622563040688
Energy: 0.5394076620904876
Energy: 0.47680904581523514
Energy: 0.5386798134242735
Energy: 0.4749032762957206
Energy: 0.477211652464489
Energy: 0.535616845729008
Energy: 0.5356314930854279
Energy: 0.47686284062661366
Energy: 0.5352997700030542
Energy: 0.5351345068923018
Energy: 0.5411347219162548
Energy: 0.5402378017065081
Energy: 0.5347272913207913
Energy: 0.5352982365323042
Energy: 0.5404744709676901
Energy: 0.5353804905073175
Energy: 0.5406278390475706
Energy: 0.47392216740050885
Energy: 0.4735270970266532
Energy: 0.5413407868664635
Energy: 0.4773911795220308
Energy: 0.47355509610659224
Energy: 0.5405226419662066
Energy: 0.5385262728152708
Energy: 0.5403837077744861
Energy: 0.5408839704298831
Energy: 0.5478004670378916
Energy: 0.5393374043963414
Energy: 0.4942828005395185
Energy: 0.5384559421526095
Energy: 0.5132010490095986
Energy: 0.48535438632266764
Energy: 0.5525120647863282
Energy: 0.4847649307264177
Energy: 0.486820347100586
Energy: 0.5509258664051512
Energy: 0.5511092152487187
Energy: 0.4868102576128939
Energy: 0.5508578273907007
Energy: 0.5512383318490875
Energy: 0.5525375622019544
Energy: 0.5086005539564765
Energy: 0.5505628996954511
Energy: 0.5412001778149377
Energy: 0.5084805651618324
Energy: 0.541118159054947
Energy: 0.5652416241501963
Energy: 0.5094023698678681
Energy: 0.5091305680922273
Energy: 0.5670802306477726
Energy: 0.5102537169962021
Energy: 0.5088196809581399
Energy: 0.5665134729434523
Energy: 0.5561118610752435
Energy: 0.5564399590287924
Energy: 0.5654506921697193
Energy: 0.536306515019309
Energy: 0.5716390458685664
Energy: 0.5463421624427248
Energy: 0.5559571960115653
Energy: 0.5564997317944894
Energy: 0.5464528927749802
Energy: 0.5733559877157077
Energy: 0.5442442072941468
Energy: 0.5205729119800011
Energy: 0.6013960655395442
Energy: 0.6000913434754809
Energy: 0.520575243061893
Energy: 0.5950445613467765
Energy: 0.5998626862740198
Energy: 0.566445532048125
Energy: 0.5857563725590286
Energy: 0.579896513157628
Energy: 0.5504995336539561
Energy: 0.5885690801797274
Energy: 0.5506717136529706
Energy: 0.5437141791064727
Energy: 0.5921022522821044
Energy: 0.5893280211698884
Energy: 0.5437190407713108
Energy: 0.5912263458476055
Energy: 0.5897861364887271
Energy: 0.6004494327397745
Energy: 0.5721747611437016
Energy: 0.5719317074617135
Energy: 0.5999319049071588
Energy: 0.5446741247954494
Energy: 0.5718557682081447
Energy: 0.6338899972582678
Energy: 0.5721344079154285
Energy: 0.6101352826076385
Energy: 0.6039852414796444
Energy: 0.5440507614993165
Energy: 0.599471623459316
Energy: 0.549778986774979
Energy: 0.588919798702106
Energy: 0.5891422381596125
Energy: 0.5498119906987196
Energy: 0.5914761543809207
Energy: 0.5735012947533239

minimum gb energy = 0.4735270970266532 eV
minimum distance =  2.29333981142849 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.7354460386078279
Energy: 0.7290921060421005
Energy: 0.7277581658208891
Energy: 0.7019753659407818
Energy: 0.705340352038766
Energy: 0.7447083566971254
Energy: 0.7229295857589803
Energy: 0.7208644601860082
Energy: 0.7205607397886904
Energy: 0.7204108088495998
Energy: 0.7349486138610616
Energy: 0.7181125349118348
Energy: 0.7571472437478515
Energy: 0.7004990278751206
Energy: 0.7133565177649718
Energy: 0.721053251760271
Energy: 0.7004862090829183
Energy: 0.7134431275309124
Energy: 0.7000989461893036
Energy: 0.7135652975891343
Energy: 0.7138207045767017
Energy: 0.700366415825237
Energy: 0.7015778400299885
Energy: 0.7138121901488848
Energy: 0.6913927088175476
Energy: 0.7345036881778195
Energy: 0.7202319634359021
Energy: 0.6914817270347158
Energy: 0.7360041962601905
Energy: 0.7188761451697077
Energy: 0.6891708640793938
Energy: 0.7092418271803513
Energy: 0.6949122424210032
Energy: 0.6793401171714853
Energy: 0.7067106133442121
Energy: 0.6953085791250674
Energy: 0.6956014650699488
Energy: 0.6925730274278344
Energy: 0.6913889302524784
Energy: 0.6916505717307132
Energy: 0.6904507716854715
Energy: 0.6899923192121874
Energy: 0.6935421540427341
Energy: 0.6765464452842314
Energy: 0.6763319936474184
Energy: 0.691917995432833
Energy: 0.6759534711186034
Energy: 0.6948206167728213
Energy: 0.6914906135980888
Energy: 0.7064909845198314
Energy: 0.7052143494131462
Energy: 0.6978618905735468
Energy: 0.634771284459738
Energy: 0.7086612874792385
Energy: 0.6966690089288305
Energy: 0.6404673432218578
Energy: 0.6354915162410392
Energy: 0.6975631790462712
Energy: 0.6374797515721257
Energy: 0.6357240980128145
Energy: 0.6921003432285505
Energy: 0.678284124599185
Energy: 0.6785672367765267
Energy: 0.6778799532439296
Energy: 0.6793203002440729
Energy: 0.6784498089064561
Energy: 0.6059393047937176
Energy: 0.6801989221025037
Energy: 0.6795906631058852
Energy: 0.6043304718563198
Energy: 0.6811596051363622
Energy: 0.6039987789849897
Energy: 0.604320152684495
Energy: 0.6681556106219976
Energy: 0.6717897254517883
Energy: 0.6044446881766828
Energy: 0.6680949297076793
Energy: 0.6040591891317927
Energy: 0.6751721852678163
Energy: 0.6795275878751907
Energy: 0.6706906106524473
Energy: 0.6683106090440588
Energy: 0.6753949293460852
Energy: 0.6702689186750581
Energy: 0.6752692753570795
Energy: 0.6085256011568895
Energy: 0.6044587243393666
Energy: 0.6760808945795016
Energy: 0.6050696245970577
Energy: 0.603899736700166
Energy: 0.6772483127026756
Energy: 0.6789184506220108
Energy: 0.6813212836643245
Energy: 0.6813293811880514
Energy: 0.6487596837275059
Energy: 0.6789085515597946
Energy: 0.6443440928286149
Energy: 0.6657201362305354
Energy: 0.670009969018088
Energy: 0.63645234660208
Energy: 0.6659759646582989
Energy: 0.636144541026226
Energy: 0.6354022887330473
Energy: 0.7049380986943222
Energy: 0.706737811483744
Energy: 0.6351911138560734
Energy: 0.7045800540218357
Energy: 0.6351885669310344
Energy: 0.6773232995133601
Energy: 0.6937160087293918
Energy: 0.6867047023541832
Energy: 0.6859295779196984
Energy: 0.6910115608646513
Energy: 0.6866937076515177
Energy: 0.6815021088611287
Energy: 0.6912126672352725
Energy: 0.6905689182428795
Energy: 0.6814935485724678
Energy: 0.6930741415601032
Energy: 0.690407357503673
Energy: 0.6902790928843313
Energy: 0.7196824473011885
Energy: 0.7196622536867407
Energy: 0.6899862737718103
Energy: 0.7024146874859157
Energy: 0.7198020661826947
Energy: 0.7572630397692958
Energy: 0.683254363464951
Energy: 0.7195162606183385
Energy: 0.7212989316293844
Energy: 0.6832539103195188
Energy: 0.7196613177465223
Energy: 0.7228547566155002
Energy: 0.6949784910558765
Energy: 0.6939341021424353
Energy: 0.723026362342749
Energy: 0.6935030695321841
Energy: 0.6903006976700965

minimum gb energy = 0.603899736700166 eV
minimum distance =  2.30306315832185 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.852630975401231
Energy: 0.8554628071781368
Energy: 0.8585682057161547
Energy: 0.8214210264766295
Energy: 0.8595383740959109
Energy: 0.8224072039552419
Energy: 0.7991778716750371
Energy: 0.8178353475483574
Energy: 0.8143104173289655
Energy: 0.817662895358311
Energy: 0.817454208626077
Energy: 0.8141633300441402
Energy: 0.8723169396121456
Energy: 0.8020230616313707
Energy: 0.8020429321185322
Energy: 0.8170815977407718
Energy: 0.8020661886533789
Energy: 0.8021488086831553
Energy: 0.8154352148351236
Energy: 0.8041374090551332
Energy: 0.8038116334391185
Energy: 0.8153502917325472
Energy: 0.7523418465328574
Energy: 0.8036740610599097
Energy: 0.7561058176115605
Energy: 0.8119249709232074
Energy: 0.8140219703466742
Energy: 0.7563528299207034
Energy: 0.8191718300422994
Energy: 0.8136993404282739
Energy: 0.7911908778296011
Energy: 0.8119166731608147
Energy: 0.8119767076762401
Energy: 0.7446565920522781
Energy: 0.8038301077328962
Energy: 0.7741481344761452
Energy: 0.7564404117856388
Energy: 0.8145294147546503
Energy: 0.8126893607573553
Energy: 0.7563861251653159
Energy: 0.8131071950161667
Energy: 0.752269290408228
Energy: 0.7567290086030553
Energy: 0.7778174261927984
Energy: 0.7784855121472343
Energy: 0.7568023156624385
Energy: 0.6913920513620196
Energy: 0.7521114461532293
Energy: 0.7700632867732552
Energy: 0.7787292016187385
Energy: 0.7770607869633402
Energy: 0.7716545661363461
Energy: 0.6898967651744823
Energy: 0.7776809653881782
Energy: 0.7733126237104715
Energy: 0.6910843631472944
Energy: 0.6907183275671981
Energy: 0.7744681162226931
Energy: 0.6917652786768824
Energy: 0.6903559916482267
Energy: 0.7720655882453291
Energy: 0.7409689007377951
Energy: 0.7619685530909078
Energy: 0.7613832331048901
Energy: 0.733777372537388
Energy: 0.7627630328244682
Energy: 0.6907085738594406
Energy: 0.7616578637468379
Energy: 0.7619107656554385
Energy: 0.6905180495636648
Energy: 0.7575311594656371
Energy: 0.690635410336187
Energy: 0.6901374682141839
Energy: 0.7767792228359135
Energy: 0.7778780753697613
Energy: 0.6902118247221881
Energy: 0.7780908513508143
Energy: 0.6905265767111739
Energy: 0.774602311803177
Energy: 0.7769434035174235
Energy: 0.7778295374933657
Energy: 0.7580192542421392
Energy: 0.7731646303398926
Energy: 0.7580008903314298
Energy: 0.780503013245552
Energy: 0.7568012472707328
Energy: 0.7520147631047431
Energy: 0.7762065509612921
Energy: 0.7591325981261489
Energy: 0.7520188272536402
Energy: 0.8078600616825531
Energy: 0.790293700807193
Energy: 0.7902310491218723
Energy: 0.8055644278132196
Energy: 0.7066922471250282
Energy: 0.812557424481702
Energy: 0.870692299862436
Energy: 0.7906025105841401
Energy: 0.7904878451758673
Energy: 0.81668217019191
Energy: 0.7066218243449052
Energy: 0.790342909886884
Energy: 0.8496255015270876
Energy: 0.8178771128418169
Energy: 0.8093848677083916
Energy: 0.8187190244510831
Energy: 0.8181169949919148
Energy: 0.8024118769938645
Energy: 0.8017158321294823
Energy: 0.8173452934472826
Energy: 0.82483958490762
Energy: 0.7599834738712475
Energy: 0.8172955709101449
Energy: 0.78859694489911
Energy: 0.7989904314379153
Energy: 0.8177247379366614
Energy: 0.8178854221345325
Energy: 0.7992424045033358
Energy: 0.8191215697587694
Energy: 0.8138460810654717
Energy: 0.8686596071201705
Energy: 0.8036083911598828
Energy: 0.8034394289877905
Energy: 0.8155897431659516
Energy: 0.8080087287451624
Energy: 0.803265967868419
Energy: 0.8165479581724568
Energy: 0.8024208879708009
Energy: 0.8025355635386375
Energy: 0.8163823883399575
Energy: 0.8021392589616259
Energy: 0.8023501772236682
Energy: 0.7566181882324036
Energy: 0.8143171702143779
Energy: 0.8139693983749303
Energy: 0.7558600434600512
Energy: 0.8177123389076045
Energy: 0.8139900247093153
Energy: 0.7912720624854077
Energy: 0.8026070433323544
Energy: 0.8116262366265814
Energy: 0.7742903805212855
Energy: 0.8033454044774064
Energy: 0.7742966219194035
Energy: 0.7563146767474463
Energy: 0.8138836701156973
Energy: 0.8135204366036034
Energy: 0.7562475138915185
Energy: 0.8140164996803748
Energy: 0.7526009235432483
Energy: 0.7650100028276532
Energy: 0.7777860299738403
Energy: 0.752979223836234
Energy: 0.7569580095172553
Energy: 0.7449088906069107
Energy: 0.751893330879211
Energy: 0.7709203758103915
Energy: 0.7775176663741203
Energy: 0.7768354138304586
Energy: 0.7727366476307731
Energy: 0.748719637344523
Energy: 0.7790796028797208
Energy: 0.7718369474471823
Energy: 0.6911483399105556
Energy: 0.690700369492448
Energy: 0.7733254180951763
Energy: 0.6926446807407509
Energy: 0.6905226190019911
Energy: 0.7723416144501208
Energy: 0.7337755963575089
Energy: 0.7619043491602671
Energy: 0.7194632136744741
Energy: 0.7324441977952604
Energy: 0.7621714312035914
Energy: 0.6903446948306069
Energy: 0.761948640304702
Energy: 0.7616883249539642
Energy: 0.6904417052443723
Energy: 0.7575935947109155
Energy: 0.6907354092138571
Energy: 0.6911456970115735
Energy: 0.7764370795341892
Energy: 0.6910048887617747
Energy: 0.6909028791126569
Energy: 0.7773675228442853
Energy: 0.6904929148451707
Energy: 0.774871479939797
Energy: 0.7775325485804877
Energy: 0.7780144226917578
Energy: 0.7576075687138921
Energy: 0.7719037849136537
Energy: 0.7575694287667604
Energy: 0.773585006071916
Energy: 0.7564192619498945
Energy: 0.7520606166371355
Energy: 0.7738376399972805
Energy: 0.7616955958259086
Energy: 0.7520119150282653
Energy: 0.8012034615010349
Energy: 0.7601198189609865
Energy: 0.8101208643721691
Energy: 0.8092633312802572
Energy: 0.7062663797086869
Energy: 0.8098413316905201
Energy: 0.8690966507090805
Energy: 0.7913342748710562
Energy: 0.7913406858769194
Energy: 0.8168530389432446
Energy: 0.7553428945446291
Energy: 0.7909542426249855
Energy: 0.8493846221560608
Energy: 0.8130345223904254
Energy: 0.8093271480568628
Energy: 0.8179231601143928
Energy: 0.7558811874833339
Energy: 0.8030016953003167
Energy: 0.8022182900294532
Energy: 0.8167245996915514
Energy: 0.8247402213384082
Energy: 0.7883579832281004
Energy: 0.8171698396493909
Energy: 0.7885838417498104

minimum gb energy = 0.6898967651744823 eV
minimum distance =  2.30964681680278 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.9806486185918447
Energy: 0.9887874423190439
Energy: 0.9897050407675583
Energy: 0.90273877498867
Energy: 0.8480252284576129
Energy: 0.9880178255110267
Energy: 0.8685045802213197
Energy: 0.8469012027989571
Energy: 0.8460363557514599
Energy: 0.9044093915739041
Energy: 0.8477386377028031
Energy: 0.8521444296139031
Energy: 0.9831934543935333
Energy: 0.8773710706636201
Energy: 0.9127158179567499
Energy: 0.8471185819394501
Energy: 0.8357206818689928
Energy: 0.9126427283961586
Energy: 0.847448949412864
Energy: 0.87783654452507
Energy: 0.9125132861849561
Energy: 0.8464236936656918
Energy: 0.8348970924724918
Energy: 0.8322566297535103
Energy: 0.8303295130697096
Energy: 0.8472956374577483
Energy: 0.8518333391129225
Energy: 0.830349639730291
Energy: 0.8475395750285916
Energy: 0.8512787008397545
Energy: 0.9211174649755275
Energy: 0.8506781700485896
Energy: 0.8498773986378423
Energy: 0.8350123491313383
Energy: 0.8589922005630186
Energy: 0.8508138075415659
Energy: 0.8290041478731259
Energy: 0.9123403766875451
Energy: 0.8854832792450024
Energy: 0.8293141520096728
Energy: 0.9115165971442112
Energy: 0.8383310076352594
Energy: 0.830326875078458
Energy: 0.8075847601586618
Energy: 0.8383409773810683
Energy: 0.8297303884011769
Energy: 0.8389320847457995
Energy: 0.8386333340022475
Energy: 0.8940914422796776
Energy: 0.8395917466880799
Energy: 0.8397155052391183
Energy: 0.8906539029993316
Energy: 0.8583378945473211
Energy: 0.8830434858070539
Energy: 0.8555556046668515
Energy: 0.8351275359658461
Energy: 0.8392625189284744
Energy: 0.8460476549671361
Energy: 0.8309178725086646
Energy: 0.8384073992384751
Energy: 0.8603846952199352
Energy: 0.8403657115591087
Energy: 0.8500471532728964
Energy: 0.8513197076343231
Energy: 0.7865189371074917
Energy: 0.8522106580009635
Energy: 0.9826219241741433
Energy: 0.8800382920044271
Energy: 0.8806893030668824
Energy: 0.8475890565944243
Energy: 0.7869694847175801
Energy: 0.8801183466502126
Energy: 0.9753247014444238
Energy: 0.8324788893116629
Energy: 0.8907588742860927
Energy: 0.8475928968868813
Energy: 0.9085710006266279
Energy: 0.9124386255640088
Energy: 0.9225395191731317
Energy: 0.8470448793850595
Energy: 0.7889080277044911
Energy: 0.7850009380161034
Energy: 0.8462861220881667
Energy: 0.7893507550767952

minimum gb energy = 0.7850009380161034 eV
minimum distance =  2.37954539265594 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 0.9935690927247653
Energy: 1.1033910211245535
Energy: 1.1995485002478525
Energy: 1.0730900682735016
Energy: 1.0989809156253423
Energy: 1.0357026908687932
Energy: 1.0514947156123844
Energy: 0.9499054797241245
Energy: 0.9457294665071315
Energy: 0.9716028176906293
Energy: 0.9506023094042558
Energy: 0.9728150892461533
Energy: 1.098192760490885
Energy: 0.943849327083842
Energy: 0.9446612207748406
Energy: 1.0545988485437605
Energy: 0.9438357099888036
Energy: 0.962115161018489
Energy: 0.9968956367429743
Energy: 0.9621303120001113
Energy: 0.9653988197778932
Energy: 0.9969335575334112
Energy: 0.9556058229737239
Energy: 0.9671793283762377
Energy: 0.9707810540502714
Energy: 0.951784472388109
Energy: 0.9526357707912043
Energy: 0.9429459019156907
Energy: 0.9511080448349639
Energy: 0.9725741819322672
Energy: 0.9978232401295801
Energy: 0.9552025735148655
Energy: 0.9552834620192371
Energy: 0.9759980905476705
Energy: 0.9896708017853183
Energy: 0.9638459302791453
Energy: 0.9703769008385245
Energy: 0.9549771854106399
Energy: 0.9554769433592656
Energy: 0.97054134733141
Energy: 0.9660165490417646
Energy: 0.9517636268483722
Energy: 0.960632727181648
Energy: 0.9594129976121106
Energy: 0.9711044136895733
Energy: 0.950625989788313
Energy: 0.9702806589980194
Energy: 0.9693027314588147
Energy: 0.9930315222167899
Energy: 0.9734107937712494
Energy: 0.9704897060462309
Energy: 0.9418846356043783
Energy: 0.9531152691446813
Energy: 0.9420747829106273
Energy: 0.9931050927699104
Energy: 0.9730179797492985
Energy: 0.9706437326759771
Energy: 0.9574342091285438
Energy: 0.9654857502726825
Energy: 0.9661274724669331
Energy: 0.9604023126531924
Energy: 0.9570826354255033
Energy: 0.9735172998736856
Energy: 0.9509384211454214
Energy: 0.9485195069707317
Energy: 0.9682348334881953
Energy: 1.0015204033763656
Energy: 0.9668794140848234
Energy: 1.0062324862641903
Energy: 1.0022404849271447
Energy: 0.9479647883153228
Energy: 0.9771954184462062
Energy: 0.9452127170360163
Energy: 0.9774743308493883
Energy: 0.9751320677417371
Energy: 0.9451383942212003
Energy: 0.9710805067740439
Energy: 0.9561509723229101
Energy: 0.9636473486081238
Energy: 0.9527267504869902
Energy: 0.9528866100891502
Energy: 0.9632128403045329
Energy: 1.0326260260246845
Energy: 0.9483073549634627
Energy: 0.9454300613730929
Energy: 0.9647348414644918
Energy: 0.9652126175158593
Energy: 0.9493445814841206
Energy: 0.9683959436347948
Energy: 0.9645104514889123
Energy: 0.939473369466236
Energy: 0.9646152479104693
Energy: 0.964985201785724
Energy: 0.9405228936264628
Energy: 0.9649979384953276
Energy: 0.9654063603218811
Energy: 0.9569025941563951
Energy: 0.9647523087620963
Energy: 0.9648862635591772
Energy: 0.9569048690928686
Energy: 0.9754527060596707
Energy: 0.959587618473398
Energy: 0.9538013466709199
Energy: 0.9809521765176561
Energy: 0.9804164836491741
Energy: 0.9714956181852082
Energy: 1.0191796379795588
Energy: 0.953658289993134
Energy: 0.9494787811651753
Energy: 0.9564256125911391
Energy: 0.962321955529106
Energy: 0.9499991453665527
Energy: 0.9644205659663984
Energy: 0.9687372121589897
Energy: 0.9731778057998504
Energy: 0.9423354755778196
Energy: 0.943439508761912
Energy: 0.9552061151070107
Energy: 0.9422680485627438
Energy: 0.9629648406189883
Energy: 1.0144285769575458
Energy: 0.9662325744340414
Energy: 0.9585116307663277
Energy: 0.963774475842094
Energy: 0.9533958318349638
Energy: 0.9633733816923192
Energy: 0.9806979812690205
Energy: 0.9620503761188116
Energy: 0.9631281792606063
Energy: 0.9463605389448932
Energy: 0.9605941619919705
Energy: 0.9674557851430932
Energy: 0.9629884625827106
Energy: 0.9554328350890889
Energy: 0.9674361415928876
Energy: 0.9427362965039314
Energy: 0.9608934945312048
Energy: 0.984016860648257
Energy: 1.014174494110429
Energy: 0.9499213291629229
Energy: 0.9519643982848166
Energy: 0.9499010557992952
Energy: 0.9500667319493453
Energy: 0.9613828037358275
Energy: 1.0173534316061943
Energy: 0.9640468219737616
Energy: 0.9627806021645424
Energy: 0.9989323461390107
Energy: 0.973703310882899
Energy: 0.9480753056224829
Energy: 1.0080765518048582
Energy: 0.9485106843219505
Energy: 0.9486403184958735
Energy: 0.9808678541878547
Energy: 0.9477772891852915
Energy: 0.9642769708487882
Energy: 1.0081049372902897
Energy: 0.9396063392589706
Energy: 0.9617329881997388
Energy: 0.9645469847043476
Energy: 0.9412762971645191
Energy: 0.9653184781312953
Energy: 0.9973248848734679
Energy: 0.955694490896946
Energy: 0.9651114208549901
Energy: 0.9818057566932854
Energy: 0.9542556207586065
Energy: 0.9658681587490058
Energy: 1.0980771366917161
Energy: 0.9435585919108819
Energy: 0.9461982909393448
Energy: 1.0626740447205139
Energy: 0.9802732711846788
Energy: 0.9635685843560922
Energy: 1.098051618292857
Energy: 0.9464406919150012
Energy: 0.9565191564139377
Energy: 0.9764303803139566
Energy: 0.9455733554126428
Energy: 0.9648267492765307
Energy: 0.975721641581148
Energy: 0.9998074197192471
Energy: 0.9518227321081103
Energy: 0.9415500507924902
Energy: 0.9994244741322685
Energy: 0.9798251080612272

minimum gb energy = 0.939473369466236 eV
minimum distance =  2.25677458324361 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.2558953251110108
Energy: 1.0503115839646475
Energy: 1.0512238040148791
Energy: 1.0518993529138916
Energy: 1.326500506266716
Energy: 1.0512148243592376
Energy: 0.9718977106826162
Energy: 0.9949879090483341
Energy: 0.9931724469813128
Energy: 0.9751953930727285
Energy: 0.9807351024305693
Energy: 0.9853711006320944
Energy: 1.0417216902594892
Energy: 0.9996492037437438
Energy: 1.0026087861316924
Energy: 1.0142746967939222
Energy: 1.0004094914591501
Energy: 1.0172856281136227
Energy: 0.9763456464882057
Energy: 0.9793265915316794
Energy: 0.982145711243383
Energy: 0.9765770878021776
Energy: 1.00060731906863
Energy: 0.9907013734212339
Energy: 0.9751873324960468
Energy: 1.0146853145849717
Energy: 0.9935647015368259
Energy: 0.9734095688589872
Energy: 1.0143629632350721
Energy: 0.9933647028818196
Energy: 0.9808367805587246
Energy: 1.0215544990681371
Energy: 1.0117577294614057
Energy: 1.0134047102609722
Energy: 1.0236308003796062
Energy: 1.015448723225295
Energy: 1.0226245918136563
Energy: 0.9471818196898301
Energy: 0.9615614699529312
Energy: 1.0211268351891427
Energy: 0.9443142562583371
Energy: 1.0105911855748215
Energy: 1.0427687473263172
Energy: 0.9780501375214377
Energy: 0.9805377128960344
Energy: 0.9798315222784428
Energy: 0.9729856982748762
Energy: 0.986210451188133
Energy: 0.969680353935228
Energy: 1.0138764857246287
Energy: 1.0409758470562696
Energy: 0.9931375702496551
Energy: 1.0139922075354937
Energy: 1.0430531515444537
Energy: 0.9697538359759664
Energy: 1.0138836984112103
Energy: 1.04124907073423
Energy: 0.9820854798526558
Energy: 1.015726640611314
Energy: 1.0431565281648727
Energy: 1.0440328905982292
Energy: 0.9787846424890374
Energy: 0.9800995829434929
Energy: 0.9677321276146641
Energy: 0.9734174104692829
Energy: 0.9833491322590274
Energy: 1.0169475097719707
Energy: 0.9994123450042477
Energy: 1.0003947046390673
Energy: 1.0149340938520177
Energy: 1.0005004464707807
Energy: 1.0166592518239466
Energy: 0.9785023054250842
Energy: 0.9842996121197545
Energy: 0.983375546214121
Energy: 0.9816360229878223
Energy: 0.9792349297412918
Energy: 0.9829516107656087
Energy: 0.9652748896422949
Energy: 1.0145122566269227
Energy: 1.018803846080156
Energy: 1.0036768423496503
Energy: 1.015259908204209
Energy: 1.0165277276718856
Energy: 0.9773738268142468
Energy: 0.9431401693330921
Energy: 0.9939315602605032
Energy: 0.9730194911824325
Energy: 0.9429471595377571
Energy: 0.9932658354581922
Energy: 1.0408893782632513
Energy: 0.9445050184496471
Energy: 0.9842911334378618
Energy: 1.0407535157847227
Energy: 0.9416096357798313
Energy: 1.0177842661913772
Energy: 0.9707129518461728
Energy: 0.985295657014994
Energy: 0.9889890649603227
Energy: 0.9773011297655609
Energy: 0.9804804702763168
Energy: 0.9841446772002235

minimum gb energy = 0.9416096357798313 eV
minimum distance =  2.32246498214177 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.4562157228205241
Energy: 0.9879048676295177
Energy: 1.031373040931187
Energy: 1.0238300741475121
Energy: 1.0682338085883305
Energy: 1.033102736164463
Energy: 1.146535027322372
Energy: 1.00222613848381
Energy: 1.001794227182569
Energy: 1.0113673833703607
Energy: 1.0020439060060615
Energy: 1.0127857593233078
Energy: 1.0559263766596423
Energy: 1.0440250526477444
Energy: 1.067805777067292
Energy: 1.0491602945939795
Energy: 1.0418709579494514
Energy: 1.043208233201758
Energy: 1.022716818719023
Energy: 1.0236269826904454
Energy: 1.0218947235985867
Energy: 1.0321630047574748
Energy: 1.0285710476211454
Energy: 1.0218379441123628
Energy: 1.0194473496881102
Energy: 1.0021769810506902
Energy: 1.0043499343921285
Energy: 1.019305739513883
Energy: 1.003433131508192
Energy: 1.0057610696963908
Energy: 1.0170271682342604
Energy: 1.0092739016892274
Energy: 1.0076834221066953
Energy: 1.0124661656835037
Energy: 1.0069355153062718
Energy: 1.007387618293846
Energy: 1.0268701811023222
Energy: 1.0636489217796503
Energy: 1.0190337596403307
Energy: 1.0008087944347348
Energy: 1.0672214989244764
Energy: 1.018453488682313
Energy: 1.063361975382936
Energy: 1.0256471270357574
Energy: 1.0116444454585154
Energy: 1.0159423242531826
Energy: 1.0295787674111847
Energy: 1.0113527548981596
Energy: 1.1225015804985163
Energy: 1.0011943685512954
Energy: 1.0026717983569788
Energy: 1.0482245874937326
Energy: 1.000938576551214
Energy: 1.0434859986046905
Energy: 1.1216517695018908
Energy: 1.0009258072746952
Energy: 1.0050359605239703
Energy: 1.0573827615076
Energy: 0.9997849814487358
Energy: 1.0074118703805874
Energy: 1.063858586475884
Energy: 1.0127769257808485
Energy: 1.0106045721809673
Energy: 0.9984113201971321
Energy: 1.0168294826250706
Energy: 1.009310260080923
Energy: 1.0638459159574818
Energy: 1.0155119536283301
Energy: 1.013177484317742
Energy: 1.0020110384398295
Energy: 1.0129323801026402
Energy: 1.0127268414820705
Energy: 1.1419312225263358
Energy: 1.0417680163542784
Energy: 1.0423796771992309
Energy: 1.0752460247192441
Energy: 1.0435037200568866
Energy: 1.0644252238304321
Energy: 1.1376172848427846
Energy: 1.049697159366076
Energy: 1.0492656178664057
Energy: 1.0733642488966335
Energy: 1.049005547996469
Energy: 1.0500792429979373
Energy: 1.0812231549678235
Energy: 1.0120869213053094
Energy: 1.0103013313881095
Energy: 0.9990438369372623
Energy: 1.0155143300723748
Energy: 1.0066059775001357
Energy: 1.0428061498637438
Energy: 1.062478481924538
Energy: 0.9928483494637279
Energy: 1.0468558238493566
Energy: 1.0474678869680734
Energy: 1.0017044314623635
Energy: 1.082666320548843
Energy: 1.0236286849153287
Energy: 1.0243354788462056
Energy: 1.0534627386950153
Energy: 1.049862290101823
Energy: 1.0261503224101047
Energy: 1.0866590601807187
Energy: 1.0464097239770684
Energy: 1.0456399839591841
Energy: 1.0467077818014703
Energy: 1.0490805361524123
Energy: 1.045916222372659
Energy: 1.054167530351594
Energy: 1.0148121229039948
Energy: 1.014366275852236
Energy: 1.0462619753560132
Energy: 1.0276069119572715
Energy: 1.0128709878284803
Energy: 1.0558637134058475
Energy: 1.016738700877076
Energy: 1.0153313412763039
Energy: 1.0506734106683708
Energy: 1.0216887517299187
Energy: 1.0445663321809402
Energy: 1.1071281155475283
Energy: 1.014492839037101
Energy: 1.013637070926716
Energy: 1.0303848865078047
Energy: 1.0011213216794892
Energy: 1.0138853517960236

minimum gb energy = 0.9879048676295177 eV
minimum distance =  2.24421474147082 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 0.9325536202519883
Energy: 0.9166118320434721
Energy: 0.9148848695397815
Energy: 0.9345475936564308
Energy: 1.2659415292151601
Energy: 0.914420427545449
Energy: 0.9976158810781749
Energy: 0.9256259520251623
Energy: 0.9256775869647282
Energy: 0.9396473546455341
Energy: 0.9254045824757826
Energy: 0.9259515066573611
Energy: 0.9974923506937491
Energy: 0.9320291974784723
Energy: 0.9310102630550702
Energy: 0.9407835181337951
Energy: 0.9368517776460207
Energy: 0.9313391931394502
Energy: 0.9917093569834462
Energy: 0.9255670300130852
Energy: 0.9253535564593084
Energy: 0.9319150583421731
Energy: 0.9257952378045524
Energy: 0.9255470921390377
Energy: 0.9513023999700109
Energy: 0.9281072536946935
Energy: 0.9265738567593045
Energy: 0.9513361560447093
Energy: 0.9251112089467224
Energy: 0.9263921536436038
Energy: 0.9997792809038025
Energy: 0.9330703378434846
Energy: 0.9329887639667984
Energy: 0.9409454769990159
Energy: 0.9323944660556269
Energy: 0.9327420767945117
Energy: 1.0422615748533204
Energy: 0.9184105683221991
Energy: 0.9173894998309492
Energy: 0.9279031826142777
Energy: 0.9144822541823155
Energy: 0.9163857748885448
Energy: 1.0647452971564422
Energy: 0.9417777402344291
Energy: 0.9244758677232171
Energy: 0.925131569351369
Energy: 0.9521133063685222
Energy: 0.9242117219344251
Energy: 1.1170000066655792
Energy: 0.9334752444200897
Energy: 0.9313147616775063
Energy: 0.9248484952070359
Energy: 0.9320700358006719
Energy: 0.9323135436895251
Energy: 1.1170970676309206
Energy: 0.9322798061354125
Energy: 0.9247629865820461
Energy: 0.9248885672299959
Energy: 0.9320302025532952
Energy: 0.9258646815872875
Energy: 1.0419101952639307
Energy: 0.9245664099602031
Energy: 0.9244218836170824
Energy: 0.9257205308158183
Energy: 0.952401723823517
Energy: 0.9245669007244061
Energy: 1.0411309032373928
Energy: 0.932401816003485
Energy: 0.9335867902768695
Energy: 0.9253946402115091
Energy: 0.9311272721563998
Energy: 0.9252122332951245
Energy: 0.9426499489408149
Energy: 0.9266076393600091
Energy: 0.9147997781510001
Energy: 0.9413672490735415
Energy: 0.9256300830414206
Energy: 0.9148057112098554
Energy: 0.9496855947572225
Energy: 0.9246822049817484
Energy: 0.924131331744522
Energy: 0.9512559483545874
Energy: 0.9258847625398889
Energy: 0.9149361871194256
Energy: 0.9964664029072596
Energy: 0.9254053374507387
Energy: 0.9252527447886134
Energy: 0.9335516446093864
Energy: 0.9255647753722771
Energy: 0.925916866738615
Energy: 0.99309017408046
Energy: 0.9264196180790332
Energy: 0.9319319230769816
Energy: 0.933938159995719
Energy: 0.9250045737781113
Energy: 0.9317577249871151
Energy: 0.9512874841540232
Energy: 0.9245186290030551
Energy: 0.92431591957458
Energy: 0.9496258439022273
Energy: 0.9252804465882598
Energy: 0.9246163145158197
Energy: 0.9448422817356866
Energy: 0.9251446382475202
Energy: 0.9250830157007927
Energy: 0.9392818776851348
Energy: 0.9252322026766122
Energy: 0.9406105751499241
Energy: 1.0400578890628922
Energy: 0.9150546749186601
Energy: 0.9150236459156943
Energy: 0.9251230962981312
Energy: 0.9506330437311162
Energy: 0.9147046761977617
Energy: 1.0435521954894178
Energy: 0.9148730947711844
Energy: 0.9150815222590328
Energy: 0.924390552360907
Energy: 0.9518882826663849
Energy: 0.9147404677622653
Energy: 1.1177142310038097
Energy: 0.9328123662566911
Energy: 0.9257967550944972
Energy: 0.9407073449753354
Energy: 0.9319094517623424
Energy: 0.9250532005812478
Energy: 0.9420957345758061
Energy: 0.9340382998817961
Energy: 0.9321083581599604
Energy: 0.9427504452352253
Energy: 0.9334981371773314
Energy: 0.9315794180882057
Energy: 1.0633540821764282
Energy: 0.9395661519641528
Energy: 0.9260234190180118
Energy: 0.9255654440441141
Energy: 0.939848295609391
Energy: 0.92598775469335
Energy: 1.0453476594979865
Energy: 0.9262129118539807
Energy: 0.9254356820992868
Energy: 0.9255523803292626
Energy: 0.9254038988638404
Energy: 0.932354471928646
Energy: 0.9496943429090677
Energy: 0.9248408915524825
Energy: 0.9241708369384664
Energy: 0.9512361866638507
Energy: 0.9250155146279454
Energy: 0.9149051851296033

minimum gb energy = 0.914420427545449 eV
minimum distance =  2.30152238476465 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.4303927466014477
Energy: 1.074316917386727
Energy: 0.9357090501382954
Energy: 0.9226707992660632
Energy: 1.0819313449749206
Energy: 0.9525799606210449
Energy: 1.0903032038511644
Energy: 0.9703497885067663
Energy: 0.9427151100444872
Energy: 0.942424357617998
Energy: 0.9691382693071187
Energy: 0.9425174165427324
Energy: 1.0475888125985278
Energy: 0.9383702791306613
Energy: 0.9399945468830574
Energy: 0.9388628010871539
Energy: 0.9382486255758149
Energy: 0.9405396436084037
Energy: 0.993549477595295
Energy: 0.943150465916831
Energy: 0.9429698277712578
Energy: 0.961782858997944
Energy: 0.9689739057056921
Energy: 0.9426648521409442
Energy: 0.956552803628503
Energy: 0.9386377641324588
Energy: 0.9398295103331078
Energy: 0.9482567018129526
Energy: 0.9388009333637268
Energy: 0.9384415380193734
Energy: 0.9803087279104478
Energy: 0.9429663181787536
Energy: 0.9431032054668269
Energy: 0.9571533849867871
Energy: 0.9428161574698879
Energy: 0.9431486869415382
Energy: 1.070794850569691
Energy: 0.9453607603402445
Energy: 0.9461385601260595
Energy: 1.0452480323341782
Energy: 0.9624836155463541
Energy: 0.945698819486876
Energy: 1.0193607790324
Energy: 0.9361077771948115
Energy: 0.9427770629116882
Energy: 1.020720863393729
Energy: 0.9359688918149881
Energy: 0.9427384788728859
Energy: 0.9524499641056933
Energy: 0.9433227025594496
Energy: 0.9432650305840967
Energy: 0.9532499132677577
Energy: 0.9433757578919434
Energy: 0.9426173596034758
Energy: 0.9591130468141732
Energy: 0.9588398278098286
Energy: 0.957331875499227
Energy: 0.9568402577917212
Energy: 0.9575303166762213
Energy: 0.9395393217045492
Energy: 1.0592275974454672
Energy: 0.9256318784693858
Energy: 0.9251028897992863
Energy: 0.9321791385926143
Energy: 0.9246676428541599
Energy: 0.9261154706923529
Energy: 1.0616038847809401
Energy: 0.938438093304866
Energy: 0.923789550488179
Energy: 0.9237170265989457
Energy: 0.9285785154629836
Energy: 0.9240199021127058
Energy: 1.0024304057406759
Energy: 0.9563080594294991
Energy: 0.9466143171869483
Energy: 0.9227255282714512
Energy: 0.9593339916376287
Energy: 0.9857804263338614
Energy: 1.0696144745704066
Energy: 0.9386269356229197
Energy: 0.9384860388790384
Energy: 0.9238948198657474
Energy: 0.9692778261638235
Energy: 0.9444838820330372
Energy: 1.0575542236204303
Energy: 0.9235461892960936
Energy: 0.9231872959880502
Energy: 0.9236783748137127
Energy: 0.9312799085323131
Energy: 0.9231794170728771
Energy: 1.0544308266104787
Energy: 0.9323007419487512
Energy: 0.9238380525811462
Energy: 0.9238220407078814
Energy: 0.9235542177814399
Energy: 0.9239136492585487
Energy: 0.9757155654152423
Energy: 0.9486571087482325
Energy: 0.9214232447037912
Energy: 0.9257844001378882
Energy: 0.9235268400938157
Energy: 0.9607754196500501
Energy: 1.031153044295983
Energy: 0.9235121509600972
Energy: 0.9235423902580707
Energy: 0.9229869945817467
Energy: 0.9244894085814507
Energy: 0.9236703140463101
Energy: 1.040771794484808
Energy: 0.9216043782643241
Energy: 0.9214450795681929
Energy: 0.9691873902902118
Energy: 0.9237575014945723
Energy: 0.9235390216765785
Energy: 0.9346823865094642
Energy: 0.9214739663008398
Energy: 0.9213367221789903
Energy: 0.9583153683909865
Energy: 0.9237790590572058
Energy: 0.92337525606405
Energy: 0.9287119124402395
Energy: 0.9236252696897916
Energy: 0.923365984360488
Energy: 0.9323323539166639
Energy: 0.9236814232086996
Energy: 0.9231918864965711
Energy: 0.9276111432064024
Energy: 0.9235206213307409
Energy: 0.9232562939505967
Energy: 0.9314614233861549
Energy: 0.9237351003141077
Energy: 0.9231879047078906
Energy: 0.9918884610335635
Energy: 0.9180444647835984
Energy: 0.917897253365428
Energy: 0.9384558434661799
Energy: 0.9212188761746704
Energy: 0.9507728043078277
Energy: 1.028061236133406
Energy: 0.9177329702808079
Energy: 0.9248962281174536
Energy: 1.003633755605238
Energy: 0.9246342150452657
Energy: 0.9249680742359313
Energy: 1.0090922876001807
Energy: 0.9237579993960421
Energy: 0.9235815924934235
Energy: 0.9353798135579765
Energy: 0.9240340012165092
Energy: 0.9235065057765325
Energy: 0.9718655272979193
Energy: 0.9238875388277715
Energy: 0.9245248906939689
Energy: 0.9381906235259878
Energy: 0.9240972146453662
Energy: 0.9755719298897508
Energy: 1.0500499146716404
Energy: 0.9382906059632258
Energy: 0.9432258102841367
Energy: 0.938949061237063
Energy: 0.9389163049587625
Energy: 0.9389186572141167
Energy: 1.0477303651847027
Energy: 0.9427423785994686
Energy: 0.9422059954830377
Energy: 0.9435698168057406
Energy: 0.9625855803398392
Energy: 0.9422764729427859
Energy: 1.026035047702296
Energy: 1.0388094657325968
Energy: 1.0390027112672078
Energy: 0.9154035179199178
Energy: 0.9775841559940031
Energy: 0.9233551434534543

minimum gb energy = 0.9154035179199178 eV
minimum distance =  2.2597676695853 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.30936787870818
Energy: 1.058329866694734
Energy: 1.0603965300005185
Energy: 1.1850610598972677
Energy: 1.0751250491071431
Energy: 1.1871355873266811
Energy: 1.0565105839326527
Energy: 0.9170020832353839
Energy: 0.9021150282154659
Energy: 0.892342766581067
Energy: 0.9078554425958845
Energy: 0.9012846941170974
Energy: 1.0242543392804544
Energy: 0.8930778850556804
Energy: 0.8934606895292296
Energy: 0.9283013815125366
Energy: 0.8934158857210648
Energy: 0.894097521790444
Energy: 0.9480245598867674
Energy: 0.901626612180869
Energy: 0.9019793528683632
Energy: 0.8922875355354378
Energy: 0.9067505287371672
Energy: 0.8926052801811608
Energy: 0.905547486610493
Energy: 0.8940179324766
Energy: 0.8945943768761463
Energy: 0.90057244094148
Energy: 0.9290901443170229
Energy: 0.9042100905576602
Energy: 0.9437755041990649
Energy: 0.9199757858960966
Energy: 0.9195274452427681
Energy: 0.9012128216098718
Energy: 0.8926109084778365
Energy: 0.8925748647637815
Energy: 1.0542252810594333
Energy: 0.9005386503289549
Energy: 0.890782462957863
Energy: 1.060554365473885
Energy: 0.8880871983220701
Energy: 0.9002933423644239
Energy: 0.8994310985130733
Energy: 0.9026333731874684
Energy: 0.9022175958184996
Energy: 0.9525394208095175
Energy: 0.8857768038495673
Energy: 0.9023716445328621
Energy: 0.8935795223537849
Energy: 0.8928588474681046
Energy: 0.8925734108374973
Energy: 0.891673695802485
Energy: 0.8932042112801094
Energy: 0.8953001978826639
Energy: 0.8898461286748891
Energy: 0.8929241390305351
Energy: 0.8932184010456017
Energy: 0.8920515400655696
Energy: 0.8931597717933195
Energy: 0.8935442797112917
Energy: 1.0367076387728322
Energy: 0.8769070736196708
Energy: 0.8769984435304663
Energy: 0.9891639659815205
Energy: 0.8785317416208722
Energy: 0.8783971169924758
Energy: 1.03201106794626
Energy: 0.8926972633385915
Energy: 0.8933592072916232
Energy: 0.8925678724657079
Energy: 0.8927197165780358
Energy: 0.8931891297152376
Energy: 0.9325972153847032
Energy: 0.9057839482872465
Energy: 0.9053018976741998
Energy: 0.884545669713134
Energy: 0.8876373364440973
Energy: 0.9051242026507109
Energy: 0.9320856040012921
Energy: 0.8934897073588817
Energy: 0.8936718212795582
Energy: 0.892106323840612
Energy: 0.8924713060539531
Energy: 0.8932734510278073
Energy: 1.0255461243086395
Energy: 0.8934730925157464
Energy: 0.8936546821943259
Energy: 0.8928128974468744
Energy: 0.8908693699413117
Energy: 0.8952774925546226
Energy: 1.0242577399053827
Energy: 0.9069704855186749
Energy: 0.8930230978329059
Energy: 0.902522945800322
Energy: 0.901180611425266
Energy: 0.892632916063738
Energy: 0.9531609750387965
Energy: 1.0439907128789387
Energy: 0.9061434667701433
Energy: 0.8665334134446723
Energy: 1.0484477103856071
Energy: 0.876379228907645
Energy: 1.0573565078520064
Energy: 0.9024222075496302
Energy: 0.9028790769752187
Energy: 0.8998877417921577
Energy: 0.8921113343885386
Energy: 0.9251486008268786
Energy: 1.0241298144289095
Energy: 0.8921002143671162
Energy: 0.9016059042273937
Energy: 0.8925881427123261
Energy: 0.8939300379915389
Energy: 0.9034548400029911
Energy: 1.0040386494009297
Energy: 0.9013362912278586
Energy: 0.9023867591581058
Energy: 0.8923256588160471
Energy: 0.9031518715740429
Energy: 0.9028434392555726
Energy: 0.9079037349164513
Energy: 0.8926759551449152
Energy: 0.8946279605688715
Energy: 0.9014029287640527
Energy: 0.8927776205935922
Energy: 0.9032995877304868
Energy: 0.9478985584767138
Energy: 0.9032608835120167
Energy: 0.9033865769719348
Energy: 0.8993555246340369
Energy: 0.9027825109936254
Energy: 0.9028866971617701
Energy: 1.07426170228152
Energy: 0.8889174677450674
Energy: 0.8901493821294271
Energy: 1.0748349792012772
Energy: 0.8851063291477262
Energy: 0.8912519163175793
Energy: 1.0549836525598602
Energy: 0.8882594613806684
Energy: 0.888727997708298
Energy: 1.0495925674753288
Energy: 0.8843567595740002
Energy: 0.8927989780910837
Energy: 0.9019122699110416
Energy: 0.903040398368454
Energy: 0.9025038461833522
Energy: 0.9036768925597788
Energy: 0.8925350412067782
Energy: 0.9020451166591015
Energy: 0.8936568110641686
Energy: 0.8929344180358845
Energy: 0.8936701168721443
Energy: 0.8885800489635829
Energy: 0.8929491069403227
Energy: 0.892799363273996
Energy: 0.9940457016225448
Energy: 0.8783122727093542
Energy: 0.8783616607216653
Energy: 0.892402810495896
Energy: 0.878500166486408
Energy: 0.8778750851009476
Energy: 1.0259258117382202
Energy: 0.8763838681747802
Energy: 0.876525102167623
Energy: 0.9502320953128466
Energy: 0.8722203688540551
Energy: 0.8930703519139976
Energy: 0.9317494609120224
Energy: 0.8927772447115864
Energy: 0.8929778126688267
Energy: 0.8862674878842546
Energy: 0.892874826658786
Energy: 0.8925764241155373
Energy: 0.9322466541908491
Energy: 0.8929645414554478
Energy: 0.8932224480290865
Energy: 0.8845987509531352
Energy: 0.892498749106589
Energy: 0.8929273362083208
Energy: 1.0255601759336914
Energy: 0.8916559632754273
Energy: 0.8922951563295689
Energy: 0.8929280534093643
Energy: 0.8889328194222675
Energy: 0.8932595297818298
Energy: 1.0249761904942372
Energy: 0.8930356652150115
Energy: 0.9016316191447074
Energy: 0.8928974058983059
Energy: 0.9030316326796355
Energy: 0.9018403482642503
Energy: 0.9534964258074309
Energy: 0.8934729951917286
Energy: 0.902765051397404
Energy: 0.8667957308672223
Energy: 0.8928767342779826
Energy: 0.9060794131147951

minimum gb energy = 0.8665334134446723 eV
minimum distance =  2.24976533868377 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.014137044979055637
Energy: 0.0147930868254068
Energy: 0.014747399932750649
Energy: 0.015710292889942648
Energy: 0.7621476566598618
Energy: 0.014726864418612897
Energy: 0.01527299521652957
Energy: 0.11170359731720338
Energy: 0.11023528020893537
Energy: 0.10955746737257786
Energy: 0.11141755774411934
Energy: 0.11006664686908876
Energy: 1.105566176808331
Energy: 0.7644074411520323
Energy: 0.762651780210921
Energy: 0.7611444459870655
Energy: 0.7623232357550743
Energy: 0.762495829327917
Energy: 0.45022178942171465
Energy: 0.11170359731761673
Energy: 0.11023528020808437
Energy: 0.10955746737131353
Energy: 0.11141755774497034
Energy: 0.11006664686908876

minimum gb energy = 0.014137044979055637 eV
minimum distance =  2.54013994482076 Angstroms
sigma value = 1