Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.92180147767067
cohesive_energy=5.8506096220346135
mass=195.084
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=[1.63321079540058e-19, 2.6184853382452197e-19, 3.4577535244334397e-19, 4.1875610029867796e-19, 4.833206142956099e-19, 5.40930079524348e-19, 5.92582652027874e-19, 6.390105265279259e-19, 6.80782475729574e-19, 7.18358324326776e-19, 7.521834774237839e-19, 7.826264356464179e-19, 8.09759296943208e-19, 8.337374724476519e-19, 8.5480128865485e-19, 8.73147813290784e-19, 8.889308553123178e-19, 9.022849975567079e-19, 9.133288010948698e-19, 9.22169611761282e-19, 9.289019579773498e-19, 9.336139594579439e-19, 9.36388929388032e-19, 9.3729736353951e-19, 9.363120249096e-19, 9.33109273818234e-19, 9.272693399873039e-19, 9.182859356004659e-19, 9.055278030639239e-19, 8.882146823569199e-19, 8.654253219149039e-19, 8.360462089772459e-19, 7.98707482521876e-19, 7.51714039670022e-19, 6.929429963816339e-19, 6.19744352504076e-19, 5.287631501657519e-19, 4.1576002999309796e-19, 2.75279580547344e-19, 9.99740595673026e-20, -1.197180026634114e-19, -3.96428166727254e-19, -7.47348108342372e-19, -1.19616104229489e-18, -1.7763172123494597e-18, -2.5358931327625198e-18, -3.54524839041618e-18, -4.91172881978844e-18, -6.804828686990159e-18, -9.500667113124898e-18, -1.34745458184351e-17, -1.9599266546058598e-17, -2.96011746191304e-17, -4.72534761195522e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -1.26270284990531e-25 eV

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

Energy: 0.019171123962954704
Energy: 0.3793177350268851
Energy: 0.020144402212590003
Energy: 0.01948044629198458
Energy: 0.37889583057447607
Energy: 0.019803571972439104
Energy: 0.3793177350268851
Energy: 0.11406136367692778
Energy: 0.11401020861873398
Energy: 0.11407005644012329
Energy: 0.11380425553552985
Energy: 0.11399374615601886
Energy: 0.02014440221285646
Energy: 0.11401020861897085
Energy: 0.1141756314124898
Energy: 0.02011481883475661
Energy: 0.11391430785724573
Energy: 0.1152816195946191
Energy: 0.01948044629198458
Energy: 0.11407005644012329
Energy: 0.02011481883475661
Energy: 0.019545236951676922
Energy: 0.11393218186875126
Energy: 0.019740530555780154
Energy: 0.37889583057447607
Energy: 0.11380425553552985
Energy: 0.11391430785700889
Energy: 0.11393218186875126
Energy: 0.11377170099919101
Energy: 0.11395196033802726
Energy: 0.019803571972439104
Energy: 0.11399374615601886
Energy: 0.11528161959488556
Energy: 0.0197405305555433
Energy: 0.11395196033802726
Energy: 0.019881251970387877

minimum gb energy = 0.019171123962954704 eV
minimum distance =  2.76696489068741 Angstroms
sigma value = 1


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

Energy: 1.1913585006765488
Energy: 1.203807487000213
Energy: 0.9177227936909595
Energy: 0.8210130376529767
Energy: 0.9203712448280802
Energy: 0.8986516396134299
Energy: 1.0964154832475663
Energy: 0.8632912766424916
Energy: 0.8626551102331759
Energy: 0.8186392905683445
Energy: 0.8632143452614502
Energy: 0.8563894121347453
Energy: 0.9943675221254558
Energy: 0.8593051626657415
Energy: 0.867058892128324
Energy: 0.7851802705151845
Energy: 0.8595648005265643
Energy: 0.8372571730776267
Energy: 1.2108670662630132
Energy: 0.8125212924470342
Energy: 0.8742502143770193
Energy: 0.8468326641017758
Energy: 0.8405647562962932
Energy: 0.8742135492141778
Energy: 1.1040859089857722
Energy: 0.8597977641599553
Energy: 0.8593876782660601
Energy: 0.7627925343954827
Energy: 0.8497285566505169
Energy: 0.8545522649287058
Energy: 1.1082983890057787
Energy: 0.8526997288770093
Energy: 0.8512096451388717
Energy: 0.8473773741161048
Energy: 0.8544160019226629
Energy: 0.8534628309273165
Energy: 1.0942886232010751
Energy: 0.7941635663228743
Energy: 0.7923723149923505
Energy: 0.8493591152185698
Energy: 0.8014481328643103
Energy: 0.8547423373993625
Energy: 1.0390570051356673
Energy: 0.8516530524094438
Energy: 0.8487902925934094
Energy: 0.8024339349527067
Energy: 0.8493469112072842
Energy: 0.7946728300287005
Energy: 0.9160809999592223
Energy: 0.8483814903034861
Energy: 0.8529901356369686
Energy: 0.8522964850175313
Energy: 0.850697624309171
Energy: 0.8499133802271532
Energy: 0.9144544329626729
Energy: 0.849807606344513
Energy: 0.8463203457251631
Energy: 0.8273556624051915
Energy: 0.7478225716049431
Energy: 0.8579033705320045
Energy: 0.9719294575021826
Energy: 0.8578049516111981
Energy: 0.859244117313896
Energy: 0.8829757708665744
Energy: 0.8466405013773883
Energy: 0.8914929063285693
Energy: 0.8633863929255854
Energy: 0.8717731465988606
Energy: 0.8452762416226547
Energy: 0.8628170699345362
Energy: 0.8467645236763138
Energy: 0.8419481492995492
Energy: 0.8612433112836487
Energy: 0.8390868436005686
Energy: 0.8690941955616004
Energy: 0.8611516182110117
Energy: 0.7894489716661203
Energy: 0.820803641345618
Energy: 0.9057339524106023
Energy: 0.8671940327698393
Energy: 0.8670928140944825
Energy: 0.8575386955378514
Energy: 0.8591835538635211
Energy: 0.8962038368350348
Energy: 0.877723458775765
Energy: 0.8477016928310298
Energy: 0.8440703058494144
Energy: 0.8451647779708172
Energy: 0.789155522774395
Energy: 0.8730091331802241
Energy: 0.8809950721467322
Energy: 0.8428139790713204
Energy: 0.8615275072222254
Energy: 0.8660381394362381
Energy: 0.8486791719064638
Energy: 0.8629092099505472
Energy: 0.998556191430197
Energy: 0.8470517409211172
Energy: 0.8473134808778945
Energy: 0.8446583577711564
Energy: 0.847025332755057
Energy: 0.8564699199476836
Energy: 0.9927872794739317
Energy: 0.7624585593134916
Energy: 0.7617204192345092
Energy: 0.846731251205333
Energy: 0.8053439249356841
Energy: 0.8473223800528545
Energy: 0.9935666519952931
Energy: 0.8492073686505965
Energy: 0.8453233836633905
Energy: 0.8476975397805142
Energy: 0.8486957560593889
Energy: 0.8456147370638628
Energy: 0.9997784588095854
Energy: 0.8486917181152899
Energy: 0.8467667877166727
Energy: 0.7630753256952416
Energy: 0.8500066790926192
Energy: 0.8533780470294139
Energy: 1.1519136982213463
Energy: 0.8401265406025111
Energy: 0.8512945439052885
Energy: 0.82066320176403
Energy: 0.8688573909549495
Energy: 0.8683083535418412
Energy: 0.9414599810141786
Energy: 0.8645304069099501
Energy: 0.8632660637913963
Energy: 0.7150960842830785
Energy: 0.8623123294505085
Energy: 0.8377956230571785
Energy: 1.1375604794786127
Energy: 0.848934737586203
Energy: 0.8487252603091203
Energy: 0.7142925119999027
Energy: 0.8587016939391192
Energy: 0.8601978183510405

minimum gb energy = 0.7142925119999027 eV
minimum distance =  2.58517599140949 Angstroms
sigma value = 33


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

Energy: 1.382256854534461
Energy: 0.8975191781420354
Energy: 0.8846729931857502
Energy: 0.8845468163658278
Energy: 0.8905941165594693
Energy: 0.9576211443192175
Energy: 0.9496106105775282
Energy: 0.8714274895488311
Energy: 0.842359856273272
Energy: 0.8378009950973315
Energy: 0.8741358114603799
Energy: 0.8515215700694995
Energy: 0.9005227719538772
Energy: 0.8726322149598899
Energy: 0.8762083373536393
Energy: 0.9114204492780104
Energy: 0.8599665301188583
Energy: 0.8490668142641761
Energy: 1.1483733584907532
Energy: 0.9428754541102458
Energy: 0.8763370410969736
Energy: 0.9006573358851501
Energy: 0.925989594275094
Energy: 0.9004461710919723
Energy: 0.9544917201834783
Energy: 0.9579999718133871
Energy: 0.8889856212398612
Energy: 0.8458301892534654
Energy: 0.8913426792273877
Energy: 0.9542767149180799
Energy: 1.1750179192746275
Energy: 0.9587702590019663
Energy: 0.9613054225732154
Energy: 0.8700108274540314
Energy: 0.9622294183183875
Energy: 0.9605273798167995
Energy: 1.1697978601146475
Energy: 0.9587761463173032
Energy: 0.9554172037592612
Energy: 0.911821218500807
Energy: 0.9113916570464464
Energy: 0.8938444850248907
Energy: 1.0049896723101468
Energy: 0.8919080760483693
Energy: 0.8947115741554493
Energy: 0.8579167267806808
Energy: 0.8911755228786014
Energy: 0.8948442641184994
Energy: 0.9637510633417529
Energy: 0.8903568258898026
Energy: 0.9046818734922873
Energy: 0.9037471849458953
Energy: 0.8896784927194277
Energy: 0.8998598417354073
Energy: 0.9608072617670516
Energy: 0.9304126377783608
Energy: 0.9024746477904424
Energy: 0.9162136516322203
Energy: 0.9127114949528661
Energy: 0.9016774642722326
Energy: 0.9560880192734096
Energy: 0.8694531467086134
Energy: 0.8696713049009284
Energy: 0.9354867191426901
Energy: 0.8478159535885994
Energy: 0.848991223713545
Energy: 0.9092877343351378
Energy: 0.8667953698544175
Energy: 0.9119202419812201
Energy: 0.9054349327978343
Energy: 0.8428683598072625
Energy: 0.9052673789593224
Energy: 0.9034563805228132
Energy: 0.9421617964696304
Energy: 0.9374594498595925
Energy: 0.9020900918098278
Energy: 0.9077106291978263
Energy: 0.9094523650969761
Energy: 0.9250007313113536
Energy: 0.8961815120899322
Energy: 0.8761764937945823
Energy: 0.9833460776240692
Energy: 0.897238629593894
Energy: 0.9333270972659707
Energy: 0.9864290924120698
Energy: 0.9416704379150802
Energy: 0.962337856613162
Energy: 0.9136802723878304
Energy: 0.9053657737982609
Energy: 0.9178963310207441
Energy: 0.998721653569555
Energy: 0.9354812783346727
Energy: 0.9598927003052409
Energy: 0.9601663142137354
Energy: 0.9079048929834934
Energy: 0.9616697675656969
Energy: 0.9637654104069733
Energy: 0.9283274330925093
Energy: 0.9306771028258267
Energy: 0.9657861335138458
Energy: 0.9276243278903437
Energy: 0.9544815404254714
Energy: 1.0135409944020002
Energy: 0.9246657818383053
Energy: 0.9371318566723561
Energy: 0.890098797309349
Energy: 0.9491123783169295
Energy: 0.8916498766278989
Energy: 1.019284214658003
Energy: 0.949803138917286
Energy: 0.9463575989014394
Energy: 0.89009381278106
Energy: 0.95060454964557
Energy: 0.9421480676784084
Energy: 1.0366953336125204
Energy: 0.943943196431831
Energy: 0.932386790086088
Energy: 0.9451770121553809
Energy: 0.9445267294175967
Energy: 0.9311188121252127
Energy: 1.2226598948186966
Energy: 0.894895078842468
Energy: 0.8502792783611646
Energy: 0.8486846895190865
Energy: 0.912218203701447
Energy: 0.8485502821450888
Energy: 0.9499325483673818
Energy: 0.9478627935336357
Energy: 0.9403405461430945
Energy: 0.8602865427512406
Energy: 0.9408796535320532
Energy: 0.9398100548789473
Energy: 1.018205513203373
Energy: 0.9399158358554967
Energy: 0.942362929185618
Energy: 0.9432715760167744
Energy: 0.9400093549524767
Energy: 0.9413848528184567
Energy: 1.193699181683216
Energy: 0.989538054683812
Energy: 0.9557107385287376
Energy: 0.8779688192676331
Energy: 0.9661900915075544
Energy: 0.9347882949794806
Energy: 0.9558222887481664
Energy: 0.954365441438375
Energy: 0.9564878145513614
Energy: 0.9405104094804102
Energy: 0.9352483707172267
Energy: 0.9615771137882193
Energy: 0.9466054842257656
Energy: 0.9559655566354056
Energy: 0.9591656612795743
Energy: 0.9480317177070604
Energy: 0.9555803156308444
Energy: 0.9569077668450271
Energy: 1.1740426533023771
Energy: 0.9274931330762831
Energy: 0.9088216880567507
Energy: 0.9502056986991947
Energy: 0.9508110283258336
Energy: 0.9504987807667089
Energy: 0.9939991073505607
Energy: 0.8901749362166628
Energy: 0.8910750784637217
Energy: 0.9502385087047587
Energy: 0.8897525384877788
Energy: 0.9408774498136645
Energy: 0.9458704885399322
Energy: 0.890052896395125
Energy: 0.8918671232903671
Energy: 0.9019798822878325
Energy: 0.8903109757020261
Energy: 0.9036419497729639
Energy: 0.9525733357938149
Energy: 0.9033764954072094
Energy: 0.9021263347364682
Energy: 0.9105186788538219
Energy: 0.9475194015682507
Energy: 0.9074043471759621
Energy: 0.9906612445923522
Energy: 0.8504759535817614
Energy: 0.849517687101943
Energy: 0.9819847164629616
Energy: 0.8651265224152154
Energy: 0.871604969719738
Energy: 0.9122576885225643
Energy: 0.849073760481068
Energy: 0.8473500275529304
Energy: 0.9118970263145265
Energy: 0.8694232477620975
Energy: 0.9036057797692896
Energy: 0.9137698307224438
Energy: 0.9033096947657653
Energy: 0.9140736027606451
Energy: 0.914775297970192
Energy: 0.9428311613414543
Energy: 0.9055343115148821
Energy: 0.9102241859450995
Energy: 0.8974250534342281
Energy: 0.899208203543504
Energy: 0.9109798320988745
Energy: 0.8965515541108888
Energy: 0.9382335560191026
Energy: 0.9546275543433819
Energy: 0.9180507607193641
Energy: 0.9057275020544977
Energy: 0.9330196407466111
Energy: 0.9464707379834953
Energy: 0.9524412983954551
Energy: 0.9884133438326946
Energy: 0.9160336247101765
Energy: 0.9313352880359108
Energy: 0.9561845616491955
Energy: 0.9485805883502737
Energy: 0.9572865524260594
Energy: 0.9739250366356886
Energy: 0.9523977930531184
Energy: 0.8629189901976255
Energy: 0.847866556194546
Energy: 0.8529819575649021
Energy: 0.9510008968050475
Energy: 1.0297606940288666
Energy: 0.9404334471811252
Energy: 0.8543694367141266
Energy: 0.8895957105497174
Energy: 0.8573497532583071
Energy: 0.9387999494145978
Energy: 1.0132828815494521
Energy: 0.8620910926356523
Energy: 0.8657846688730962
Energy: 0.8909217414810159
Energy: 0.8675051606590982
Energy: 0.8929269917942857
Energy: 0.9354374502156869
Energy: 0.875046809407768
Energy: 0.8717168101534128
Energy: 0.8558017604487191
Energy: 0.8749662216986435
Energy: 0.8562896635542778
Energy: 1.0972084745469497
Energy: 0.8651663356394877
Energy: 0.8515171361613508
Energy: 0.8270068027975955
Energy: 0.8711421090953735
Energy: 0.8703577789958881

minimum gb energy = 0.8270068027975955 eV
minimum distance =  2.55753441025567 Angstroms
sigma value = 51


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

Energy: 1.2470221137208313
Energy: 1.2201566541007132
Energy: 0.8335909776526829
Energy: 0.817184547075415
Energy: 0.9113420155312196
Energy: 0.8994185196350754
Energy: 0.9819734153405011
Energy: 0.8838743483970848
Energy: 0.8843301830553112
Energy: 0.8674394225087031
Energy: 0.8830624524615936
Energy: 0.8568939266214523
Energy: 1.0379478703373346
Energy: 0.8741567222662652
Energy: 0.8738441089611252
Energy: 0.8685273571766845
Energy: 0.8740354797269305
Energy: 0.8393390655224936
Energy: 1.1416570607713683
Energy: 0.8380416225781154
Energy: 0.8388143336170413
Energy: 0.7939497022763982
Energy: 0.8390923808255929
Energy: 0.8630905149297626
Energy: 0.9785167190462953
Energy: 0.8880536006939419
Energy: 0.8844501911968521
Energy: 0.8960634447362921
Energy: 0.8852667354414164
Energy: 0.8835622466925138
Energy: 0.9791281004625646
Energy: 0.881360238766081
Energy: 0.8776266871148733
Energy: 0.8811627297778749
Energy: 0.8804849240906704
Energy: 0.8797526810645404
Energy: 0.9778963329783098
Energy: 0.87018683923021
Energy: 0.878254683355489
Energy: 0.8658717700135401
Energy: 0.8806554945012929
Energy: 0.8839041992951592
Energy: 1.0106854532774636
Energy: 0.8098747453443536
Energy: 0.8336470064894306
Energy: 0.8889250905886675
Energy: 0.8094258430106592
Energy: 0.8333122772678591
Energy: 0.8746551004303144
Energy: 0.8010846368778927
Energy: 0.8009762338838275
Energy: 0.8746737839417884
Energy: 0.8260815905448691
Energy: 0.8489232582601237
Energy: 0.8753521522757263
Energy: 0.835409565431336
Energy: 0.8353181163276193
Energy: 0.8753617962130825
Energy: 0.7935083811832702
Energy: 0.8587778379270237
Energy: 0.88154900732593
Energy: 0.836054017778092
Energy: 0.8360216735257586
Energy: 0.8548720051762645
Energy: 0.8360286793690009
Energy: 0.915404411786906
Energy: 0.9023168696542584
Energy: 0.7925652367087996
Energy: 0.8728552376851827
Energy: 0.853592573993952
Energy: 0.8921119275622441
Energy: 0.8504534693628332
Energy: 0.8984371984658192
Energy: 0.8621409525159798
Energy: 0.8610083390622696
Energy: 0.8799329311494833
Energy: 0.8461698133558679
Energy: 0.8815730505440172
Energy: 0.9008637747730094
Energy: 0.8407310716094949
Energy: 0.8404919431114001
Energy: 0.8786402037702106
Energy: 0.7997438258675369
Energy: 0.7998774525492669
Energy: 1.0270889966979544
Energy: 0.7711359480318606
Energy: 0.8071419001262289
Energy: 0.8703570545864698
Energy: 0.8088679813959004
Energy: 0.8064172028446888
Energy: 1.0316251800508163
Energy: 0.8803240812396463
Energy: 0.881406338209201
Energy: 0.7778780940743996
Energy: 0.8809383626186117
Energy: 0.865235659927722
Energy: 0.9796054350834151
Energy: 0.8803526839642941
Energy: 0.8810793865661579
Energy: 0.8128442159793636
Energy: 0.8815353221456641
Energy: 0.8807445828821365
Energy: 1.2395303364500725
Energy: 0.8603649893093944
Energy: 0.8559714985749611
Energy: 0.7756166283105173
Energy: 0.8628951767099083
Energy: 0.8336243453519832

minimum gb energy = 0.7711359480318606 eV
minimum distance =  2.61329944144587 Angstroms
sigma value = 19


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

Energy: 1.0508838885592278
Energy: 0.8339983303082474
Energy: 0.8090323329762871
Energy: 0.8765985188567077
Energy: 0.8342312531253934
Energy: 0.8736427540738204
Energy: 0.9459415073252829
Energy: 0.8395485478240965
Energy: 0.8396062086729562
Energy: 0.8345890721075355
Energy: 0.8402637662507714
Energy: 0.8405771357737851
Energy: 0.9415411301528898
Energy: 0.8398285256208411
Energy: 0.8404276162244992
Energy: 0.8481259167513032
Energy: 0.8410275501489334
Energy: 0.8409176806994786
Energy: 0.9220588506123123
Energy: 0.8395144656119815
Energy: 0.8397917790030156
Energy: 0.8267322825526016
Energy: 0.8240817541725665
Energy: 0.8221388668128119
Energy: 0.906731591012522
Energy: 0.8400246574943907
Energy: 0.8409426333543915
Energy: 0.8040387930780527
Energy: 0.8403548022907933
Energy: 0.8679689525036449
Energy: 0.9389280457976857
Energy: 0.7932398055813656
Energy: 0.8699003179694605
Energy: 0.8538703491966254
Energy: 0.7931324676849317
Energy: 0.855403270676612
Energy: 0.9463468963574956
Energy: 0.8797268936028975
Energy: 0.852626638888573
Energy: 0.8547010957837008
Energy: 0.7909555078892686
Energy: 0.854202782681754
Energy: 0.9212797362911678
Energy: 0.7727487072395618
Energy: 0.773208055757797
Energy: 0.9216228568130409
Energy: 0.7721506547307243
Energy: 0.7837728082955353
Energy: 0.8396365226045327
Energy: 0.7722615146879818
Energy: 0.7811666944799281
Energy: 0.8404105717529698
Energy: 0.7722942011725665
Energy: 0.7819375161562442
Energy: 0.8388745999733054
Energy: 0.8394160612461421
Energy: 0.8403460380851087
Energy: 0.8392343402072099
Energy: 0.8503557391830663
Energy: 0.8402907216221275
Energy: 0.8290342535092238
Energy: 0.8488024631262847
Energy: 0.8481420703955374
Energy: 0.8290826664605283
Energy: 0.8433601092836744
Energy: 0.8137666751357322
Energy: 0.9259379747997033
Energy: 0.8645975197048013
Energy: 0.8664118162270977
Energy: 0.8411401207128465
Energy: 0.8479353402724388
Energy: 0.8400669530931661
Energy: 0.7914109705199439
Energy: 0.8483771868909229
Energy: 0.8495424714437008
Energy: 0.7935884777515416
Energy: 0.8497181655659739
Energy: 0.8720289451982403
Energy: 0.9727936767278317
Energy: 0.8715502794941004
Energy: 0.8694576309656697
Energy: 0.8336689350147096
Energy: 0.8729211012111655
Energy: 0.854015347775423
Energy: 1.0559584348270963
Energy: 0.8330265810462338
Energy: 0.8244776427650752
Energy: 0.7733025027138102
Energy: 0.8417781936336882
Energy: 0.7816316352655116
Energy: 1.0553723781023665
Energy: 0.8429276725881154
Energy: 0.783711669494696
Energy: 0.7726624714644705
Energy: 0.836613214607894
Energy: 0.773859214993062
Energy: 0.9090806953884768
Energy: 0.8387475317008153
Energy: 0.8389256189707837
Energy: 0.7904721620627927
Energy: 0.8388025684447983
Energy: 0.839816207594708
Energy: 0.9170559925395255
Energy: 0.8387166424868475
Energy: 0.8393790280712559
Energy: 0.8227966031315654
Energy: 0.8347566445274319
Energy: 0.8404078019936876
Energy: 0.9159261254428929
Energy: 0.8391359831277263
Energy: 0.8403541270229474
Energy: 0.8264243262891116
Energy: 0.839770681620888
Energy: 0.8229514086721378
Energy: 0.9081111084548188
Energy: 0.7933464811220254
Energy: 0.8549492711549255
Energy: 0.8030665036522042
Energy: 0.7930529841688023
Energy: 0.8626559036122686
Energy: 0.9387625553501215
Energy: 0.8462062617669199
Energy: 0.8623956769316299
Energy: 0.8735887234920471
Energy: 0.834241722722956
Energy: 0.8648600464334684
Energy: 0.9501528816655641
Energy: 0.8085884850249714
Energy: 0.8559725077684968
Energy: 0.8402645481868347
Energy: 0.805470685243819
Energy: 0.8533058504277128
Energy: 0.9227973561134359
Energy: 0.8749208400128596
Energy: 0.7717455790249597
Energy: 0.9234117524890462
Energy: 0.8743712400028638
Energy: 0.8099106519639869
Energy: 0.8405979870719876
Energy: 0.8495127216752508
Energy: 0.8409759733117648
Energy: 0.8408935141093576
Energy: 0.8127348517021095
Energy: 0.8398273273767813
Energy: 0.8415257128437211
Energy: 0.8007591918529725
Energy: 0.8403582501762192
Energy: 0.8414774724253796
Energy: 0.8473966413889191
Energy: 0.8403954151713512
Energy: 0.9237348525273337
Energy: 0.8324336890821052
Energy: 0.8326013688368182
Energy: 0.9224763844707772
Energy: 0.8271171105820321
Energy: 0.8404689839170102
Energy: 0.9461507147808955
Energy: 0.8666713190770874
Energy: 0.8681639049787289
Energy: 0.8423290483958551
Energy: 0.8672040590060819
Energy: 0.8540113169499691
Energy: 0.7929923585545089
Energy: 0.8476245930209722
Energy: 0.8645312727609258
Energy: 0.7932217713874207
Energy: 0.8500745396241852
Energy: 0.8568196450430302
Energy: 0.9077046190104088
Energy: 0.853851227279473
Energy: 0.8539477838853008
Energy: 0.8155144002073144
Energy: 0.8545759515035308
Energy: 0.8528374407270223
Energy: 1.0550582548840803
Energy: 0.8263642324315487
Energy: 0.783286043769168
Energy: 0.7735634464461104
Energy: 0.9014398121485062
Energy: 0.7823957664594511

minimum gb energy = 0.7717455790249597 eV
minimum distance =  2.65460481103991 Angstroms
sigma value = 27


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

Energy: 0.9268443866448757
Energy: 0.854034255944293
Energy: 0.965236471332333
Energy: 0.7172802587606442
Energy: 0.8540837458734103
Energy: 0.964978078645259
Energy: 0.9287041721731543
Energy: 0.802571071158662
Energy: 0.8010131658629697
Energy: 0.7859549396270155
Energy: 0.8024993266065837
Energy: 0.7577814937124868
Energy: 0.8530418254370012
Energy: 0.8012780028793366
Energy: 0.8014311146859786
Energy: 0.7899593815746615
Energy: 0.8006724713865786
Energy: 0.7569419273203744
Energy: 0.9305374275406011
Energy: 0.7377525820392462
Energy: 0.7375177500181902
Energy: 0.7881603041891075
Energy: 0.8181600840226009
Energy: 0.7372440039839542
Energy: 0.929900354174798
Energy: 0.7176133251799486
Energy: 0.7384781876182301
Energy: 0.8090390068960754
Energy: 0.8302984121063068
Energy: 0.7400059506651132
Energy: 0.8006405500413457
Energy: 0.7172061535518098
Energy: 0.7234597439344733
Energy: 0.8009412528517943
Energy: 0.6984680115577794
Energy: 0.7160635786901487
Energy: 0.8009710355065559
Energy: 0.7778808841038976
Energy: 0.7559305720821096
Energy: 0.8017296325469505
Energy: 0.7888580769951605
Energy: 0.77324222358022
Energy: 0.7996574551522861
Energy: 0.8448318966676168
Energy: 0.8450174740309142
Energy: 0.7990870942672583
Energy: 0.7706659411025992
Energy: 0.8295214322188241
Energy: 0.8538984214989402
Energy: 0.7435686554307173
Energy: 0.7605448588426791
Energy: 0.7997842973808424
Energy: 0.7847777878704824
Energy: 0.7574332195018816
Energy: 0.7628745794338401
Energy: 0.7567794705236597
Energy: 0.7707530600312993
Energy: 0.7714351570214655
Energy: 0.7813667403364668
Energy: 0.771478672524397
Energy: 0.8516649529310608
Energy: 0.8064279986365263
Energy: 0.7717288358047879
Energy: 0.8067637805089766
Energy: 0.807753211146728
Energy: 0.7584494131377117
Energy: 0.8374569405824259
Energy: 0.7705965629019629
Energy: 0.7703345611434662
Energy: 0.7944130553540252
Energy: 0.802727277881761
Energy: 0.7556804233125426

minimum gb energy = 0.6984680115577794 eV
minimum distance =  2.61443697880068 Angstroms
sigma value = 9


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

Energy: 1.2471404601284108
Energy: 0.711549585874834
Energy: 0.9140642990854785
Energy: 0.7700956550176872
Energy: 0.710193077208102
Energy: 0.7708280622700098
Energy: 0.7282859272451556
Energy: 0.7074062914048443
Energy: 0.7073180495751481
Energy: 0.6893420173051439
Energy: 0.7077552897657887
Energy: 0.682272899758489
Energy: 0.7279519191423738
Energy: 0.7024470652461213
Energy: 0.7077054484310894
Energy: 0.6858366886776063
Energy: 0.7037844184746134
Energy: 0.7039665386801263
Energy: 0.8936435851581545
Energy: 0.6677663794095914
Energy: 0.6677929135857106
Energy: 0.6865030888149434
Energy: 0.6957447780043721
Energy: 0.6694081378812977
Energy: 0.7692989868095097
Energy: 0.6838815488716369
Energy: 0.6330426483380465
Energy: 0.7136352175335958
Energy: 0.6821779518591015
Energy: 0.687982561828964
Energy: 0.7154228775983522
Energy: 0.6806675792663349
Energy: 0.7041108516815291
Energy: 0.7157745206020403
Energy: 0.6808465753635305
Energy: 0.7041377992053163
Energy: 0.7218712892303317
Energy: 0.6560186382489906
Energy: 0.6558554191854938
Energy: 0.7215686199493919
Energy: 0.6871691694108586
Energy: 0.7332566771393824
Energy: 0.7005153270202465
Energy: 0.7002903406639713
Energy: 0.6669864668480774
Energy: 0.7007630340149928
Energy: 0.7000654911408919
Energy: 0.685003609166406
Energy: 0.7101733589290598
Energy: 0.6868137019272031
Energy: 0.6977424068626435
Energy: 0.7188717437710401
Energy: 0.684160280135837
Energy: 0.6574329869580391
Energy: 1.0072193772823415
Energy: 0.6983776741138511
Energy: 0.6922311501476631
Energy: 0.6717455288562678
Energy: 0.7213561823597274
Energy: 0.6819778551627351
Energy: 0.6764896375953815
Energy: 0.7196260654067663
Energy: 0.7301492342157446
Energy: 0.6696410065105382
Energy: 0.7202365764818556
Energy: 0.6444822424587527
Energy: 0.7892773259665562
Energy: 0.7226064652862954
Energy: 0.7212012770197265
Energy: 0.6810331701462661
Energy: 0.7229004334251932
Energy: 0.6455373103871211
Energy: 1.124159632599767
Energy: 0.8543481026131385
Energy: 0.6951552393153545
Energy: 0.6946274350532576
Energy: 0.7164395481396895
Energy: 0.7343852780657405
Energy: 0.7913063481987681
Energy: 0.7115448490993964
Energy: 0.701419959528719
Energy: 0.675681769719544
Energy: 0.7151337609720655
Energy: 0.658616787243185
Energy: 0.7010167648226275
Energy: 0.7118110306863178
Energy: 0.71200913687597
Energy: 0.700980902266829
Energy: 0.7148932670741189
Energy: 0.7169021388817415
Energy: 0.7042080339182656
Energy: 0.6885718241775618
Energy: 0.6788233323069344
Energy: 0.7055938423153666
Energy: 0.708138090298035
Energy: 0.7144398012679154
Energy: 0.7049392527546788
Energy: 0.6538264225209977
Energy: 0.6428907344792377
Energy: 0.7049654476347123
Energy: 0.6690404488645653
Energy: 0.6881984818843103
Energy: 0.7277439384202863
Energy: 0.6934668404326002
Energy: 0.6775180412663265
Energy: 0.704910476355847
Energy: 0.6933977726746964
Energy: 0.7186667911788233
Energy: 0.7268007065317209
Energy: 0.6849753214638076
Energy: 0.6964967706375367
Energy: 0.7068334868172353
Energy: 0.6885965623651369
Energy: 0.6832015295421087
Energy: 0.726387088011892
Energy: 0.6933563041603346
Energy: 0.6784581149863832
Energy: 0.6922737377124574
Energy: 0.6921102878086746
Energy: 0.6731160636805297
Energy: 0.7280185580239908
Energy: 0.7103737466679161
Energy: 0.6942279534178437
Energy: 0.672174466438654
Energy: 0.7136438418542803
Energy: 0.6781886254199571
Energy: 0.7674731221196222
Energy: 0.6948736415749762
Energy: 0.7351345933331089
Energy: 0.6833626525918134
Energy: 0.7064275229625987
Energy: 0.6689639550037683
Energy: 0.7678157933866387
Energy: 0.7070466883577038
Energy: 0.6951776238191635
Energy: 0.6836494072807877
Energy: 0.7073651913010194
Energy: 0.6473119275368854
Energy: 0.7280547434981609
Energy: 0.7055663242309321
Energy: 0.7029472176321705
Energy: 0.7152419569951419
Energy: 0.7046919136825713
Energy: 0.7033119210173003
Energy: 0.8869933208059262
Energy: 0.6665511844224635
Energy: 0.7100728128386392
Energy: 0.7126404163369483
Energy: 0.700949166623423
Energy: 0.713572898485453
Energy: 0.7279380417480135
Energy: 0.6718393357654332
Energy: 0.658453041781596
Energy: 0.7168541363045953
Energy: 0.6738730799268893
Energy: 0.6570962021870835
Energy: 0.8985202550836844
Energy: 0.6996661864070518
Energy: 0.7014055376092474
Energy: 0.8979444049786873
Energy: 0.7370081843282394
Energy: 0.6984627585093326
Energy: 0.7277924386896001
Energy: 0.6578406086737388
Energy: 0.6576395928141848
Energy: 0.728485622604579
Energy: 0.6718180814854621
Energy: 0.7344825671418631
Energy: 0.7273799012302242
Energy: 0.675779710083303
Energy: 0.6435989354429774
Energy: 0.7276044362238799
Energy: 0.6830299555348193
Energy: 0.7275516686070274
Energy: 0.692817304344833
Energy: 0.6995087410182076
Energy: 0.6671757174283269
Energy: 0.7568742569892578
Energy: 0.6996733017230806
Energy: 0.6903545896882005
Energy: 0.6765322948620867
Energy: 0.6992607299758776
Energy: 0.7222854502776255
Energy: 0.6713296566237772
Energy: 0.6984807869596986
Energy: 0.6753727306342704
Energy: 1.006039497325478
Energy: 0.7034199335050587
Energy: 0.6806416856947292
Energy: 0.7066742091322878
Energy: 0.7034043172751836
Energy: 0.6823230271638365
Energy: 0.7296733212625945
Energy: 0.721289357431648
Energy: 0.7198664310377169
Energy: 0.7184613273019976
Energy: 0.7229358310166447
Energy: 0.6566626875443481
Energy: 0.8897369489434054
Energy: 0.7178356963095213
Energy: 0.7195134421775043
Energy: 0.682704004073158
Energy: 0.7168088714002947
Energy: 0.6946738962588316
Energy: 0.7246018170424129
Energy: 0.7126494505938418
Energy: 0.6857678865677759
Energy: 0.683287233085067
Energy: 0.7123992378220798
Energy: 0.6485956124443353
Energy: 0.7060193424556004
Energy: 0.707143487985166
Energy: 0.657304643544552
Energy: 0.7158484850112832
Energy: 0.6972963998176333
Energy: 0.6686486959562782
Energy: 0.7030032701956731
Energy: 0.6888582723776425
Energy: 0.6899289393027189
Energy: 0.7041476527701817
Energy: 0.6871677464052017
Energy: 0.7020849166504296
Energy: 0.704829618358913
Energy: 0.6869855098999363
Energy: 0.6864039065558493
Energy: 0.7051965634114077
Energy: 0.6880491689658347
Energy: 0.6975727273620376
Energy: 0.8170188834339205
Energy: 0.7338704788990065
Energy: 0.7951036366923118
Energy: 0.8180744974944018
Energy: 0.7685721307497572
Energy: 0.6872822520035533
Energy: 0.7281442822340755
Energy: 0.6900537646079266
Energy: 0.6793657502914849
Energy: 0.7038173388913831
Energy: 0.6893190897867248
Energy: 0.6845744832243081
Energy: 0.7266137111473407
Energy: 0.6786619335777562
Energy: 0.6809771684923789
Energy: 0.6986450136564327
Energy: 0.696458998128714
Energy: 0.6989973086505537
Energy: 0.7277024340062643
Energy: 0.7056479224504226
Energy: 0.6958184066014576
Energy: 0.7059703309793551
Energy: 0.7009089737203108
Energy: 0.6790051257031889
Energy: 0.7684160240253958
Energy: 0.7072049815397105
Energy: 0.6766635769114115
Energy: 0.6834696778357175
Energy: 0.7069833888265086
Energy: 0.6468159959004705

minimum gb energy = 0.6330426483380465 eV
minimum distance =  2.59479883853047 Angstroms
sigma value = 57


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

Energy: 0.4427700837129107
Energy: 0.6047004390594525
Energy: 0.42948079660966365
Energy: 0.4450835712980033
Energy: 0.6141712923553817
Energy: 0.45416347494001835
Energy: 0.7174092930296192
Energy: 0.5275386670861426
Energy: 0.5278070913692697
Energy: 0.5877132207035923
Energy: 0.5769146520038154
Energy: 0.5521467502183411
Energy: 0.7033225599152084
Energy: 0.5469117569832238
Energy: 0.5466884386131121
Energy: 0.5819810447326804
Energy: 0.5800878412118956
Energy: 0.5572208945074699
Energy: 0.6368587827015149
Energy: 0.6106439798529585
Energy: 0.5439916902912825
Energy: 0.5443802512182196
Energy: 0.6111281912245649
Energy: 0.5646639881006151
Energy: 0.5912549503564745
Energy: 0.30673700444360236
Energy: 0.33611099446884235
Energy: 0.5335454158154193
Energy: 0.3067463553497217
Energy: 0.5280360428492357
Energy: 0.6733506091852306
Energy: 0.3068786786743607
Energy: 0.3080122495556108
Energy: 0.5342369354086077
Energy: 0.30652440735681025
Energy: 0.3333819910629058
Energy: 0.6131354670949999
Energy: 0.5401887534743777
Energy: 0.5374327510664757
Energy: 0.5997507365156275
Energy: 0.5989643257588502
Energy: 0.5553305908107677
Energy: 0.6023495168068894
Energy: 0.6108131911923127
Energy: 0.6194530049994302
Energy: 0.6024316259297682
Energy: 0.610188418198188
Energy: 0.6107867213125134
Energy: 0.6377968480008639
Energy: 0.610640374384351
Energy: 0.6168395333017345
Energy: 0.6076921631160297
Energy: 0.6050012973854085
Energy: 0.6161069745571972
Energy: 0.3135237466335564
Energy: 0.5770326496468104
Energy: 0.3343895536676302
Energy: 0.3067205913467574
Energy: 0.5294432902371082
Energy: 0.3089694822668848
Energy: 0.3062175553944423
Energy: 0.6070390822712668
Energy: 0.6175969955879527
Energy: 0.30650285247022596
Energy: 0.5769375967817154
Energy: 0.33660867148258095
Energy: 0.6399888075142137
Energy: 0.6077588957290002
Energy: 0.6139646134774349
Energy: 0.5808241436958674
Energy: 0.6056960623781966
Energy: 0.6010840401595682
Energy: 0.6445415069309856
Energy: 0.6218827549436478
Energy: 0.6383014639617403
Energy: 0.6426578042875611
Energy: 0.6441991251565705
Energy: 0.6382575129051148
Energy: 0.6487911591376699
Energy: 0.5465961709021312
Energy: 0.5474655005029994
Energy: 0.6383411803530219
Energy: 0.5931908418345802
Energy: 0.5310753289824204
Energy: 0.6810351858214713
Energy: 0.3065271423943695
Energy: 0.30693972512894513
Energy: 0.5356612876372394
Energy: 0.3115839331647221
Energy: 0.30755898837227974
Energy: 0.6977551786467672
Energy: 0.5577618350944133
Energy: 0.5369842205577957
Energy: 0.5296546909058641
Energy: 0.3070689192967055
Energy: 0.5275976288109815
Energy: 0.662151484607749
Energy: 0.575032231708222
Energy: 0.5635919969765539
Energy: 0.5802458035009179
Energy: 0.5671686007094114
Energy: 0.5345229869215964
Energy: 0.6323545333017063
Energy: 0.565952808994857
Energy: 0.5287059915462281
Energy: 0.5337851055401237
Energy: 0.5804077774778426
Energy: 0.5572897220412627
Energy: 0.4441139884141145
Energy: 0.5272326435116313
Energy: 0.5280304942236836
Energy: 0.44438223341180033
Energy: 0.534500824706914
Energy: 0.5580276810537126

minimum gb energy = 0.3062175553944423 eV
minimum distance =  2.60469979912659 Angstroms
sigma value = 11


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

Energy: 1.0064287775446767
Energy: 0.5295941397412708
Energy: 0.6252178192742325
Energy: 0.8044202841698394
Energy: 0.5295398162209856
Energy: 0.5900543426018342
Energy: 0.5402139073561358
Energy: 0.5505673487571398
Energy: 0.568037545058241
Energy: 0.5509219723831154
Energy: 0.5367401033426152
Energy: 0.5355773258849752
Energy: 0.5429192999491466
Energy: 0.5294280738679477
Energy: 0.5291345019635527
Energy: 0.5439884712948407
Energy: 0.5306983323444547
Energy: 0.5418120509144132
Energy: 0.5419855457867587
Energy: 0.5451522151547958
Energy: 0.5658368514569981
Energy: 0.5427924899774633
Energy: 0.539559685637044
Energy: 0.5315346416949506
Energy: 0.5374080636286926
Energy: 0.6263704516635372
Energy: 0.578669580358065
Energy: 0.559021414055062
Energy: 0.5896395322128993
Energy: 0.562550182417879
Energy: 0.5768421680783491
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Energy: 0.6599159058534617
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Energy: 0.7225474183549272
Energy: 0.6135361263065771
Energy: 0.6329011365314398
Energy: 0.6141560914867596
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Energy: 0.6337109246025616
Energy: 0.5824127819013465
Energy: 0.6268630376855324
Energy: 0.6349980353729023
Energy: 0.734083215295025
Energy: 0.7335538831151461
Energy: 0.5584161790111817
Energy: 0.7340476019175527
Energy: 0.5879986283423964
Energy: 0.8076884767525749
Energy: 0.6108212893170946
Energy: 0.6284705435397723
Energy: 0.582895438587089
Energy: 0.5549652707034467
Energy: 0.6295245054667955
Energy: 0.7368830273051798
Energy: 0.7215619983602142
Energy: 0.6428748519579885
Energy: 0.7161545734258365
Energy: 0.7101168030226118
Energy: 0.6437331588564155
Energy: 1.0077806811905314
Energy: 0.5849527822277983
Energy: 0.585008106601882
Energy: 0.5568313811109988
Energy: 0.5833753219254829
Energy: 0.6323951583227483
Energy: 0.6193592755323168
Energy: 0.5659897505149709
Energy: 0.573375390090398
Energy: 0.5383646987544387
Energy: 0.5628632436339308
Energy: 0.5998724205322772
Energy: 0.6422341704634879
Energy: 0.6123119173544356
Energy: 0.6162259215737036
Energy: 0.6521600867574194
Energy: 0.7357926431243452
Energy: 0.6188415681330544
Energy: 0.8077155969614687
Energy: 0.6001248009748026
Energy: 0.5803915721349409
Energy: 0.5577469152085679
Energy: 0.6107363305067832
Energy: 0.5723431011802715
Energy: 0.6632732726860497
Energy: 0.8043858237729422
Energy: 0.8043014357353993
Energy: 0.6640195535455948
Energy: 0.8043404399753907
Energy: 0.6056101959421227
Energy: 0.5356226311532698
Energy: 0.5969909946757245
Energy: 0.5810585644836006
Energy: 0.5363276649914714
Energy: 0.5638436652840138
Energy: 0.5602531115033992
Energy: 0.603255120080353
Energy: 0.6253315762261733
Energy: 0.5928327583366431
Energy: 0.6042537760803682
Energy: 0.6466445885603167
Energy: 0.5911283612891012
Energy: 0.5877950433716875
Energy: 0.5456268919239117
Energy: 0.5774217262064605
Energy: 0.589180079701921
Energy: 0.5423398686860201
Energy: 0.5888341974452992
Energy: 0.6142190395161825
Energy: 0.5690317392419633
Energy: 0.5581917182991
Energy: 0.7167739337521379
Energy: 0.5562769089923177
Energy: 0.5535558173397106

minimum gb energy = 0.5140292777469283 eV
minimum distance =  2.61401039883767 Angstroms
sigma value = 41


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

Energy: 0.9969384854192135
Energy: 0.575647400563673
Energy: 0.5996139886962161
Energy: 0.7826214161897006
Energy: 0.576932387245679
Energy: 0.7806873687335684
Energy: 0.5772428103095902
Energy: 0.5812723933896228
Energy: 0.6002345725355976
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Energy: 0.6008561248279882
Energy: 0.6864034686575387
Energy: 0.6861040283931296
Energy: 0.6011686030365219
Energy: 0.68664562453583
Energy: 0.5839217802578462
Energy: 0.6509857111550935
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Energy: 0.6911821343371727
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Energy: 0.6539528020153285
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Energy: 0.6538226579204921
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Energy: 0.5774474505529686
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Energy: 0.5759178821114157
Energy: 0.6008556001560278
Energy: 0.6740399858784721
Energy: 0.6778935364589666
Energy: 0.601158217252758
Energy: 0.6751302043194806
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Energy: 0.6504027960916792
Energy: 0.575404925097181
Energy: 0.5750531557363204
Energy: 0.6099768986481913
Energy: 0.5842526317563173
Energy: 0.5759047306008953
Energy: 0.7484203251909899
Energy: 0.5879533567937894
Energy: 0.6181064140763253
Energy: 0.708321313529497
Energy: 0.5842245222761399
Energy: 0.5997291516846911
Energy: 0.7479371591033027
Energy: 0.663664238105637
Energy: 0.6966685442914622
Energy: 0.7093378529103123
Energy: 0.6635782673177941
Energy: 0.5788184049536682
Energy: 0.7422885496385648
Energy: 0.55462726869531
Energy: 0.624424120759635
Energy: 0.6162550004676614
Energy: 0.5831045923377765
Energy: 0.5778319667478846
Energy: 0.6644841738655304
Energy: 0.7838104041287255
Energy: 0.7830304104017481
Energy: 0.6642516688262857
Energy: 0.7769633130599753
Energy: 0.7821259300246655
Energy: 0.585606525860186
Energy: 0.6148448753908015
Energy: 0.5829111144587137
Energy: 0.5854612118773675
Energy: 0.6163111046756945
Energy: 0.6002760968238637
Energy: 0.6679390852444468
Energy: 0.6656379934020011
Energy: 0.6781193622689837
Energy: 0.6683701801638685
Energy: 0.6614786957595489
Energy: 0.6690203431335161
Energy: 0.6659370745620576
Energy: 0.5742559038286245
Energy: 0.5758554149964528
Energy: 0.6661956889659053
Energy: 0.5778762732350415
Energy: 0.5743170156942029
Energy: 0.8953059559168627
Energy: 0.6191156560543084
Energy: 0.59511694568757
Energy: 0.7752814777774051
Energy: 0.5769362355007953
Energy: 0.6088352619877746

minimum gb energy = 0.5493739635659396 eV
minimum distance =  2.59947695583583 Angstroms
sigma value = 33


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

Energy: 0.7931331199783196
Energy: 0.6413592572547769
Energy: 0.934788671569434
Energy: 0.7934081766651542
Energy: 1.1592778432210682
Energy: 0.9344721999483022
Energy: 0.6449894130904116
Energy: 0.6283130416015799
Energy: 0.6266740455877263
Energy: 0.6589057837945581
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Energy: 0.6414122154091679
Energy: 0.6270071006386612
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Energy: 0.6421551807083178
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Energy: 0.6076168674859533
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Energy: 0.8430375813891581
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Energy: 0.677422686645487
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Energy: 0.6331575691415311
Energy: 0.6531359044711796
Energy: 0.6307896695293111
Energy: 1.07901788882077
Energy: 0.6474761633514904
Energy: 0.604260399568546
Energy: 0.602190028526513
Energy: 0.8010943132380551
Energy: 0.6093965933363769

minimum gb energy = 0.6019451018566415 eV
minimum distance =  2.61654164494886 Angstroms
sigma value = 67


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

Energy: 0.9385887252536583
Energy: 0.709590521336389
Energy: 0.6416424971207636
Energy: 0.6407131285497635
Energy: 0.7107506287376101
Energy: 0.6412539872297082
Energy: 0.6795240839918348
Energy: 0.6426751889440204
Energy: 0.6417003109729713
Energy: 0.6683580826575872
Energy: 0.647573180318761
Energy: 0.6424084105840125
Energy: 0.6848042118656382
Energy: 0.5866668149229988
Energy: 0.6229016597379831
Energy: 0.6467140540951685
Energy: 0.5856059419205908
Energy: 0.6230996190390964
Energy: 0.680823742359267
Energy: 0.6465209483974761
Energy: 0.6458495486496613
Energy: 0.6471347361918609
Energy: 0.6444549909915355
Energy: 0.6218575060618512
Energy: 0.6764497535736512
Energy: 0.6675106405900628
Energy: 0.6675275608349664
Energy: 0.6773690621575291
Energy: 0.6684439301692435
Energy: 0.6470234658262131
Energy: 0.6810772516786444
Energy: 0.6144365011952386
Energy: 0.6487644593786417
Energy: 0.6815245940749535
Energy: 0.6156753129290059
Energy: 0.6491035528613772
Energy: 0.7405244686190671
Energy: 0.6437907871902394
Energy: 0.6440603953545825
Energy: 0.6363530324904688
Energy: 0.6472785411014508
Energy: 0.643963900507229

minimum gb energy = 0.5856059419205908 eV
minimum distance =  2.65357921259418 Angstroms
sigma value = 3


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

Energy: 0.9480850001159682
Energy: 0.8629405137703849
Energy: 0.7647215950652719
Energy: 0.7045838628125386
Energy: 1.0986054969764165
Energy: 0.7933351813315352
Energy: 0.7355402947850014
Energy: 0.7844060552734105
Energy: 0.7045045497665451
Energy: 0.7010400499224059
Energy: 0.7472565118203408
Energy: 0.6976340471943089
Energy: 0.7410575142219811
Energy: 0.7149746259430879
Energy: 0.7155828244828218
Energy: 0.7069366470350946
Energy: 0.7138066085080822
Energy: 0.7381435542840417
Energy: 0.7361351070640972
Energy: 0.6977968334308836
Energy: 0.734350695432839
Energy: 0.7372601811597413
Energy: 0.716147076772123
Energy: 0.6974279615268558
Energy: 0.7477528843617978
Energy: 0.7338378956111014
Energy: 0.7364253741806557
Energy: 0.7478742926556979
Energy: 0.766303437450263
Energy: 0.7352095161517569
Energy: 0.7471539078941781
Energy: 0.7369960960715698
Energy: 0.7389864446742298
Energy: 0.8071566083588616
Energy: 0.7732345214810723
Energy: 0.7385491259444629
Energy: 0.7444999874094025
Energy: 0.8226401288942645
Energy: 0.7673752596969358
Energy: 0.7662704414073739
Energy: 0.8403306567880365
Energy: 0.7873579859615273
Energy: 0.9071486988225985
Energy: 0.8637134214469666
Energy: 0.7615154939690097
Energy: 0.7160877894383143
Energy: 0.8634435991460511
Energy: 0.7593603134225134
Energy: 0.7545516111991222
Energy: 0.7393769847330777
Energy: 0.7888079983760737
Energy: 0.7728466758675032
Energy: 0.7736275832492278
Energy: 0.7524389923326874
Energy: 0.9335880091528388
Energy: 0.7148893655198018
Energy: 0.7149880066805595
Energy: 0.8713581763575611
Energy: 0.7151686347626826
Energy: 0.7909563915463782
Energy: 0.811101274471049
Energy: 0.7970172517889227
Energy: 0.722741489521824
Energy: 0.8115886821722029
Energy: 0.7177978619290915
Energy: 0.7572378245776724
Energy: 0.8861480758648141
Energy: 0.7416768551414484
Energy: 0.740773493307099
Energy: 0.7843393928865543
Energy: 0.811765975861831
Energy: 0.7400352681526287
Energy: 0.7976761820482399
Energy: 0.7345049458854797
Energy: 0.735687032003429
Energy: 0.7215549314787395
Energy: 0.733074286203698
Energy: 0.736144406230267
Energy: 0.8570440357203949
Energy: 0.7385846224229817
Energy: 0.7313836619434358
Energy: 0.7693184350755837
Energy: 0.7345744506092049
Energy: 0.7314627406929038
Energy: 0.7830073460273468
Energy: 0.7410532789408024
Energy: 0.7588063276348078
Energy: 0.7399484801759906
Energy: 0.7404347273040551
Energy: 0.7396561785052458
Energy: 0.8614034272647052
Energy: 0.7458929768494205
Energy: 0.7368566305416314
Energy: 0.8025382124607259
Energy: 0.7416537169222095
Energy: 0.739071112030132
Energy: 0.9678764074020173
Energy: 0.7474932086588957
Energy: 0.7509741656683646
Energy: 0.9693200110179944
Energy: 0.7579422588936305
Energy: 0.8687010959425039
Energy: 0.8481955930144067
Energy: 0.7502371975743617
Energy: 0.7372254475802235
Energy: 0.878685510049288
Energy: 0.7176017054026391
Energy: 0.7791577001233261
Energy: 0.806050420111595
Energy: 0.7439897167942892
Energy: 0.7362908140159106
Energy: 0.7295972769909503
Energy: 0.7422727436002191
Energy: 0.7152286077584825
Energy: 0.7514874097563243
Energy: 0.772493111738318
Energy: 0.7752796608241397
Energy: 0.729584409245029
Energy: 0.7662464380729481
Energy: 0.7150280815589775
Energy: 0.8167979199999195
Energy: 0.7523734885495608
Energy: 0.7881517050836815
Energy: 0.7539076305397661
Energy: 0.7582769533674454
Energy: 0.7630771935715311
Energy: 0.7693085110117276
Energy: 0.8273325222143351
Energy: 0.7565886478887195
Energy: 0.7415779308019715
Energy: 0.8306449626670348
Energy: 0.7571017945018843
Energy: 0.7751003646256908
Energy: 0.7671157782444309
Energy: 0.7677072372821574
Energy: 0.7718987415482846
Energy: 0.7863878843396197
Energy: 0.7359201548546505
Energy: 0.7692223188041853
Energy: 0.7169254512250405
Energy: 0.7166775341598176
Energy: 0.7699810345278122
Energy: 0.7179530423903746
Energy: 0.7715551060201264
Energy: 0.7366508158390337
Energy: 0.8063507320446336
Energy: 0.7417745550189561
Energy: 0.7929518236439937
Energy: 0.7866648306023367
Energy: 0.73976711542942
Energy: 0.882685833824843
Energy: 0.8206120279325381
Energy: 0.758295212250245
Energy: 0.6976201336993147
Energy: 0.8828348920767071
Energy: 0.7726813285326829
Energy: 0.6965099256076774
Energy: 0.8152521897878916
Energy: 0.7351077438569766
Energy: 0.7014315150966554
Energy: 0.8889772461983114
Energy: 0.7387189991498614
Energy: 0.739859563109779
Energy: 0.7557150715621729
Energy: 0.739752192207441
Energy: 0.8206745029387823
Energy: 0.7769144848963916
Energy: 0.73904811433249
Energy: 0.7484707852535026
Energy: 0.7164264557835085
Energy: 0.7152073490211707
Energy: 0.7487230317516935
Energy: 0.7158495930235206
Energy: 0.7378967363736765
Energy: 0.7363248924076728
Energy: 0.748300446739531
Energy: 0.7469760395368079
Energy: 0.7382375898443517
Energy: 0.7648120016954931
Energy: 0.7353976681048795
Energy: 0.7371237487384247
Energy: 0.7806892146722855
Energy: 0.7503939165069023
Energy: 0.737393819662728
Energy: 0.7395970551576615
Energy: 0.7347061400248412
Energy: 0.7537049812524563
Energy: 0.7686183885297263
Energy: 0.7927722379501465
Energy: 0.8109913547406481
Energy: 0.753291024723472
Energy: 0.7384482069089181
Energy: 0.826624668372273
Energy: 0.823169232101346
Energy: 0.8174358945969384
Energy: 0.714644314106911
Energy: 0.8392893477156979
Energy: 0.7546642785346799
Energy: 0.7643487563710095
Energy: 0.7402886171621582
Energy: 0.7954457494580401
Energy: 0.7677093317597652
Energy: 0.7556318717358804
Energy: 0.7580517204442301
Energy: 0.7718464180192413
Energy: 0.7328739021692386
Energy: 0.7189420376919393
Energy: 0.8450585103269477
Energy: 0.7180098941144792
Energy: 0.7815965187303977
Energy: 0.8364279043414027
Energy: 0.7149612339220615
Energy: 0.7148804696541023
Energy: 0.8380508782058396
Energy: 0.7152110123552674
Energy: 0.7917633825221739
Energy: 0.8475292662253541
Energy: 0.7453616762094563
Energy: 0.7392906431842416
Energy: 0.8216455286038811
Energy: 0.7621063015731128
Energy: 0.7903428764531717
Energy: 0.9587654477562592
Energy: 0.7366698040628679
Energy: 0.7389659655955331
Energy: 0.7357600793020478
Energy: 0.7349058834753684
Energy: 0.8270020904419952
Energy: 0.8609185197792754
Energy: 0.7410105859030689
Energy: 0.7334306993944514
Energy: 0.7714636852907576
Energy: 0.7379229500174607
Energy: 0.7329091154575642
Energy: 0.7955245313467476
Energy: 0.7348511973904776
Energy: 0.7346949907120826
Energy: 0.7387056978337176
Energy: 0.7435974616530752
Energy: 0.7350807047596403
Energy: 0.8653311527672557
Energy: 0.7434641374869718
Energy: 0.7368058211377005
Energy: 0.8037264636903102
Energy: 0.7401206826779163
Energy: 0.7370249023842577
Energy: 0.872446664568413
Energy: 0.7533004723587345
Energy: 0.7377832760665332
Energy: 0.8725095495564036
Energy: 0.7348323944139664
Energy: 0.7444025151217742
Energy: 0.9334253465335026
Energy: 0.7600846717316003
Energy: 0.7461128460702124
Energy: 0.9538773112174356
Energy: 0.7153600509751658
Energy: 0.8015300472811809
Energy: 0.806405332956598
Energy: 0.742608673803031
Energy: 0.7349835650558457
Energy: 0.771768206728707
Energy: 0.7374085145541068
Energy: 0.7384797244062868
Energy: 1.0877366667424995
Energy: 0.774646259092379
Energy: 0.7179610450481366
Energy: 0.7434507648037385
Energy: 0.7712998438241174
Energy: 0.7182195786025924
Energy: 0.7859646572129239
Energy: 0.7757930328657093
Energy: 0.7499408883917473
Energy: 0.7646181574005706
Energy: 0.7706820809898035
Energy: 0.7755702097507183
Energy: 0.8034270248010067
Energy: 0.7608773449792017
Energy: 0.7573887739140865
Energy: 0.7503843041902233
Energy: 0.7569190518941147
Energy: 0.7567136096086258
Energy: 0.8056674380393196
Energy: 0.759360728903267
Energy: 0.7605694849384976
Energy: 0.7398672781837101
Energy: 0.8127897239031717
Energy: 0.760319508841042
Energy: 0.7636625301810909
Energy: 0.7145598111614646
Energy: 0.7376436605339002
Energy: 0.7657949471043539
Energy: 0.7139974682969316
Energy: 0.7749215364053147
Energy: 0.7626876183758298
Energy: 0.7151329716605987
Energy: 0.7156003689063185
Energy: 0.7564404807544797
Energy: 0.7169408391958283
Energy: 0.7380429007502413
Energy: 0.7206628382601227
Energy: 0.7556507672518384
Energy: 0.6980553623151098
Energy: 0.6980144117803544
Energy: 0.7726286877715608
Energy: 0.7011450043265586

minimum gb energy = 0.6965099256076774 eV
minimum distance =  2.62511687879263 Angstroms
sigma value = 81


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

Energy: 1.3367520793866023
Energy: 0.7720072946379448
Energy: 0.7149703359862538
Energy: 0.7183716928785847
Energy: 0.9270657279603508
Energy: 0.7777805780467852
Energy: 0.8592927602161344
Energy: 0.7338090143447421
Energy: 0.733782257967317
Energy: 0.7509986498586781
Energy: 0.7369924358625121
Energy: 0.7381329584323421
Energy: 0.828998413661953
Energy: 0.7542220256560517
Energy: 0.7525368891275932
Energy: 0.777120905310431
Energy: 0.7416416402097086
Energy: 0.8273099165392654
Energy: 0.8181275140268565
Energy: 0.7529891227638937
Energy: 0.8415101487062518
Energy: 0.8201646687332096
Energy: 0.7411731652037656
Energy: 0.7086326950782128
Energy: 0.8304103394325677
Energy: 0.659447205855742
Energy: 0.8358782528119948
Energy: 0.8205927389583613
Energy: 0.8370658283380658
Energy: 0.7768141812201329
Energy: 0.8820761222556425
Energy: 0.7844429985993141
Energy: 0.8032672328001297
Energy: 0.8572595792178518
Energy: 0.8232428182195041
Energy: 0.8430119326449269
Energy: 0.7570912974818145
Energy: 0.7377235550000223
Energy: 0.7705398548485535
Energy: 0.7317989770723468
Energy: 0.8332061984027149
Energy: 0.8313655273679564
Energy: 0.948391278381542
Energy: 0.8962875622971547
Energy: 0.8956530748657952
Energy: 0.7797000355011837
Energy: 0.9378954388164972
Energy: 0.7534012936243356
Energy: 0.7312928702628654
Energy: 0.7370495329248882
Energy: 0.7457205435348352
Energy: 0.7310950334905602
Energy: 0.7620801369778532
Energy: 0.7339303527082996
Energy: 0.740454687376899
Energy: 0.7221750038588949
Energy: 0.7218821552268156
Energy: 0.7439949385728222
Energy: 0.6899093372197108
Energy: 0.6897700113021857
Energy: 0.7779962347405385
Energy: 0.7227535499569281
Energy: 0.7225953829397157
Energy: 0.7581737371286298
Energy: 0.6873121763542359
Energy: 0.7314188219007495
Energy: 0.7739113503456961
Energy: 0.798664239962921
Energy: 0.7977189447248159
Energy: 0.7401564189135313
Energy: 0.7620155926596595
Energy: 0.7351443694509981
Energy: 0.7737057087186142
Energy: 0.8392527972019851
Energy: 0.7900736871889025
Energy: 0.7407684092770329
Energy: 0.8397403881545321
Energy: 0.754748195669785
Energy: 0.7895489348309175
Energy: 0.7825990854537226
Energy: 0.7821482781808738
Energy: 0.7498970806830354
Energy: 0.7846222670437989
Energy: 0.8277288758773685
Energy: 0.8090744684885557
Energy: 0.784996413655542
Energy: 0.8452100067845149
Energy: 0.8432524471392767
Energy: 0.7890139470816941
Energy: 0.8437565633941894
Energy: 0.844179561710646
Energy: 0.8455700717215999
Energy: 0.8404102150779632
Energy: 0.8384704803725578
Energy: 0.8412098584430838
Energy: 0.8380028152691068
Energy: 0.9718724420435654
Energy: 0.7321372113032392
Energy: 0.7486524655790918
Energy: 0.9742530590360545
Energy: 0.7332555997577112
Energy: 0.7484777167811295
Energy: 0.8130282309341859
Energy: 0.801840651148642
Energy: 0.8383961367859366
Energy: 0.81339401856552
Energy: 0.7989302595711472
Energy: 0.8400988619014729
Energy: 0.7413236645385547
Energy: 0.7972668992941482
Energy: 0.7217864452381044
Energy: 0.7188878270896691
Energy: 0.8287413031357992
Energy: 0.7216247161966827
Energy: 0.740527044185391
Energy: 0.7979873530710246
Energy: 0.7216780935538928
Energy: 0.7449059258357548
Energy: 0.8289032798560801
Energy: 0.7216509726842502
Energy: 0.8131797897359988
Energy: 0.7968847076511527
Energy: 0.8381714554051427
Energy: 0.8122851757983427
Energy: 0.8286233539916398
Energy: 0.8093847591857702
Energy: 0.8322695613288108
Energy: 0.7515438814498868
Energy: 0.75294845779944
Energy: 0.8323279459277066
Energy: 0.7539905194439335
Energy: 0.7266499018065125
Energy: 0.836623469867625
Energy: 0.8410621024666487
Energy: 0.8438819108785579
Energy: 0.8015299079156444
Energy: 0.8170659328660073
Energy: 0.8481491744442471
Energy: 0.8081626330811583
Energy: 0.8478366430898897
Energy: 0.8478595622974774
Energy: 0.8470642624011235
Energy: 0.7610118251996727
Energy: 0.8498351929513647
Energy: 0.7852766638627007
Energy: 0.8111733223024526
Energy: 0.8158403278188581
Energy: 0.7496689444050919
Energy: 0.7847391197339455
Energy: 0.7813083963695507
Energy: 0.9795022376116355
Energy: 0.8804141023898695
Energy: 0.8105185826923612
Energy: 0.7760892731997938
Energy: 0.9268594777257774
Energy: 0.7529212022203491
Energy: 0.7951860330912157
Energy: 0.7355038265145111
Energy: 0.761252520266951
Energy: 0.7834638117984208
Energy: 0.7370855363467471
Energy: 0.8233904835553921
Energy: 0.7941513722006053
Energy: 0.7036784017160582
Energy: 0.7316438242803215
Energy: 0.7605180843320941
Energy: 0.7134911635149772
Energy: 0.731708957955747
Energy: 0.7334609000581556
Energy: 0.6903974869241217
Energy: 0.6901272917647423
Energy: 0.7377843908990614
Energy: 0.7225655657980373
Energy: 0.7218775633532528
Energy: 0.7832320191176403
Energy: 0.7368213973431186
Energy: 0.7320967605078064
Energy: 0.7391567640416791
Energy: 0.7904397354157378
Energy: 0.7325809344409805
Energy: 0.7750167551212628
Energy: 0.8474517738580002
Energy: 0.7390741110296506
Energy: 0.7434708671649526
Energy: 0.8545433288286994
Energy: 0.7496238005127553
Energy: 0.77428721135925
Energy: 0.793616892255534
Energy: 0.7950239872001402
Energy: 0.7320043500491626
Energy: 0.826066211638292
Energy: 0.7378134420573963
Energy: 0.8665801986556668
Energy: 0.8453849953466444
Energy: 0.8149521776203071
Energy: 0.759243541033834
Energy: 0.7384615922396521
Energy: 0.7634606674830042
Energy: 0.8251202609037364
Energy: 0.6608723578597606
Energy: 0.8439469467390569
Energy: 0.8220004728513213
Energy: 0.8417100834290979
Energy: 0.7893052975363118
Energy: 0.8250871614036245
Energy: 0.7191060383810531
Energy: 0.8445366505299343
Energy: 0.8274762849703583
Energy: 0.7317238665890914
Energy: 0.7349592048131934
Energy: 0.9310470963155236
Energy: 0.7322165542558277
Energy: 0.7328892799973418
Energy: 0.9067101678577151
Energy: 0.7794358725404087
Energy: 0.9140391221770648
Energy: 0.8596972183514601
Energy: 0.7341080833083491
Energy: 0.7343715144451625
Energy: 0.7511110696937006
Energy: 0.7382217801847474
Energy: 0.7356183332305659
Energy: 0.7930693065159482
Energy: 0.7445634283545827
Energy: 0.7143677979967386
Energy: 0.7109397404583
Energy: 0.7446090230647696
Energy: 0.7780916962784007

minimum gb energy = 0.659447205855742 eV
minimum distance =  2.65104178385006 Angstroms
sigma value = 43


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

Energy: 0.8332957716181492
Energy: 0.9172838378461325
Energy: 0.8385338427126706
Energy: 0.7210810797504682
Energy: 0.91873871924173
Energy: 0.7190575972782626
Energy: 0.7031657757772757
Energy: 0.7110666004717425
Energy: 0.7363218301466097
Energy: 0.7023572149677564
Energy: 0.6948549328130074
Energy: 0.7031262111509058
Energy: 0.7137075541004161
Energy: 0.6881912104279782
Energy: 0.6884240609325213
Energy: 0.7096594971845599
Energy: 0.6879851695393007
Energy: 0.7032493182477252
Energy: 0.7022840531906004
Energy: 0.6877449746845399
Energy: 0.7031698608140948
Energy: 0.7034043582019127
Energy: 0.6875570502297392
Energy: 0.7023126304149259
Energy: 0.7028223961206652
Energy: 0.7263703880802871
Energy: 0.7428564875673929
Energy: 0.7034342258736872
Energy: 0.7452212932045508
Energy: 0.7465653993620481
Energy: 0.7028444201587842
Energy: 0.7336698629059096
Energy: 0.7447121100854808
Energy: 0.7458730066377447
Energy: 0.7043117326718223
Energy: 0.7416845597060837
Energy: 0.7028300200494813
Energy: 0.7019841789977113
Energy: 0.7023009773756941
Energy: 0.7028197399325576
Energy: 0.7019445913141067
Energy: 0.7024087647378243
Energy: 0.7699587811214426
Energy: 0.706942233759472
Energy: 0.7061206391940578
Energy: 0.6916937035639676
Energy: 0.7074943073581331
Energy: 0.7043039904393597
Energy: 0.7576507162054316
Energy: 0.7028607010394602
Energy: 0.7032458105926429
Energy: 0.7576883244642382
Energy: 0.7026332553379466
Energy: 0.7032226070758735
Energy: 0.919025728742707
Energy: 0.7033269885999639
Energy: 0.7771031273993966
Energy: 0.8152022629287756
Energy: 0.7031418040232472
Energy: 0.7753894737303205
Energy: 0.8204353492475664
Energy: 0.6903327707293403
Energy: 0.7263512717136591
Energy: 0.7080369571679797
Energy: 0.6952827415725903
Energy: 0.7346079181570083
Energy: 0.8168277087109392
Energy: 0.7020139579670842
Energy: 0.7019029420518825
Energy: 0.6877798912450496
Energy: 0.7024762168950909
Energy: 0.7021089639673755
Energy: 0.7203253233408144
Energy: 0.7027659795726043
Energy: 0.7140596286728689
Energy: 0.6894632006365904
Energy: 0.7583926105858784
Energy: 0.7141660413097584
Energy: 0.6920061461915021
Energy: 0.7036212969887473
Energy: 0.7844498009393533
Energy: 0.7066212352504272
Energy: 0.7030557530020947
Energy: 0.705243494498672
Energy: 0.6919499355830454
Energy: 0.7573326667747221
Energy: 0.7263697170595464
Energy: 0.6917472932183233
Energy: 0.7680610825049072
Energy: 0.7044230961367619
Energy: 0.6911815234378467
Energy: 0.7060581233845024
Energy: 0.6901150180466014
Energy: 0.6900933990821821
Energy: 0.7238471501618269
Energy: 0.6905247810486664
Energy: 0.6962848451508228
Energy: 0.695509180046213
Energy: 0.6957463734719751
Energy: 0.6963250554480012
Energy: 0.703430324110153
Energy: 0.6960567606274884
Energy: 0.6945694112832389
Energy: 0.6916707751139177
Energy: 0.6899200702979241
Energy: 0.7248509594450685
Energy: 0.6913038989830498
Energy: 0.6896493659919016
Energy: 0.8753480883033097
Energy: 0.6922568908912965
Energy: 0.6920795840960098
Energy: 0.7496952975861185
Energy: 0.6930541181408193
Energy: 0.7009737208330814
Energy: 0.7578893480164101
Energy: 0.6927341093814638
Energy: 0.6926502164436731
Energy: 0.7078083250995193
Energy: 0.7591150402200785
Energy: 0.7010199875262635
Energy: 0.6952197066680582
Energy: 0.6912772911046781
Energy: 0.7273520436595654
Energy: 0.7158943603687447
Energy: 0.6879258902586315
Energy: 0.6904961519161033
Energy: 0.8167294581858484
Energy: 0.715739522544475
Energy: 0.715983800300815
Energy: 0.8166323570431185
Energy: 0.6904397775303196
Energy: 0.7175638280771484
Energy: 0.8143918185697249
Energy: 0.6905189497786779
Energy: 0.6909318850698687
Energy: 0.758313160569485
Energy: 0.6904336476107636
Energy: 0.6910121044818043
Energy: 0.8090403086009684
Energy: 0.6946168217902193
Energy: 0.6946867111507383
Energy: 0.7263041953774829
Energy: 0.6924328182719077
Energy: 0.6945354308071234
Energy: 0.8213297273337998
Energy: 0.6914619746222211
Energy: 0.6911659624748431
Energy: 0.6915070280704881
Energy: 0.6910574283479517
Energy: 0.6903443673840375
Energy: 0.7654342315365341
Energy: 0.6920110172067439
Energy: 0.7052651449014756
Energy: 0.7025178508188341
Energy: 0.6927905552225094
Energy: 0.7052643450553749
Energy: 0.7660279144417235
Energy: 0.7049185788968405
Energy: 0.7048183183160426
Energy: 0.7031429793806236
Energy: 0.7109976207012448
Energy: 0.705130460057658
Energy: 0.7615542372026861
Energy: 0.7080351500214483
Energy: 0.703321066274227
Energy: 0.7032930342999786
Energy: 0.7110926338187653
Energy: 0.7022368465656261
Energy: 0.799436496293325
Energy: 0.7028110247934083
Energy: 0.7030113886205758
Energy: 0.7997076580671015
Energy: 0.6907298637471604
Energy: 0.7029587474112863
Energy: 0.7025457776185846
Energy: 0.6937255907655875
Energy: 0.7422732635673305
Energy: 0.7025796173514485
Energy: 0.6956169022758788
Energy: 0.7027194578482938
Energy: 0.7994579977514131
Energy: 0.8390770345411847
Energy: 0.7989152362102363
Energy: 0.7141900150690319
Energy: 0.9273553162711236
Energy: 0.793027772079638

minimum gb energy = 0.6875570502297392 eV
minimum distance =  2.5627872306107 Angstroms
sigma value = 57


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

Energy: 0.88001519177021
Energy: 0.7217769898169777
Energy: 0.7413499840179565
Energy: 0.6873238962545468
Energy: 0.7219962176238659
Energy: 0.7411867272703432
Energy: 0.7002111595851275
Energy: 0.7044259364203447
Energy: 0.7026688843688115
Energy: 0.7127942958249481
Energy: 0.7130887162708731
Energy: 0.683093202816407
Energy: 0.7428818842335005
Energy: 0.6505557056188032
Energy: 0.6504818892196523
Energy: 0.7173605249213151
Energy: 0.6508741453491482
Energy: 0.6507043842833032
Energy: 0.7006425523526338
Energy: 0.6501417902777298
Energy: 0.6498819054314032
Energy: 0.7023418149687367
Energy: 0.6499740921095255
Energy: 0.7022832815421537
Energy: 0.7049929843380847
Energy: 0.6816445129465586
Energy: 0.6805698133428282
Energy: 0.7053987950728928
Energy: 0.6806302467628325
Energy: 0.7003789553335454
Energy: 0.6999732240881076
Energy: 0.6800318647494209
Energy: 0.6803588983227643
Energy: 0.6828759179101136
Energy: 0.6982864825732124
Energy: 0.6795896658031368
Energy: 0.7145647752054295
Energy: 0.7017171252168857
Energy: 0.702443178670046
Energy: 0.7153713481037061
Energy: 0.7008551399085252
Energy: 0.7144542234945437
Energy: 0.7357058701250001
Energy: 0.7027672106319609
Energy: 0.7124187835973557
Energy: 0.6865557687010211
Energy: 0.7179218064054069
Energy: 0.7098685731552384
Energy: 0.7113318517755949
Energy: 0.7021003658093724
Energy: 0.7046988767965067
Energy: 0.7119583491939272
Energy: 0.7030689088194583
Energy: 0.7007038443395924
Energy: 0.7212735287499241
Energy: 0.696425670673493
Energy: 0.6963431894795774
Energy: 0.721838773825511
Energy: 0.6959178765016448
Energy: 0.6959695772473594
Energy: 0.7519921902348916
Energy: 0.6803054171469035
Energy: 0.7197358826864901
Energy: 0.7179287456771563
Energy: 0.6986298553156266
Energy: 0.7010352791000379
Energy: 0.6494748370799466
Energy: 0.7041606674818763
Energy: 0.700773797717499
Energy: 0.6517411925742936
Energy: 0.7192529236842014
Energy: 0.7378155756575824
Energy: 0.6541251203274299
Energy: 0.7028612472022048
Energy: 0.7385783872845124
Energy: 0.6984671727159352
Energy: 0.723707757885937
Energy: 0.7386651758523608
Energy: 0.7527073604574303
Energy: 0.7066226564511817
Energy: 0.6827847454502142
Energy: 0.7136814686209569
Energy: 0.7133454697945232
Energy: 0.7007731272759697
Energy: 0.7171629594595402
Energy: 0.6501912712706501
Energy: 0.6499360962125323
Energy: 0.7170050844948755
Energy: 0.6496729586001211
Energy: 0.6579803460373094
Energy: 0.7033325832196106
Energy: 0.6956712854628323
Energy: 0.6993514112734286
Energy: 0.7025953313942104
Energy: 0.6837842920079942
Energy: 0.701458454404763
Energy: 0.7042395470238708
Energy: 0.6839563838363352
Energy: 0.683407089446875
Energy: 0.7001837402188072
Energy: 0.6872571434965961
Energy: 0.697581601811493
Energy: 0.7081869371384241
Energy: 0.7012431071882428
Energy: 0.681212951124778
Energy: 0.6998001558736392
Energy: 0.7033542127255015
Energy: 0.6807456947349902
Energy: 0.7152272165134549
Energy: 0.7034835287771202
Energy: 0.7039700387173169
Energy: 0.7128555847529352
Energy: 0.7018625314491302
Energy: 0.7020907989663128
Energy: 0.7131302752562388
Energy: 0.7020531050890704
Energy: 0.702578585603787
Energy: 0.7119236654656025
Energy: 0.7042369313522753
Energy: 0.7026525967754934
Energy: 0.7142055845106302
Energy: 0.7081716261035699
Energy: 0.7106051384971735
Energy: 0.7149719901974876
Energy: 0.7064037934027741
Energy: 0.7016967871893948
Energy: 0.7180046204660867
Energy: 0.6984307498709851
Energy: 0.6981299402384725
Energy: 0.7172506778087501
Energy: 0.6981357133053495
Energy: 0.7130201450796655
Energy: 0.7524292067980154
Energy: 0.7062096168286724
Energy: 0.7091113929550975
Energy: 0.7127404043929874
Energy: 0.7134201448483475
Energy: 0.7077100346796513
Energy: 0.6544035773613324
Energy: 0.701220148024426
Energy: 0.7388447619850469
Energy: 0.6988838205630468
Energy: 0.7225513328306615
Energy: 0.7387474172556565

minimum gb energy = 0.6494748370799466 eV
minimum distance =  2.60594638860948 Angstroms
sigma value = 17


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

Energy: 0.641973924596813
Energy: 0.7215475298795004
Energy: 0.7895524109948465
Energy: 0.6949888149205604
Energy: 0.7652679229318168
Energy: 0.6797536604473258
Energy: 0.8319291767441805
Energy: 0.7705148837629736
Energy: 0.7709649156494773
Energy: 0.7722568938345071
Energy: 0.7726315503144959
Energy: 0.7121682913838002
Energy: 0.741883918878012
Energy: 0.6820363347524254
Energy: 0.6814888259629557
Energy: 0.7478808823302164
Energy: 0.6807289546601862
Energy: 0.6811988604327739
Energy: 0.7756399408597765
Energy: 0.6805752564714432
Energy: 0.6807247880282518
Energy: 0.7766760449577936
Energy: 0.6916840123665058
Energy: 0.7723788326072581
Energy: 0.6695018680165045
Energy: 0.701259661988558
Energy: 0.6870880329550526
Energy: 0.6688813331890607
Energy: 0.660928197981343
Energy: 0.6869409576320114
Energy: 0.6818484081744492
Energy: 0.6657205537683005
Energy: 0.6874145048290012
Energy: 0.6821949421653112
Energy: 0.6688437941074808
Energy: 0.6847006372513409
Energy: 0.6602214675247162
Energy: 0.6583622690051828
Energy: 0.6586866350671929
Energy: 0.6596000869254605
Energy: 0.6629586139610784
Energy: 0.6694120581559941
Energy: 0.6603272211045244
Energy: 0.6795277811953734
Energy: 0.6801293049249078
Energy: 0.6800510721755527
Energy: 0.679316606767783
Energy: 0.6740869161374284
Energy: 0.6616724982900757
Energy: 0.679270458721272
Energy: 0.6676390504394495
Energy: 0.6633919241707685
Energy: 0.6798061821412276
Energy: 0.6588004699988786
Energy: 0.664761968919575
Energy: 0.6871898894047545
Energy: 0.6882574769024895
Energy: 0.6644225986552619
Energy: 0.686516385736264
Energy: 0.6860486340876805
Energy: 0.7841602143931352
Energy: 0.6886495146850188
Energy: 0.6866833138567412
Energy: 0.6922731267483347
Energy: 0.6697069486304944
Energy: 0.6868765999490654
Energy: 0.7690522593096868
Energy: 0.7714034620619075
Energy: 0.7714388769164744
Energy: 0.7664841124568692
Energy: 0.7763025756291307
Energy: 0.7706596449952046
Energy: 0.6674373392416526
Energy: 0.7478661997122044
Energy: 0.7520954474033756
Energy: 0.6677850278705907
Energy: 0.7488692072947163
Energy: 0.7745036328878192
Energy: 0.8813248114583425
Energy: 0.7719971988353299
Energy: 0.771171325728395
Energy: 0.7731356131953402
Energy: 0.7724108297845447
Energy: 0.7114322903849736
Energy: 0.7665191545377562
Energy: 0.7381484552142248
Energy: 0.7401054588542745
Energy: 0.7668503350853124
Energy: 0.7383026994606672
Energy: 0.7598707706029532
Energy: 0.737267367934674
Energy: 0.794764523869351
Energy: 0.7140770471385431
Energy: 0.7722196119253414
Energy: 0.7943535168454717
Energy: 0.7707612278109188
Energy: 0.7562770223315846
Energy: 0.7547929570417209
Energy: 0.8593650195435497
Energy: 0.7005722027251947
Energy: 0.7565583716658104
Energy: 0.8583938460612788

minimum gb energy = 0.641973924596813 eV
minimum distance =  2.60582363319527 Angstroms
sigma value = 17


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

Energy: 0.6241474872068642
Energy: 1.0005305655716497
Energy: 0.7208771247670126
Energy: 0.6813125027344794
Energy: 0.9971870535672066
Energy: 0.6803914892553801
Energy: 0.7707603185690107
Energy: 0.7821578906239414
Energy: 0.665373161266974
Energy: 0.7868982416392264
Energy: 0.7774117854279031
Energy: 0.7107663143392438
Energy: 0.9196447142537568
Energy: 0.6489924790763109
Energy: 0.6870368843436266
Energy: 0.7856088020038318
Energy: 0.6490366462285359
Energy: 0.6960161363264902
Energy: 0.7814450201608628
Energy: 0.6950781103480582
Energy: 0.6951718744420351
Energy: 0.7826687979482738
Energy: 0.6566359281939853
Energy: 0.6943321324317709
Energy: 0.668538781807818
Energy: 0.6636937555648771
Energy: 0.6765127734377416
Energy: 0.6690712351583494
Energy: 0.6607762735102195
Energy: 0.665860224486411
Energy: 0.5972208856735134
Energy: 0.6594642005689155
Energy: 0.6351668121137908
Energy: 0.6509887738603949
Energy: 0.6586290981474421
Energy: 0.6386489309487805
Energy: 0.6202280780689701
Energy: 0.6658710789672564
Energy: 0.6570058299432677
Energy: 0.6292420725862349
Energy: 0.6618325113312489
Energy: 0.6432722206366829
Energy: 0.6090103759010949
Energy: 0.6268093629146805
Energy: 0.6362350448553082
Energy: 0.6346983373846885
Energy: 0.6263989722574284
Energy: 0.6363955030419391
Energy: 0.6087276789986558
Energy: 0.6276316022509395
Energy: 0.609769268575808
Energy: 0.6102080781988732
Energy: 0.6213205119159064
Energy: 0.6074143705434676
Energy: 0.6080823193030844
Energy: 0.6279747329598817
Energy: 0.6281892797325705
Energy: 0.6084880538420538
Energy: 0.6276964735670236
Energy: 0.6285258502445588
Energy: 0.6568707593614467
Energy: 0.6091046162768845
Energy: 0.6279038518975071
Energy: 0.6288152087353941
Energy: 0.6082197317261004
Energy: 0.6295288463607074
Energy: 0.6114031645011665
Energy: 0.6187563271903074
Energy: 0.6075295688205414
Energy: 0.6203705802230864
Energy: 0.6138424415638498
Energy: 0.627327906779005
Energy: 0.6212930721775737
Energy: 0.6292078090620732
Energy: 0.634349944633681
Energy: 0.6338266706422202
Energy: 0.6295334341292774
Energy: 0.634837942279873
Energy: 0.6571802754288196
Energy: 0.6316477225481291
Energy: 0.6329883319691595
Energy: 0.6588508793423928
Energy: 0.6387763957480146
Energy: 0.6571899321010277
Energy: 0.658185900337676
Energy: 0.6413407507744461
Energy: 0.6404373079651252
Energy: 0.6583685332333907
Energy: 0.6356826358980231
Energy: 0.6649026220989775
Energy: 0.8479885465302776
Energy: 0.6618749656978007
Energy: 0.6744568902201521
Energy: 0.6590176714148113
Energy: 0.6904387091552667
Energy: 0.6734437989345382
Energy: 0.6861610572351842
Energy: 0.7774060348862444
Energy: 0.7779687707370939
Energy: 0.6175203855920005
Energy: 0.7836375029589615
Energy: 0.656596644804898
Energy: 0.6861641734237538
Energy: 0.7777784479854726
Energy: 0.7784006531512342
Energy: 0.6795328943269547
Energy: 0.7823587449553538
Energy: 0.6746244503041722
Energy: 0.8619705805122831
Energy: 0.7776164202560502
Energy: 0.7201854479061008
Energy: 0.7768926971851627
Energy: 0.6570126353895003
Energy: 0.6729439828022393
Energy: 0.8351404284330556
Energy: 0.6814121862200532
Energy: 0.6803769521530006
Energy: 0.8822162598672734
Energy: 0.6800741529713341
Energy: 0.7527416974932597
Energy: 0.9076180280299655
Energy: 0.7764323378105307
Energy: 0.6648712669650518
Energy: 0.7794052750249288
Energy: 0.7841066328601868
Energy: 0.7741778108878847
Energy: 0.7739976671701733
Energy: 0.7767249968427469
Energy: 0.8210012369216882
Energy: 0.6941503307095007
Energy: 0.7874941873075114
Energy: 0.6952203553093697
Energy: 0.7788034150096722
Energy: 0.7832606862163388
Energy: 0.7771848305608593
Energy: 0.7096697960862771
Energy: 0.7802112188030906
Energy: 0.756476007383423
Energy: 0.9026827097899546
Energy: 0.6833389330850786
Energy: 0.6738114305921896
Energy: 0.7795101381272218
Energy: 0.6480889956944009
Energy: 0.7737923764336012
Energy: 0.7749795817180621
Energy: 0.6279559553159969
Energy: 0.6882848613612864
Energy: 0.7755947270836427
Energy: 0.6483194614061543
Energy: 0.6966322832267703
Energy: 0.6713493377541754
Energy: 0.6605672344246644
Energy: 0.6759599469788786
Energy: 0.6713530005955713
Energy: 0.6635172502674314
Energy: 0.7177672615772717
Energy: 0.5962030512173331
Energy: 0.6608824970806928
Energy: 0.6607160625551108
Energy: 0.6425098313282325
Energy: 0.6794342915754391
Energy: 0.6392289869262228
Energy: 0.6575481134967799
Energy: 0.6654594479945027
Energy: 0.6564994245976327
Energy: 0.6581357013720632
Energy: 0.6602321752918192
Energy: 0.6561208657804571
Energy: 0.6115364279563631
Energy: 0.63488598904028
Energy: 0.6371506453917323
Energy: 0.6277395118813024
Energy: 0.6193219566335125
Energy: 0.6351461843794524
Energy: 0.620839873877359
Energy: 0.6263737434454939
Energy: 0.6358088005154207
Energy: 0.6076675559296916
Energy: 0.6259166794622703
Energy: 0.6384733806516268
Energy: 0.6142326472494896
Energy: 0.6257576815498441
Energy: 0.6262892014808514
Energy: 0.6155834555424806
Energy: 0.6257157471413934
Energy: 0.6190666593392256
Energy: 0.6229577777602322
Energy: 0.6255529235852856
Energy: 0.6256003050785469
Energy: 0.6257433396223144
Energy: 0.6256515688153049
Energy: 0.6257006045683693
Energy: 0.6205514112387123
Energy: 0.6151401633608304
Energy: 0.6071413593710299
Energy: 0.6105909753382622
Energy: 0.6093314773273293
Energy: 0.6070271455369137
Energy: 0.609273121873223
Energy: 0.6382571652281499
Energy: 0.6328658240006924
Energy: 0.6318620727433868
Energy: 0.6305195805229679
Energy: 0.6332642226362334
Energy: 0.6665896799448322
Energy: 0.6295222236917819
Energy: 0.6375059817639509
Energy: 0.6672551974342239
Energy: 0.6297961202509448
Energy: 0.634198865094724
Energy: 0.6672078416113905
Energy: 0.6360882500945754
Energy: 0.6749369181438625
Energy: 0.6681296538146975
Energy: 0.6360167122608564
Energy: 0.6587607557480836
Energy: 0.8382095961918922
Energy: 0.6631455286990848
Energy: 0.6638785939024036
Energy: 0.6627583465202054
Energy: 0.6132865001271899
Energy: 0.6746645392900158
Energy: 0.6086282540583988
Energy: 0.7824902989017501
Energy: 0.7753246885048986
Energy: 0.669315084345035
Energy: 0.776646667419828
Energy: 0.6733960538546313
Energy: 0.6081738715574229
Energy: 0.7660136608353776
Energy: 0.6812847180823313
Energy: 0.6754255383132262
Energy: 0.7639028891312593
Energy: 0.6815474566554879
Energy: 0.7585889880110858
Energy: 0.7839265340954804
Energy: 0.7780826964606259
Energy: 0.670912697078322
Energy: 0.7784505756087123
Energy: 0.7177684992160474
Energy: 0.8700846007194506
Energy: 0.6642186332325434
Energy: 0.729499509062332
Energy: 0.7765387767335382
Energy: 0.6637007927628165
Energy: 0.7574131872416384
Energy: 0.9035084094041411
Energy: 0.7244894739659018
Energy: 0.6660460635902729
Energy: 0.779528940419998
Energy: 0.6705750923115938
Energy: 0.7747160107649549
Energy: 0.7803153267396311
Energy: 0.7824480363938972
Energy: 0.7779963356539076
Energy: 0.7110262283696053
Energy: 0.778627497123741
Energy: 0.7544448082599695

minimum gb energy = 0.5962030512173331 eV
minimum distance =  2.59045902057073 Angstroms
sigma value = 57


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

Energy: 0.5746591048776389
Energy: 0.8834470830070102
Energy: 0.6988656731500811
Energy: 0.6219680705034053
Energy: 0.944693666851644
Energy: 0.6944568036036057
Energy: 0.7873143763167599
Energy: 0.6568061202946568
Energy: 0.6331910709709012
Energy: 0.7695913397318057
Energy: 0.7612316358262142
Energy: 0.6347368973307131
Energy: 0.8664927891623545
Energy: 0.6133235122035927
Energy: 0.6202753539884983
Energy: 0.7691549162324999
Energy: 0.6127471377967406
Energy: 0.6805626184471066
Energy: 0.7627107308863154
Energy: 0.6180740638742148
Energy: 0.679697661138039
Energy: 0.7638885195796605
Energy: 0.654681747379106
Energy: 0.6898814015736414
Energy: 0.6463816788303826
Energy: 0.6581519773303358
Energy: 0.6391403814882716
Energy: 0.6471260320446547
Energy: 0.6551609264366421
Energy: 0.6312577169941914
Energy: 0.5599174459343447
Energy: 0.6529563220248256
Energy: 0.616414801096487
Energy: 0.5946898404219837
Energy: 0.6703249891296742
Energy: 0.6163638836086248
Energy: 0.7956277449706649
Energy: 0.6617683431768471
Energy: 0.665235030590009
Energy: 0.6063018333243064
Energy: 0.656997711941704
Energy: 0.6244911556675004
Energy: 0.7722073174941793
Energy: 0.5850560757273006
Energy: 0.586468556620242
Energy: 0.6466283235245651
Energy: 0.5840855307180431
Energy: 0.5990055459800837
Energy: 0.597367924841868
Energy: 0.60802685969686
Energy: 0.5925414712036992
Energy: 0.5981478975468917
Energy: 0.5996658855431432
Energy: 0.6091083976807757
Energy: 0.6101976672414382
Energy: 0.5834728723980933
Energy: 0.582671235676061
Energy: 0.6107961524674526
Energy: 0.5832376889338414
Energy: 0.5825612670546685
Energy: 0.5724435794577348
Energy: 0.5660804666762895
Energy: 0.5876230997792674
Energy: 0.5768263892914275
Energy: 0.5823121750278549
Energy: 0.5852703787971567
Energy: 0.5978785769222893
Energy: 0.5759930051938059
Energy: 0.5804630482820274
Energy: 0.5822119157467981
Energy: 0.5710235394030164
Energy: 0.5790873529830103
Energy: 0.5672414974202322
Energy: 0.58359313076862
Energy: 0.5843116505709378
Energy: 0.5837524249348918
Energy: 0.5895984148469552
Energy: 0.5836062610553399
Energy: 0.5683513154601078
Energy: 0.5786221602895479
Energy: 0.5659649446856244
Energy: 0.5698587449337111
Energy: 0.5883826158630627
Energy: 0.5824560561948574
Energy: 0.5668737440909534
Energy: 0.5896732729059246
Energy: 0.58762034651942
Energy: 0.5668833114854348
Energy: 0.5888675199856179
Energy: 0.5781525249816211
Energy: 0.7020292130620174
Energy: 0.6080834347748034
Energy: 0.5833610784240727
Energy: 0.586519945939839
Energy: 0.6063463505101486
Energy: 0.5840042710629114
Energy: 0.5682146832084954
Energy: 0.6059735355211189
Energy: 0.5924635345797079
Energy: 0.6142635336167214
Energy: 0.601613033524969
Energy: 0.6083956112017227
Energy: 0.5700532287182682
Energy: 0.6082283067121488
Energy: 0.6057416005494085
Energy: 0.5710634377924415
Energy: 0.6075329650406753
Energy: 0.6004787887344636
Energy: 0.6524457079379329
Energy: 0.6075972965795695
Energy: 0.6556701072044163
Energy: 0.6547651060379697
Energy: 0.6154390275574751
Energy: 0.6673992917625192
Energy: 0.8139483504408311
Energy: 0.6132595623430793
Energy: 0.6083436991193238
Energy: 0.6656495490777166
Energy: 0.6138565071916573
Energy: 0.632940596561553
Energy: 0.8152796861821447
Energy: 0.6612767324087944
Energy: 0.6563257985436423
Energy: 0.6552122250671969
Energy: 0.6615541314818495
Energy: 0.6553256861911967
Energy: 0.6358555946191357
Energy: 0.7164403154475233
Energy: 0.6510867069092745
Energy: 0.6022140056919216
Energy: 0.7707306448812791
Energy: 0.6390928930631353
Energy: 0.6577836616447612
Energy: 0.7670219804889217
Energy: 0.7484940065441774
Energy: 0.6600725563735023
Energy: 0.7638396587466657
Energy: 0.7056154997456119
Energy: 0.8300277273464018
Energy: 0.6518279085588492
Energy: 0.6339467890915504
Energy: 0.7605415783101795
Energy: 0.6608579824763325
Energy: 0.6591455185332692
Energy: 0.8715281058689739
Energy: 0.6386941320380778
Energy: 0.6551681297281482
Energy: 0.7491451095017004
Energy: 0.64381188285069
Energy: 0.7240792412844812
Energy: 0.8685432348766052
Energy: 0.7738592518103262
Energy: 0.7431735116675848
Energy: 0.7645360607446722
Energy: 0.7659123069498798
Energy: 0.6438966830432947
Energy: 0.7135904158036603
Energy: 0.7202380854700869
Energy: 0.6942021710736976
Energy: 0.6174268383249387
Energy: 0.7482779395637379
Energy: 0.6925730688360825

minimum gb energy = 0.5599174459343447 eV
minimum distance =  2.57692664278731 Angstroms
sigma value = 43


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

Energy: 0.5004592701443901
Energy: 0.6330302390454792
Energy: 0.6290295454042766
Energy: 0.5309440804542267
Energy: 0.6729072527288944
Energy: 0.5340267553449807
Energy: 0.6944414301994403
Energy: 0.5387112959556798
Energy: 0.529481628488064
Energy: 0.6322414086688867
Energy: 0.593830388817662
Energy: 0.5250578627558329
Energy: 0.7562490392813926
Energy: 0.5126246915451197
Energy: 0.5321873091325515
Energy: 0.6325355939855097
Energy: 0.5123414183820044
Energy: 0.5482985902420281
Energy: 0.6575159407089735
Energy: 0.5314510777796283
Energy: 0.5490405733732047
Energy: 0.6185184183752834
Energy: 0.5568586762520806
Energy: 0.5949356450040526
Energy: 0.6594188781112235
Energy: 0.5356537813082968
Energy: 0.5259465446165917
Energy: 0.5651632673974099
Energy: 0.5953751485077159
Energy: 0.5258097331733604
Energy: 0.4816426485307297
Energy: 0.592027818567827
Energy: 0.5224629138467001
Energy: 0.49692085827757626
Energy: 0.5917068013510001
Energy: 0.5177449991702305
Energy: 0.6587374478808017
Energy: 0.5924805739829301
Energy: 0.5920584123451907
Energy: 0.5327741673177202
Energy: 0.5975771862223804
Energy: 0.5019230048372538
Energy: 0.6864999018471073
Energy: 0.48980667264580346
Energy: 0.4983243937306475
Energy: 0.5315639694103035
Energy: 0.48973791008086526
Energy: 0.49777156699438946
Energy: 0.5420454948457137
Energy: 0.4967353053550453
Energy: 0.5394214764915903
Energy: 0.5433673760284112
Energy: 0.49393972176880624
Energy: 0.5394751281084327
Energy: 0.5200180383870562
Energy: 0.48876769058141967
Energy: 0.4891128217742355
Energy: 0.5403429005738063
Energy: 0.4879683999170501
Energy: 0.4881303208171919
Energy: 0.47697451267383784
Energy: 0.5069196530037282
Energy: 0.4842418604931491
Energy: 0.4821359894680156
Energy: 0.5067430409337425
Energy: 0.48374494207267754
Energy: 0.5451676277922496
Energy: 0.5071990329698474
Energy: 0.5070483525064653
Energy: 0.4826305969016895
Energy: 0.5153215277747585
Energy: 0.4813691332347768
Energy: 0.6510729041995441
Energy: 0.5069282944345208
Energy: 0.5085984195183592
Energy: 0.5408098688237086
Energy: 0.474217642714277
Energy: 0.5197142851193878
Energy: 0.4880924932625293
Energy: 0.49096639996116576
Energy: 0.4883177616129797
Energy: 0.48979254609284506
Energy: 0.4789833523185571
Energy: 0.48798380089695187
Energy: 0.48805232997632464
Energy: 0.4761014645954474
Energy: 0.4770808739707275
Energy: 0.48811831397161964
Energy: 0.4761950157886563
Energy: 0.4766671887277698
Energy: 0.48057209044865373
Energy: 0.47922513065203015
Energy: 0.48018625616173016
Energy: 0.4734978427753287
Energy: 0.479063274871662
Energy: 0.47484252100455127
Energy: 0.49129157089989844
Energy: 0.4790061912008798
Energy: 0.4793369220508195
Energy: 0.4918724824493032
Energy: 0.47889553406453145
Energy: 0.4777594953838979
Energy: 0.4797288096742098
Energy: 0.4772414465475951
Energy: 0.4771540907841397
Energy: 0.48009437059012416
Energy: 0.4780066877954799
Energy: 0.47730860963944616
Energy: 0.4789299977864018
Energy: 0.4854841005311422
Energy: 0.4795223760731266
Energy: 0.4804891705071263
Energy: 0.5332101230350174
Energy: 0.47897204896644474
Energy: 0.48024196282031867
Energy: 0.48196191063272253
Energy: 0.4818545743348477
Energy: 0.5688808973941368
Energy: 0.48294249299046393
Energy: 0.4819952837792461
Energy: 0.510375599431974
Energy: 0.48803157634818567
Energy: 0.48837359499100186
Energy: 0.48102583103567076
Energy: 0.4880634413250985
Energy: 0.48260517868764136
Energy: 0.48054104831380007
Energy: 0.4882391707395301
Energy: 0.48823110888628235
Energy: 0.47725211809599904
Energy: 0.48803144415789534
Energy: 0.47817200486625844
Energy: 0.507521069485166
Energy: 0.4795933979158054
Energy: 0.47971021631159844
Energy: 0.507236659295356
Energy: 0.47875131790015735
Energy: 0.47922040765380863
Energy: 0.5073138039012882
Energy: 0.5035955074238586
Energy: 0.5072435023994566
Energy: 0.509093211483602
Energy: 0.4870330213998724
Energy: 0.5071652808794826
Energy: 0.6654237067086426
Energy: 0.5124913964808969
Energy: 0.48560873995288795
Energy: 0.5203867482829311
Energy: 0.48387832298794325
Energy: 0.5201280462011199
Energy: 0.6317288698611687
Energy: 0.5396980909805691
Energy: 0.5395896200147634
Energy: 0.48782982159211175
Energy: 0.5471541131769609
Energy: 0.4842081279600126
Energy: 0.4796267477216329
Energy: 0.5395659829222809
Energy: 0.531560337598399
Energy: 0.4891233969307583
Energy: 0.5395975488957341
Energy: 0.49405023355659733
Energy: 0.5370390601664421
Energy: 0.5108745346542463
Energy: 0.506164657626276
Energy: 0.5939316442065042
Energy: 0.5327934541860494
Energy: 0.5015510795709113
Energy: 0.5938685429786088
Energy: 0.5131032543615042
Energy: 0.5919570341632999
Energy: 0.5954454405133064
Energy: 0.5028717999192813
Energy: 0.592147163312131
Energy: 0.7160707768451541
Energy: 0.5017899065312266
Energy: 0.5099132027598465
Energy: 0.5939618734546608
Energy: 0.5015560192798488
Energy: 0.5097910014772518
Energy: 0.7115579615950937
Energy: 0.576335619717952
Energy: 0.5754063852858347
Energy: 0.5936653742184633
Energy: 0.5978958781581757
Energy: 0.5728057061206742
Energy: 0.5374518617645545
Energy: 0.6228712570396701
Energy: 0.5739883779695518
Energy: 0.5256707869933794
Energy: 0.6311657880986322
Energy: 0.5367248315892629
Energy: 0.6548176682739582
Energy: 0.5832406674439361
Energy: 0.575851451500204
Energy: 0.5915842741189441
Energy: 0.6325411370239096
Energy: 0.5761566192437564
Energy: 0.7104774682429431
Energy: 0.5409589852563484
Energy: 0.5647659523670364
Energy: 0.6179238694903527
Energy: 0.5928252143140232
Energy: 0.6238605929599772
Energy: 0.7569368096652725
Energy: 0.5356182190000964
Energy: 0.5820040845486314
Energy: 0.6339864443864612
Energy: 0.5366471262633532
Energy: 0.5820787588879244
Energy: 0.7320488832122946
Energy: 0.5829302401422718
Energy: 0.5761966500884494
Energy: 0.6310624336752785
Energy: 0.6319141823806521
Energy: 0.5282610505695907

minimum gb energy = 0.4734978427753287 eV
minimum distance =  2.59933628426878 Angstroms
sigma value = 81


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

Energy: 0.17328278053731713
Energy: 0.3310179439800465
Energy: 0.019820805178732945
Energy: 0.021337092563110883
Energy: 0.316936244413736
Energy: 0.1735472254560477
Energy: 0.3506024132141491
Energy: 0.3140220306198384
Energy: 0.31489388158775455
Energy: 0.3723049481876362
Energy: 0.31838984076411053
Energy: 0.31676784673430813
Energy: 0.34845322649115257
Energy: 0.019591240781925895
Energy: 0.019594990921610402
Energy: 0.36926468092201914
Energy: 0.019482750846205685
Energy: 0.05778601580061055
Energy: 0.33280600548043016
Energy: 0.019628925744688257
Energy: 0.019872578850858018
Energy: 0.3326889682689818
Energy: 0.019506738744229864
Energy: 0.056091335320580575
Energy: 0.0556057423345704
Energy: 0.36666159644805285
Energy: 0.3665613277480193
Energy: 0.05656121277413916
Energy: 0.36665304129672405
Energy: 0.36674485257198414
Energy: 0.020318085713948213
Energy: 0.3294429136880171
Energy: 0.01976158727535409
Energy: 0.022056753915706585
Energy: 0.32971090032807815
Energy: 0.01949143123469464
Energy: 0.3695989035620581
Energy: 0.3147048921242456
Energy: 0.3165067461245462
Energy: 0.3692227656952295
Energy: 0.31605901553740284
Energy: 0.32982602243677883
Energy: 0.36822613912593477
Energy: 0.0194492364052221
Energy: 0.01950495759924068
Energy: 0.3700392500736525
Energy: 0.019485853209014383
Energy: 0.01995220083441886
Energy: 0.312353534003221
Energy: 0.019758516102275296
Energy: 0.05814197090463444
Energy: 0.3360929734119972
Energy: 0.01952342510439916
Energy: 0.05741870076313119
Energy: 0.1742304065727789
Energy: 0.35244096728514246
Energy: 0.3525100135176295
Energy: 0.020365021780301373
Energy: 0.3521720474031882
Energy: 0.35143380827170695

minimum gb energy = 0.0194492364052221 eV
minimum distance =  2.69555449770884 Angstroms
sigma value = 3


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

Energy: 0.6222233874756276
Energy: 0.6072771308105108
Energy: 0.5986558082821203
Energy: 0.5329129913932296
Energy: 0.6082242858658933
Energy: 0.5378865085372535
Energy: 0.6444161168717434
Energy: 0.5825715136736482
Energy: 0.5775724789707554
Energy: 0.5984441654108182
Energy: 0.6168606978288363
Energy: 0.5789412186578646
Energy: 0.6336614399693458
Energy: 0.5767715341579974
Energy: 0.5167133994832601
Energy: 0.6199210660940492
Energy: 0.5175091614908325
Energy: 0.6211264162423141
Energy: 0.5815460424507334
Energy: 0.5168974300741183
Energy: 0.5182535123634425
Energy: 0.5800904624040208
Energy: 0.5142815505188235
Energy: 0.5659452560246003
Energy: 0.5274844861931729
Energy: 0.5811113210647372
Energy: 0.578459875146181
Energy: 0.5274017068356411
Energy: 0.6166990811493768
Energy: 0.577776230175545
Energy: 0.48319603314761067
Energy: 0.5568055609875456
Energy: 0.5651868198697704
Energy: 0.49448415647892224
Energy: 0.5513889586059212
Energy: 0.5155515897952117
Energy: 0.5957191014346523
Energy: 0.5382146002000201
Energy: 0.5340167782710047
Energy: 0.5936825076362833
Energy: 0.5381784866936402
Energy: 0.598562087263566
Energy: 0.5739356793802343
Energy: 0.4900463137308429
Energy: 0.5247408530343195
Energy: 0.574239131412136
Energy: 0.4609900492037078
Energy: 0.532458178600888
Energy: 0.49359597716137993
Energy: 0.5802213320093081
Energy: 0.6027702635160658
Energy: 0.5178077101526097
Energy: 0.488682798571411
Energy: 0.6031603362848182
Energy: 0.494222886128519
Energy: 0.536501864937748
Energy: 0.5360649991867632
Energy: 0.4944548144381225
Energy: 0.5372941613198509
Energy: 0.5344438836316622
Energy: 0.46617522178567766
Energy: 0.5378752230682976
Energy: 0.5371738669493964
Energy: 0.4703702512016037
Energy: 0.47189563655009914
Energy: 0.49258430576688356
Energy: 0.4985076740920874
Energy: 0.5922394635243128
Energy: 0.5925759603153701
Energy: 0.49902631869565767
Energy: 0.5270791005566542
Energy: 0.49415616092186243
Energy: 0.5101040441423527
Energy: 0.5054258985852588
Energy: 0.4965775102838074
Energy: 0.5111963406352477
Energy: 0.4565429222617814
Energy: 0.5044298175279381
Energy: 0.45574009720588404
Energy: 0.46819350269026894
Energy: 0.5678536786112595
Energy: 0.4984374471281648
Energy: 0.4667292882334253
Energy: 0.5682154207019365
Energy: 0.5016983616022964
Energy: 0.4687788946570691
Energy: 0.46859929637484166
Energy: 0.5019863955810531
Energy: 0.47488669639833875
Energy: 0.4683676443546589
Energy: 0.45383898556681646
Energy: 0.5185340427745868
Energy: 0.552168673566285
Energy: 0.45748942205631177
Energy: 0.5596078864418816
Energy: 0.5525837698144701
Energy: 0.4567158085890598
Energy: 0.557263345308242
Energy: 0.5574251721817985
Energy: 0.45610206362339056
Energy: 0.47099973662306677
Energy: 0.452948882323352
Energy: 0.4534290313793636
Energy: 0.5455382610539581
Energy: 0.559850300778276
Energy: 0.45354592353616513
Energy: 0.455530313820397
Energy: 0.45656391253977324
Energy: 0.5153619095129965
Energy: 0.4551576869308504
Energy: 0.541499918773922
Energy: 0.45706150247750227
Energy: 0.4546471029846994
Energy: 0.5554820711366892
Energy: 0.5588950239694391
Energy: 0.4540279058430406
Energy: 0.45300023389301114
Energy: 0.5593442230835463
Energy: 0.458473558412294
Energy: 0.45294455431606023
Energy: 0.5563071927888876
Energy: 0.5536317353302974
Energy: 0.553078482589912
Energy: 0.5537492196623246
Energy: 0.552848737397131
Energy: 0.5523048922421304
Energy: 0.4740006437317146
Energy: 0.5512724060167462
Energy: 0.4715009653041654
Energy: 0.47497888245484177
Energy: 0.5507103116102575
Energy: 0.4699181535802851
Energy: 0.46644970613457193
Energy: 0.568863145216182
Energy: 0.5696962698660339
Energy: 0.46640257677843705
Energy: 0.5701447955321179
Energy: 0.5706932693986905
Energy: 0.4589059903927883
Energy: 0.503374211670085
Energy: 0.505794526317848
Energy: 0.4589055661679023
Energy: 0.5028781313651438
Energy: 0.47867080851709104
Energy: 0.46931323119015206
Energy: 0.4976447935780054
Energy: 0.4945566321076172
Energy: 0.46801354438014414
Energy: 0.49769526011611653
Energy: 0.49413339884076724
Energy: 0.4675166353500452
Energy: 0.47707327626812335
Energy: 0.5113776938274053
Energy: 0.46822439822465045
Energy: 0.5094411044045141
Energy: 0.5370189771701674
Energy: 0.5368269376581823
Energy: 0.5716480148070572
Energy: 0.542905409141065
Energy: 0.5566561538104168
Energy: 0.4759739019701497
Energy: 0.5350800745064537
Energy: 0.5086094083278977
Energy: 0.5588306697290917
Energy: 0.5527805230107139
Energy: 0.508599255120025
Energy: 0.5587242283837757
Energy: 0.551734254933579
Energy: 0.47095345030991265
Energy: 0.5782252870436678
Energy: 0.5537608750195615
Energy: 0.481007899568994
Energy: 0.5779623357163856
Energy: 0.5090422922705203
Energy: 0.5393773560524815
Energy: 0.5538860309362847
Energy: 0.5777767459499126
Energy: 0.539756603400981
Energy: 0.5961611906222088
Energy: 0.578576441452811
Energy: 0.5303593667277633
Energy: 0.5034151238460554
Energy: 0.5414026356587162
Energy: 0.5284926854241175
Energy: 0.46744418364436674
Energy: 0.5417767569297948
Energy: 0.633064819209547
Energy: 0.5913449760815848
Energy: 0.5140510357421529
Energy: 0.5805742503010421
Energy: 0.5016437787440332
Energy: 0.5792713187665599
Energy: 0.5392064042619793
Energy: 0.5806685395019107
Energy: 0.5770436032566133
Energy: 0.5389703159029942
Energy: 0.5812671538336018
Energy: 0.5518339654633201

minimum gb energy = 0.45294455431606023 eV
minimum distance =  2.59289131980375 Angstroms
sigma value = 67


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

Energy: 0.6595009022001687
Energy: 0.7664758913939314
Energy: 0.7176712027168937
Energy: 0.5839577774439279
Energy: 0.7670092470819602
Energy: 0.7647636535254809
Energy: 0.7546091449606704
Energy: 0.6851703926700021
Energy: 0.6868110213499756
Energy: 0.6734652059572057
Energy: 0.7018024516974283
Energy: 0.6235389346558323
Energy: 0.7450859436894286
Energy: 0.6148355431823678
Energy: 0.6472702985804187
Energy: 0.7450184076050723
Energy: 0.6088135478458438
Energy: 0.7002221462761656
Energy: 0.6814638878327652
Energy: 0.6838756576287058
Energy: 0.6444736455211548
Energy: 0.6814068267401704
Energy: 0.6453403290483714
Energy: 0.6162413662821473
Energy: 0.6732098757729525
Energy: 0.6826655380286848
Energy: 0.6576535300953699
Energy: 0.6736074116843561
Energy: 0.7215655321685422
Energy: 0.6220870223993396
Energy: 0.570428166631875
Energy: 0.6634958858353286
Energy: 0.6751212494033894
Energy: 0.6119632325848721
Energy: 0.6634206461345357
Energy: 0.6754870018287575
Energy: 0.71255956920621
Energy: 0.6188016385856439
Energy: 0.6182218696256198
Energy: 0.7137839256873113
Energy: 0.6172107612944105
Energy: 0.6154734411749537
Energy: 0.6952284133784504
Energy: 0.5756427878283339
Energy: 0.6105176565967607
Energy: 0.6963963329314972
Energy: 0.5713025520398918
Energy: 0.6766595771272593
Energy: 0.5766239784948465
Energy: 0.6499935662707763
Energy: 0.646861564493909
Energy: 0.7242845140386623
Energy: 0.6090519768235036
Energy: 0.6446468483514005
Energy: 0.5699999499038684
Energy: 0.6174584219125631
Energy: 0.621678619497306
Energy: 0.5696557381113319
Energy: 0.61268148067931
Energy: 0.6101677728888295
Energy: 0.571475365236938
Energy: 0.6184259473593848
Energy: 0.6143762019769677
Energy: 0.5713028170781087
Energy: 0.5994432668164279
Energy: 0.6146709732179542
Energy: 0.5756073787442373
Energy: 0.6920889071395546
Energy: 0.6937147859328382
Energy: 0.5769363175346676
Energy: 0.642129811731399
Energy: 0.5689945787115092
Energy: 0.5759541636802025
Energy: 0.5780356491437728
Energy: 0.5715913270410459
Energy: 0.577229557563417
Energy: 0.5723292520241897
Energy: 0.5687216161941246
Energy: 0.5992296752431573
Energy: 0.5884810733168694
Energy: 0.639641490899868
Energy: 0.5711900388998526
Energy: 0.5719129407786852
Energy: 0.6860061206749393
Energy: 0.6362110295775965
Energy: 0.5753941533559302
Energy: 0.579948005576324
Energy: 0.6369745681357676
Energy: 0.5703314040339179
Energy: 0.5681725565162273
Energy: 0.5727128678187334
Energy: 0.6415825526045628
Energy: 0.6964452072070522
Energy: 0.6425264456099443
Energy: 0.5698943514978947
Energy: 0.6938181830817779
Energy: 0.6132736194509055
Energy: 0.5659347683625849
Energy: 0.580642666073071
Energy: 0.6146194455918749
Energy: 0.5608086162724523
Energy: 0.6106871591527842
Energy: 0.6199896170793874
Energy: 0.6450422602649776
Energy: 0.6466260926553533
Energy: 0.621172289314475
Energy: 0.6441047797703281
Energy: 0.6104588966330902
Energy: 0.5643892431479074
Energy: 0.5773478037999513
Energy: 0.6453735103983179
Energy: 0.5810773824352126
Energy: 0.6398537591890615
Energy: 0.6437510335521652
Energy: 0.6099215040081399
Energy: 0.6862164222018795
Energy: 0.6185453309711432
Energy: 0.610281805620691
Energy: 0.6816478062735523
Energy: 0.6211895013612909
Energy: 0.6206300381852681
Energy: 0.6478470139866306
Energy: 0.5785764421124049
Energy: 0.6208405772542365
Energy: 0.5846339047208726
Energy: 0.5785990871022585
Energy: 0.7438042461149826
Energy: 0.5864561334087834
Energy: 0.5795321677485692
Energy: 0.7418517743161541
Energy: 0.5821511084295682
Energy: 0.6547854893724248
Energy: 0.7324246785210017
Energy: 0.6867032144782397
Energy: 0.6741212167338897
Energy: 0.7340369784729787
Energy: 0.6827387622403048
Energy: 0.6180558340067119

minimum gb energy = 0.5608086162724523 eV
minimum distance =  2.58249095024127 Angstroms
sigma value = 33


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

Energy: 1.108885289011371
Energy: 0.7767535595978955
Energy: 0.9009040729894887
Energy: 0.7876247010527747
Energy: 0.7116850710789556
Energy: 0.7890058733390836
Energy: 0.8420541339021081
Energy: 0.7222933658659043
Energy: 0.7243077257219396
Energy: 0.7231222515540899
Energy: 0.7227015612712165
Energy: 0.7185633115097929
Energy: 0.8260029076989952
Energy: 0.715570951974976
Energy: 0.6751492196448721
Energy: 0.8259824145123899
Energy: 0.7192150259072174
Energy: 0.7212556647277882
Energy: 0.7201300479114449
Energy: 0.7152691790676982
Energy: 0.6763058073323491
Energy: 0.7212721093682769
Energy: 0.6760353932542794
Energy: 0.6454932391165378
Energy: 0.719104796797178
Energy: 0.7221355906741427
Energy: 0.7202513357924386
Energy: 0.7189380333192589
Energy: 0.7223170286873828
Energy: 0.6466429227084638
Energy: 0.6350512158766473
Energy: 0.6367080150669653
Energy: 0.6367829524883828
Energy: 0.6388546121332511
Energy: 0.6380181869644099
Energy: 0.7191465051457043
Energy: 0.7192497394479627
Energy: 0.63912368291585
Energy: 0.6381694541375202
Energy: 0.7193520320049627
Energy: 0.6368412939311688
Energy: 0.6493882436119027
Energy: 0.7230002883218878
Energy: 0.6357793783411493
Energy: 0.6766918991141824
Energy: 0.7237568559504279
Energy: 0.6395203795506798
Energy: 0.719485028489888
Energy: 0.6375408245874047
Energy: 0.7213149466908605
Energy: 0.6487490961824804
Energy: 0.6471203945693728
Energy: 0.6359124300833575
Energy: 0.647276990364691
Energy: 0.6359852160761578
Energy: 0.644044762142822
Energy: 0.6357277841948503
Energy: 0.6384281647260541
Energy: 0.6383683452597605
Energy: 0.6361348285511937
Energy: 0.681345085133225
Energy: 0.6598025985162095
Energy: 0.6365541975988595
Energy: 0.6397241724143359
Energy: 0.6366678698752931
Energy: 0.6373376333260544
Energy: 0.635604974581673
Energy: 0.6391487355179335
Energy: 0.6359120977564272
Energy: 0.635530429989403
Energy: 0.761736932879949
Energy: 0.6360267864060604
Energy: 0.6355137919119523
Energy: 0.6484975170663935
Energy: 0.6363853785879724
Energy: 0.6356186680972769
Energy: 0.6480632309416542
Energy: 0.6359766688947625
Energy: 0.614149183763619
Energy: 0.6817442131759059
Energy: 0.648279330238052
Energy: 0.6173850220983589
Energy: 0.6846615583767667
Energy: 0.6568099288674216
Energy: 0.6141027891532951
Energy: 0.7263151232099101
Energy: 0.72040478343791
Energy: 0.6139554213803915
Energy: 0.7225531563355423
Energy: 0.6473596803167823
Energy: 0.6488481711994879
Energy: 0.6580217220029014
Energy: 0.667652602225077
Energy: 0.6494292525747826
Energy: 0.6555020431653966
Energy: 0.6475762524419693
Energy: 0.8266816890511959
Energy: 0.6550489453696066
Energy: 0.6572657858318682
Energy: 0.827703721518793
Energy: 0.6589417505013098
Energy: 0.7073209406782063
Energy: 0.8423913958167734
Energy: 0.718740521520602
Energy: 0.7186101248914792
Energy: 0.723665874302687
Energy: 0.7187801656051449
Energy: 0.640786035001116
Energy: 0.653821721476537
Energy: 0.7318482977279361
Energy: 0.7912325573745316
Energy: 0.6585277577045423
Energy: 0.7316208661039462
Energy: 0.7021795484058199
Energy: 0.7775822340283558
Energy: 0.7211854829758109
Energy: 0.7237757553597219
Energy: 0.7772398796010583
Energy: 0.7225162249355573
Energy: 0.7188866656845037
Energy: 0.8499526644452708
Energy: 0.7152480118317964
Energy: 0.6763770816302951
Energy: 0.7321597370984202
Energy: 0.7333488569784982
Energy: 0.7206829694128732
Energy: 0.7194649720830602
Energy: 0.7158344118587001
Energy: 0.6748603343511984
Energy: 0.7201508066634055
Energy: 0.7205730907066856
Energy: 0.6456409388637427
Energy: 0.7192516533979915
Energy: 0.723129360256281
Energy: 0.6483766245788289
Energy: 0.7187957657486875
Energy: 0.7236935740605308
Energy: 0.6473868760594269
Energy: 0.6344142334974616
Energy: 0.7118668198120685
Energy: 0.6372528017744196
Energy: 0.6362872629272512
Energy: 0.7112530540453389
Energy: 0.7306899436147947
Energy: 0.7183192930428246
Energy: 0.6397498951905707
Energy: 0.6387392285230152
Energy: 0.7180437925243465
Energy: 0.6394027643846792
Energy: 0.6905905835895353
Energy: 0.7206658358468304
Energy: 0.6358746810440041
Energy: 0.6765254410822749
Energy: 0.7222895195153229
Energy: 0.6392960038600577
Energy: 0.719792432609028
Energy: 0.6372189323682259
Energy: 0.6360299497523165
Energy: 0.6383300680139314
Energy: 0.6898414296500367
Energy: 0.6573528683692956
Energy: 0.6478089169897868
Energy: 0.6367872402878106
Energy: 0.6453894362176792
Energy: 0.6356678991464556
Energy: 0.636660497599381
Energy: 0.6398751225183661
Energy: 0.6362287570180429
Energy: 0.6831009108743247
Energy: 0.6361065685989581
Energy: 0.6382800526193556
Energy: 0.6416950803676791
Energy: 0.6358055047537041
Energy: 0.6372751682535631
Energy: 0.6357816636247201
Energy: 0.6698089882148698
Energy: 0.6365732394801924
Energy: 0.6357934248621726
Energy: 0.7602457781922781
Energy: 0.635989534307503
Energy: 0.6441364353167233
Energy: 0.6481425228593787
Energy: 0.6358082690094573
Energy: 0.6452436677074216
Energy: 0.6484235484250327
Energy: 0.6361582595840493
Energy: 0.6146014074044205
Energy: 0.6458029977107934
Energy: 0.6464827687122989
Energy: 0.6161244675498533
Energy: 0.6818990337404898
Energy: 0.657737806873603
Energy: 0.6140782027273989
Energy: 0.7263154081543575
Energy: 0.7196644575965608
Energy: 0.6143608432499245
Energy: 0.7219814782019919
Energy: 0.6807639090893616
Energy: 0.647665170725073
Energy: 0.6700009515417726
Energy: 0.6391956693167958
Energy: 0.6489195167816333
Energy: 0.6553368557780416
Energy: 0.6475030419045019
Energy: 0.8239058856372504
Energy: 0.6551296761191642
Energy: 0.7365279905290393
Energy: 0.8240891189781518
Energy: 0.6200801325933245
Energy: 0.7064890972580213
Energy: 0.8395377024492177
Energy: 0.7186687887642446
Energy: 0.7190471013823576
Energy: 0.7236645932238989
Energy: 0.7186080867247743
Energy: 0.6467843108659804
Energy: 0.6553810697433334
Energy: 0.7331001599635498
Energy: 0.6562485374476202
Energy: 0.6579147513310046
Energy: 0.733050278844878
Energy: 0.7064131162426186

minimum gb energy = 0.6139554213803915 eV
minimum distance =  2.59708967407509 Angstroms
sigma value = 41


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

Energy: 0.9543591163914251
Energy: 1.1539728934667173
Energy: 0.9722977245264223
Energy: 0.7926167173836638
Energy: 1.149534163908839
Energy: 0.9728219346925873
Energy: 0.8481883648796074
Energy: 0.7379346908806411
Energy: 0.7365076330142402
Energy: 0.7552650140423033
Energy: 0.7388664348118235
Energy: 0.7362415475826425
Energy: 0.8422839937030322
Energy: 0.740392772313556
Energy: 0.7372272543070475
Energy: 0.8432795778476072
Energy: 0.7355296880658785
Energy: 0.7352421124009217
Energy: 0.7605690382682353
Energy: 0.7352484420744546
Energy: 0.6981510284966642
Energy: 0.7615034186927179
Energy: 0.7368963345954239
Energy: 0.7384691339309846
Energy: 0.7345203727316751
Energy: 0.7387751588059494
Energy: 0.7394820060231851
Energy: 0.7342985850827785
Energy: 0.7383101907555656
Energy: 0.7172516184670347
Energy: 0.7921561739897767
Energy: 0.8791326549109668
Energy: 0.7888057355060977
Energy: 0.7004889645165179
Energy: 0.8836182250007331
Energy: 0.7402984316193348
Energy: 0.734424736237702
Energy: 0.7172715491497409
Energy: 0.7006911210218163
Energy: 0.7346255341528234
Energy: 0.7206604082860123
Energy: 0.7355471247157958
Energy: 0.7374034969884904
Energy: 0.7357254069797717
Energy: 0.7346536780065855
Energy: 0.7390575290429463
Energy: 0.7025935436806005
Energy: 0.7350714518669602
Energy: 0.865941558017044
Energy: 0.8629684101045861
Energy: 0.6998780358594077
Energy: 0.6818367772702499
Energy: 0.7340915828194567
Energy: 0.6992082466081883
Energy: 0.798439297338488
Energy: 0.741388089048442
Energy: 0.735707429889511
Energy: 0.7046174826863056
Energy: 0.7357245795739684
Energy: 0.7353118772890799
Energy: 0.7524401271334307
Energy: 0.7359941946832775
Energy: 0.7161306371825528
Energy: 0.7015370699296989
Energy: 0.6810707357608875
Energy: 0.701562119071032
Energy: 0.8388202182449275
Energy: 0.7498315610559034
Energy: 0.7848303488016458
Energy: 0.8386952815373996
Energy: 0.6813424021188891
Energy: 0.7966142161508356
Energy: 0.8463190596684695
Energy: 0.7357952992799157
Energy: 0.7581160106405223
Energy: 0.7550711915403374
Energy: 0.7349980329839385
Energy: 0.7364776021994404
Energy: 0.6862644037837734
Energy: 0.7541558853068165
Energy: 0.8680706671709576
Energy: 0.6870355780188411
Energy: 0.8936060511263131
Energy: 0.7497162295732186

minimum gb energy = 0.6810707357608875 eV
minimum distance =  2.59633023324383 Angstroms
sigma value = 11


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

Energy: 0.7631397181313173
Energy: 0.9625798540887907
Energy: 0.8375716749977888
Energy: 0.9860808577401742
Energy: 0.8935426908766987
Energy: 0.9471298421681953
Energy: 0.9693683207205096
Energy: 0.7803782425085974
Energy: 0.7806873549263599
Energy: 0.8832176863667606
Energy: 0.78029483285146
Energy: 0.7816924921824675
Energy: 0.9014148603300871
Energy: 0.8102871939316172
Energy: 0.8123975171355309
Energy: 0.9014260401933315
Energy: 0.8038159240967426
Energy: 0.8482638229460541
Energy: 0.867506627165263
Energy: 0.7578369978967675
Energy: 0.8042348349753164
Energy: 0.845345781065226
Energy: 0.8839848564376033
Energy: 0.812541234702074
Energy: 0.8781550105703434
Energy: 0.7803214526745207
Energy: 0.7798843255266696
Energy: 0.8587823243373052
Energy: 0.781394390107344
Energy: 0.7808755094336622
Energy: 0.8776467217925675
Energy: 0.8050458488558202
Energy: 0.8052337883617826
Energy: 0.781005351633237
Energy: 0.8050017991659181
Energy: 0.8152208295052745
Energy: 0.8044868357821447
Energy: 0.8170877435680688
Energy: 0.805560189403565
Energy: 0.8047561870790422
Energy: 0.7872634849442913
Energy: 0.8049899717030197
Energy: 0.7893356568553969
Energy: 0.7813818112611035
Energy: 0.7813788449666852
Energy: 0.781664705779597
Energy: 0.8583941693110742
Energy: 0.7805770146910753
Energy: 0.78068284814192
Energy: 0.8148367000488578
Energy: 0.814588153116197
Energy: 0.7772565287802504
Energy: 0.842427406162427
Energy: 0.7639243241718289
Energy: 0.7712885686435377
Energy: 0.8501206731684101
Energy: 0.8142603102409683
Energy: 0.8094726308500528
Energy: 0.877313497234944
Energy: 0.7639773462185366
Energy: 0.7893234953245807
Energy: 0.8450134261244474
Energy: 0.7812166814862713
Energy: 0.7821246991347303
Energy: 0.8110477529180136
Energy: 0.780941611086752
Energy: 0.7934832387685599
Energy: 0.821139648533627
Energy: 0.8659596721435747
Energy: 0.79400256432922
Energy: 0.901668768184421
Energy: 0.90124601162156
Energy: 0.7801321388057053
Energy: 0.8653662690587828
Energy: 0.8346715720669288
Energy: 0.7801322795743346
Energy: 0.8822782140800031
Energy: 0.7816204633665533
Energy: 0.8345974356430211
Energy: 0.867439542033816
Energy: 0.8780403726067227
Energy: 0.8340472883486869
Energy: 0.8681297958364567
Energy: 0.8487498169180425
Energy: 0.7599331529500981
Energy: 0.761580310749777
Energy: 0.7603746223278893
Energy: 0.7600568299152298
Energy: 0.8441229933346038
Energy: 0.7600928111034988
Energy: 0.7602343419745036
Energy: 0.7603895694346106
Energy: 0.7598400963177128
Energy: 0.7620198435634692
Energy: 0.8419657458196148
Energy: 0.7603247731274211
Energy: 0.7600166537750545
Energy: 0.762060946638501
Energy: 0.760787890940172
Energy: 0.7599723910073335
Energy: 0.7616662618573548
Energy: 0.8021385447006673
Energy: 0.8763513687957929
Energy: 0.8681570541745421
Energy: 0.8079510372147812
Energy: 0.8384993168059053
Energy: 0.9058635424511869
Energy: 0.8371471975555947
Energy: 0.8133082229406646
Energy: 0.8207858049657644
Energy: 0.8233671708201905
Energy: 0.8134561978091166
Energy: 0.8176062847327804
Energy: 0.8252644040243027
Energy: 0.8690396229622555
Energy: 0.761393901726511
Energy: 0.7616220324779381
Energy: 0.8701137978352361
Energy: 0.7610047662976496
Energy: 0.837960813664715
Energy: 0.8590059200234025
Energy: 0.7604960602161178
Energy: 0.8384755194397392
Energy: 0.8290318587830191
Energy: 0.8896033212938337
Energy: 0.822425204383741
Energy: 0.7862049799484431
Energy: 0.8217528249656112
Energy: 0.8230595443526413
Energy: 0.7785510245460078
Energy: 0.8235086825101967
Energy: 0.8245723740106177
Energy: 0.7846329374003707
Energy: 0.8288627102926843
Energy: 0.7992797713052736
Energy: 0.808954315514348
Energy: 0.8281138165078279
Energy: 0.838406727553299
Energy: 0.8571493169476223
Energy: 0.8134265988781586
Energy: 0.820820364729968
Energy: 0.8155598814523024
Energy: 0.8129422468234273
Energy: 0.8229872028630888
Energy: 0.9022855702735731
Energy: 0.8206247488620486
Energy: 0.83121032270246
Energy: 0.9039480251414446
Energy: 0.8100046668043039
Energy: 0.792553776856951
Energy: 0.8946281861313246
Energy: 0.7613672606778977
Energy: 0.8057240112709814
Energy: 0.8482413652934887
Energy: 0.759918906184432
Energy: 0.7843245945233631
Energy: 0.8922789043152598
Energy: 0.7598753875633002
Energy: 0.7599340233225091
Energy: 0.8382120779753387
Energy: 0.7627849340609285
Energy: 0.7598842657351688
Energy: 0.8929082763663393
Energy: 0.7598337363278196
Energy: 0.7850650429688326
Energy: 0.8427709826193522
Energy: 0.7600228882177154
Energy: 0.7604352571772912
Energy: 0.9012233019250813
Energy: 0.8376984413927048
Energy: 0.8401960941058229
Energy: 0.8683642154519827
Energy: 0.825644955136057
Energy: 0.8649406972735175
Energy: 0.9589599435344262
Energy: 0.7806985577673338
Energy: 0.7812602351166472
Energy: 0.8460638009813678
Energy: 0.780081517357887
Energy: 0.8687981117871625
Energy: 0.7620102895635427
Energy: 0.7895094943097266
Energy: 0.7990621922931196
Energy: 0.7607500349749694
Energy: 0.794155994517198
Energy: 0.8277511103726897

minimum gb energy = 0.7578369978967675 eV
minimum distance =  2.59816825742435 Angstroms
sigma value = 57


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

Energy: 1.1961881348007992
Energy: 0.9665718464449404
Energy: 0.9727321164331948
Energy: 0.9633882144468708
Energy: 1.2554401890959475
Energy: 0.9631734869339375
Energy: 0.8457173153990014
Energy: 0.7192306876695285
Energy: 0.7170271774347907
Energy: 0.7155775096302223
Energy: 0.7157224707462032
Energy: 0.7150258244580017
Energy: 0.8409065372926933
Energy: 0.8209083910281201
Energy: 0.8215690548804112
Energy: 0.8425085476992119
Energy: 0.739295636090228
Energy: 0.719782768147155
Energy: 0.7429796315936387
Energy: 0.7170577559866828
Energy: 0.7151048583319071
Energy: 0.7443965668430687
Energy: 0.9763968037633094
Energy: 0.7148197167706101
Energy: 0.767605030842087
Energy: 0.7193631121217163
Energy: 0.717393583585237
Energy: 0.7709878308093623
Energy: 0.7193153550974736
Energy: 0.7153661893953955
Energy: 0.7436562223378723
Energy: 0.8393999730206354
Energy: 0.838293714137381
Energy: 0.746744790043212
Energy: 0.8405191312985126
Energy: 0.830502177036081
Energy: 0.8402783170157991
Energy: 0.7041289505439772
Energy: 0.7046017713996594
Energy: 0.8417454544296449
Energy: 0.7922934127551461
Energy: 0.8384329124476746
Energy: 0.8556040846461155
Energy: 0.719257265392222
Energy: 0.71581887436825
Energy: 0.7477209556870053
Energy: 0.7726094247187997
Energy: 0.7152041191916746
Energy: 0.6911197939342516
Energy: 0.8352685284844693
Energy: 0.7491819961372658
Energy: 0.691007828140664
Energy: 0.8295688440945359
Energy: 0.6918524049573349
Energy: 0.6915558314060453
Energy: 0.8378545197038859
Energy: 0.6943988472320336
Energy: 0.6941578730935621
Energy: 0.839322046512452
Energy: 0.6929510371338867
Energy: 0.854979648709231
Energy: 0.718761670050167
Energy: 0.715741544284471
Energy: 0.7475891947069936
Energy: 0.7432601963905645
Energy: 0.7150062030903385
Energy: 1.1156525782806295
Energy: 0.7374184575987521
Energy: 0.8225132902729531
Energy: 1.1189282300964323
Energy: 0.8796823613833756
Energy: 0.8293818193770865
Energy: 0.7446945322327319
Energy: 0.7194454043036898
Energy: 0.7170140514613645
Energy: 0.7447448977521041
Energy: 0.7158918832534132
Energy: 0.7413168873365775
Energy: 0.7433692077043059
Energy: 0.8423601363152597
Energy: 0.8382026828568272
Energy: 0.720502455691694
Energy: 0.8417463014578371
Energy: 0.8299847937976186
Energy: 0.7718893617443588
Energy: 0.7815286036379464
Energy: 0.7153998147689524
Energy: 0.7708156045482154
Energy: 0.7791655817089613
Energy: 0.7146838993688233
Energy: 0.8385001191519508
Energy: 0.690615860456314
Energy: 0.6918583390626459
Energy: 0.840041251244899
Energy: 0.7793315151922594
Energy: 0.7178787584376082
Energy: 0.6908556281909153
Energy: 0.7210403231623301
Energy: 0.7168931527472677
Energy: 0.6904385116622253
Energy: 0.7486338132976168
Energy: 0.7163618143817898

minimum gb energy = 0.6904385116622253 eV
minimum distance =  2.60166494218288 Angstroms
sigma value = 9


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

Energy: 1.2990659758942777
Energy: 0.865439473081216
Energy: 0.9474303168749526
Energy: 0.9765275100020883
Energy: 1.0954798801265813
Energy: 0.9486154920065104
Energy: 0.8971049097111854
Energy: 0.8393701395790503
Energy: 0.8237624112296514
Energy: 0.823003720994569
Energy: 0.8149282151223181
Energy: 0.828961535142551
Energy: 0.8527837232120659
Energy: 0.8217336522080843
Energy: 0.8649959543828686
Energy: 0.8536134236587778
Energy: 0.8200877950427223
Energy: 0.8422281282214757
Energy: 0.8156406959209036
Energy: 0.8222206343187609
Energy: 0.8522484590496031
Energy: 0.8048748767539275
Energy: 0.821386909042779
Energy: 0.8254032378865104
Energy: 0.8953752672804174
Energy: 0.8114772859470022
Energy: 0.7939156308892547
Energy: 0.7911505921527775
Energy: 0.8298186502670298
Energy: 0.7905843993017262
Energy: 0.8479150242510587
Energy: 0.841062365401965
Energy: 0.8386438879810759
Energy: 0.8494585204629271
Energy: 0.8319319189067809
Energy: 0.8380701709808903
Energy: 0.8853289780093431
Energy: 0.8385300040836356
Energy: 0.8824774800703579
Energy: 0.8884104852851028
Energy: 0.8483193674984509
Energy: 0.851466786747999
Energy: 0.8776732932135929
Energy: 0.832675911377212
Energy: 0.8414902894551576
Energy: 0.8069065530196182
Energy: 0.8343265310518554
Energy: 0.840175969552326
Energy: 0.8245627279730051
Energy: 0.8459590283268997
Energy: 0.809722362688211
Energy: 0.8281568613134325
Energy: 0.8434858075102655
Energy: 0.8303921535296971
Energy: 0.8244937100366692
Energy: 0.8068467465532166
Energy: 0.8123806669894793
Energy: 0.8200891842195908
Energy: 0.804468854953599
Energy: 0.8019147300109416
Energy: 0.8270859016599754
Energy: 0.8297451506398312
Energy: 0.7912212209109069
Energy: 0.820510033913475
Energy: 0.843098597775099
Energy: 0.7916938333567607
Energy: 0.827530537320706
Energy: 0.8279959741380435
Energy: 0.8335024547432964
Energy: 0.8158601819794296
Energy: 0.8242587481787301
Energy: 0.8429374279663233
Energy: 1.0972297185111868
Energy: 0.8106569907655953
Energy: 0.8056994255674834
Energy: 0.8337442150133684
Energy: 0.81004096461858
Energy: 0.855790350944768
Energy: 0.828159493558555
Energy: 0.7927453825705755
Energy: 0.8253407281739361
Energy: 0.8044180886605939
Energy: 0.8081050971295225
Energy: 0.8250898631909092
Energy: 0.8697218082878867
Energy: 0.8233527607673949
Energy: 0.8831396609402138
Energy: 0.871522738014014
Energy: 0.8390141635538138
Energy: 0.8571342147139531
Energy: 0.8584307970806974
Energy: 0.8983905935759907
Energy: 0.9070301429803251
Energy: 0.8598366220802197
Energy: 0.8838591234338006
Energy: 0.9067559297933355
Energy: 0.8205084783271694
Energy: 0.8230178042190529
Energy: 0.8519199919232973
Energy: 0.8155032763902164
Energy: 0.792398704377443
Energy: 0.8266873270272008
Energy: 0.9985963078589644
Energy: 0.8193343904600676
Energy: 0.805569226209541
Energy: 0.7913607777076416
Energy: 0.8183015701980731
Energy: 0.8333142482584953
Energy: 0.8144635230004826
Energy: 0.8238305518969349
Energy: 0.8250047470198986
Energy: 0.8147795190544939
Energy: 0.8039455940442158
Energy: 0.8287974573075352
Energy: 0.8149190729628804
Energy: 0.8232757774303443
Energy: 0.8254859274827056
Energy: 0.8156373249466918
Energy: 0.8237471624372311
Energy: 0.8278295436265068
Energy: 0.8193224729005429
Energy: 0.8157585377089198
Energy: 0.8412209292188
Energy: 0.8330862828689635
Energy: 0.8210316828090072
Energy: 0.8476869751306901

minimum gb energy = 0.7905843993017262 eV
minimum distance =  2.58343088247449 Angstroms
sigma value = 27


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

Energy: 0.9946955926937826
Energy: 1.205897879552718
Energy: 0.8660431084020513
Energy: 0.8672975738963944
Energy: 1.197108411168967
Energy: 0.8664975325860866
Energy: 0.8059929454500587
Energy: 0.8863723641912606
Energy: 0.891710388723627
Energy: 0.8148894984907371
Energy: 0.9091705412215544
Energy: 0.9509418230665018
Energy: 0.8580281893500878
Energy: 0.8866509899931134
Energy: 0.8362718072108422
Energy: 0.7466069820564083
Energy: 0.87351892506191
Energy: 0.8371175395780845
Energy: 0.8786979642838341
Energy: 0.8775912205955866
Energy: 0.875199518177276
Energy: 0.8593869906007966
Energy: 0.8761103974037577
Energy: 0.8772621120574868
Energy: 0.8966704673644286
Energy: 0.9128506094784298
Energy: 0.9127906074950364
Energy: 0.8273107120463816
Energy: 0.9121500642966368
Energy: 0.8678503365642354
Energy: 0.9349825254488824
Energy: 0.8615534409335859
Energy: 0.811859175794826
Energy: 0.9013429575899168
Energy: 0.8642356514954536
Energy: 0.8130959593792374
Energy: 0.8661443305232503
Energy: 0.797287947399388
Energy: 0.7977525639963423
Energy: 0.8685187077626304
Energy: 0.7985650148008611
Energy: 0.797070388154462
Energy: 0.8671247476898523
Energy: 0.8328229607581283
Energy: 0.8878547439801695
Energy: 0.8674375021929652
Energy: 0.8367807753657518
Energy: 0.8872772660523355
Energy: 0.9149686399382895
Energy: 0.7449496161403386
Energy: 0.7448665994311525
Energy: 0.8410165391131866
Energy: 0.7439039528023875
Energy: 0.8004096956301578
Energy: 0.8502956543295185
Energy: 0.730618762349903
Energy: 0.7313233490431585
Energy: 0.8350314275132696
Energy: 0.7304577077244867
Energy: 0.731174779985612
Energy: 0.8793268585103003
Energy: 0.7934903542559479
Energy: 0.7926157635903783
Energy: 0.8800808925870615
Energy: 0.7892359880857338
Energy: 0.7945790836080969
Energy: 0.7319499348240754
Energy: 0.7312569633628353
Energy: 0.7302137233622743
Energy: 0.7330171473878709
Energy: 0.7311218367707709
Energy: 0.7302157221398691
Energy: 0.8344635653534589
Energy: 0.7347053659682167
Energy: 0.7314109826827839
Energy: 0.7320081714533856
Energy: 0.7313858543903086
Energy: 0.7306853573070269
Energy: 0.8287426621868133
Energy: 0.7344594837691918
Energy: 0.7324213495976248
Energy: 0.7302181841993177
Energy: 0.7305109658983342
Energy: 0.7338806066371664
Energy: 0.7824566971338967
Energy: 0.7450899377093863
Energy: 0.7441221222201004
Energy: 0.7456354427007015
Energy: 0.7453341428380017
Energy: 0.7436288953338934
Energy: 0.8918169248822423
Energy: 0.85002578208521
Energy: 0.8124649504903632
Energy: 0.8319111884035643
Energy: 0.8506042222566982
Energy: 0.8163200553901901
Energy: 0.8106536067260138
Energy: 0.77834102710845
Energy: 0.7791336786639947
Energy: 0.8057349591692441
Energy: 0.7903330330215409
Energy: 0.7779013868688434
Energy: 0.9374520262730801
Energy: 0.8691061202244129
Energy: 0.869708158767549
Energy: 0.830482819221812
Energy: 0.8647181063192271
Energy: 0.8143218420516867
Energy: 0.8717470101515253
Energy: 0.8000195225378121
Energy: 0.7995289801318854
Energy: 0.8714673659012045
Energy: 0.8001069254670211
Energy: 0.7990621402401455
Energy: 0.8802113645793179
Energy: 0.800506132798923
Energy: 0.7995320886169529
Energy: 0.8697056225236102
Energy: 0.7986870141397734
Energy: 0.7985443119654826
Energy: 1.0005774053764365
Energy: 0.8716074968721859
Energy: 0.8676582798601543
Energy: 0.8568731656363918
Energy: 0.8693135500177812
Energy: 0.8130234681985231
Energy: 0.8794271819003019
Energy: 0.9496874885151669
Energy: 0.8943756612318395
Energy: 0.7983746648278465
Energy: 0.9531457181764208
Energy: 0.8768574574241682
Energy: 0.8789406798101305
Energy: 0.872602980399588
Energy: 0.8739211844461718
Energy: 0.8791433738147093
Energy: 0.8597668465657059
Energy: 0.8819554068729015
Energy: 0.8020342408331355
Energy: 0.8259245266978911
Energy: 0.8736169539403044
Energy: 0.8089709952093812
Energy: 0.8274609663814371
Energy: 0.8392022189861292
Energy: 0.8100416670196208
Energy: 0.9465054249783854
Energy: 0.9397728605910334
Energy: 0.825110272123751
Energy: 0.9450862913967071
Energy: 0.8898212927035591

minimum gb energy = 0.7302137233622743 eV
minimum distance =  2.56432806653758 Angstroms
sigma value = 19


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

Energy: 1.220187226305332
Energy: 0.7926942035773407
Energy: 0.9498311272402816
Energy: 1.0311530554342578
Energy: 0.7952805009848379
Energy: 0.9529453664573735
Energy: 0.8296312562173659
Energy: 0.8159521729746911
Energy: 0.8181825431885246
Energy: 0.8219600205559778
Energy: 0.8155748185010018
Energy: 0.8195545621404401
Energy: 0.831075459021894
Energy: 0.8160196548580826
Energy: 0.8159702738735128
Energy: 0.8276880539897369
Energy: 0.8165221014181804
Energy: 0.8282569738890133
Energy: 0.8351503745593912
Energy: 0.8169538110144735
Energy: 0.8154698011384518
Energy: 0.8204104977052614
Energy: 0.8203908383550295
Energy: 0.8199206004296421
Energy: 0.88446545990967
Energy: 0.828636833689607
Energy: 0.8308872970197303
Energy: 0.8336590301608522
Energy: 0.8269616819630294
Energy: 0.8276741239976658
Energy: 0.8347915381265255
Energy: 0.8179223263568933
Energy: 0.8190319126800977
Energy: 0.8215647326743443
Energy: 0.8225235748429812
Energy: 0.8744959703825085
Energy: 0.8767926324027479
Energy: 0.8857946208422682
Energy: 0.8853604702969202
Energy: 0.8367129374250758
Energy: 0.8864561203059059
Energy: 0.8950038813116925
Energy: 0.8832840413856771
Energy: 0.8222359382485741
Energy: 0.8240349462322699
Energy: 0.8845921004322582
Energy: 0.8174265952599047
Energy: 0.8846702120681043
Energy: 0.8691501705337462
Energy: 0.8253201196772068
Energy: 0.8204794222392592
Energy: 0.8233259755314362
Energy: 0.8277075270790353
Energy: 0.8272366725938964
Energy: 0.8698151530461722
Energy: 0.8393419639902363
Energy: 0.8268063802822742
Energy: 0.8246846785297529
Energy: 0.8267638374545876
Energy: 0.8271206815060086
Energy: 0.875748186633496
Energy: 0.8062497838959021
Energy: 0.8060975671384226
Energy: 0.8768581773801581
Energy: 0.8049022671851997
Energy: 0.8103615726588036
Energy: 0.811496112141521
Energy: 0.8725350567200842
Energy: 0.7922473305068585
Energy: 0.8124836745480825
Energy: 0.8280058063271328
Energy: 0.7905437370605213
Energy: 0.877157290405368
Energy: 0.8788460267767043
Energy: 0.9014095206160659
Energy: 0.7983630730028922
Energy: 0.8823015971769768
Energy: 0.898484859556406
Energy: 0.8639194699005179
Energy: 0.8270643958146278
Energy: 0.8300583188041913
Energy: 0.8320613891024893
Energy: 0.8254586126874811
Energy: 0.8276427035522558
Energy: 0.8108248708607518
Energy: 0.7972274178644115
Energy: 0.7911968876247245
Energy: 0.8117615159777288
Energy: 0.7970976951605573
Energy: 0.7910285931881443
Energy: 0.8115728775634224
Energy: 0.7918114626579131
Energy: 0.7932612682940183
Energy: 0.8129262051952098
Energy: 0.7956234820557455
Energy: 0.7979768398326749
Energy: 1.0623775783326002
Energy: 0.8315513410674935
Energy: 0.8433168811409871
Energy: 0.7907659134035094
Energy: 0.8296316408729312
Energy: 0.834757688467121
Energy: 0.8484852250241498
Energy: 0.8036146829006889
Energy: 0.8044451381990846
Energy: 0.8167664355028399
Energy: 0.8125917156850734
Energy: 0.7966875916825193
Energy: 0.8497710554532195
Energy: 0.8176378870890256
Energy: 0.8075756395440739
Energy: 0.813701662988376
Energy: 0.8223048161371677
Energy: 0.8094361869341606
Energy: 0.8312201000763654
Energy: 0.8169615960478823
Energy: 0.8077154514100615
Energy: 0.8323180001723747
Energy: 0.8161942033101737
Energy: 0.8063126354160673
Energy: 0.8497608925014738
Energy: 0.8005777336106913
Energy: 0.7969948026626135
Energy: 0.7915067617369178
Energy: 0.813111830311888
Energy: 0.7960494445527084
Energy: 0.8636163507633442
Energy: 0.7968935217625711
Energy: 0.7904683876128388
Energy: 0.864191009851867
Energy: 0.8099205145015962
Energy: 0.7902823833876536
Energy: 0.856897554889981
Energy: 0.8318701343778472
Energy: 0.8316502352609781
Energy: 0.8580749500213919
Energy: 0.8287348975871027
Energy: 0.8257404633436268
Energy: 0.8321306260057143
Energy: 0.8001410669523874
Energy: 0.8042485066726497
Energy: 0.8321147716833838
Energy: 0.8084561617418143
Energy: 0.8147253305197101
Energy: 0.8764474313120845
Energy: 0.8071498503500552
Energy: 0.7912984576388811
Energy: 0.8638706577447017
Energy: 0.8126732191350318
Energy: 0.7907995134452321
Energy: 0.8765611797171257
Energy: 0.8223874048908205
Energy: 0.8200046871903693
Energy: 0.8219142674305353
Energy: 0.8170432042632982
Energy: 0.816276446622284
Energy: 0.8307095184571506
Energy: 0.8246645643387774
Energy: 0.821896022279908
Energy: 0.8262272694861577
Energy: 0.8191590979362748
Energy: 0.8276356234501586
Energy: 0.8294554399035323
Energy: 0.8236907765217045
Energy: 0.8289452697410351
Energy: 0.8271295424267053
Energy: 0.8233180659373321
Energy: 0.8206495993285354
Energy: 0.8456198947996487
Energy: 0.8850971894257521
Energy: 0.8883409789178109
Energy: 0.8585716284550816
Energy: 0.884606009747765
Energy: 0.8532919362398654

minimum gb energy = 0.7902823833876536 eV
minimum distance =  2.57908694949752 Angstroms
sigma value = 101


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

Energy: 1.1581118016856138
Energy: 0.8615806026849384
Energy: 0.8341585863431086
Energy: 0.9878363535059682
Energy: 0.8269931157876248
Energy: 0.9853254715787512
Energy: 0.8333510017910822
Energy: 0.819765269457372
Energy: 0.8142197825196313
Energy: 0.8700595267130407
Energy: 0.8113557190209978
Energy: 0.8176123787917774
Energy: 0.8336705033181632
Energy: 0.8304010984303025
Energy: 0.8260598673320432
Energy: 0.82569552648756
Energy: 0.8162937588028991
Energy: 0.8293649347385349
Energy: 0.8380728121605475
Energy: 0.8582139725186154
Energy: 0.8305300144672875
Energy: 0.8121444354991096
Energy: 0.8196944732033319
Energy: 0.8141515092198331
Energy: 0.849705368402316
Energy: 0.8254199466380149
Energy: 0.8276973163915884
Energy: 0.8461404073797143
Energy: 0.8251797590050955
Energy: 0.8399401146435139
Energy: 0.8482421257136193
Energy: 0.8166568019620891
Energy: 0.834710266854283
Energy: 0.8488560475376113
Energy: 0.8154072036872582
Energy: 0.8603099122571259
Energy: 0.8695694222235077
Energy: 0.8210576511476119
Energy: 0.8610852710412459
Energy: 0.8587262628229997
Energy: 0.8148906505498054
Energy: 0.868481362884728
Energy: 0.8495092511538044
Energy: 0.8554811782829038
Energy: 0.8599024017796997
Energy: 0.851078379410924
Energy: 0.8359348309498039
Energy: 0.8442276733068567
Energy: 0.8335225076562238
Energy: 0.8162493812231176
Energy: 0.8188145304095233
Energy: 0.8292146327721771
Energy: 0.8251679180079703
Energy: 0.8310910189166696
Energy: 0.834722609819218
Energy: 0.8179374911176999
Energy: 0.819267538399146
Energy: 0.8247808617869739
Energy: 0.8166229373262691
Energy: 0.8320020673968785
Energy: 0.9125936021214124
Energy: 0.8013289331351909
Energy: 0.802228276953224
Energy: 0.9138930762370592
Energy: 0.8026744472693581
Energy: 0.8955157498753226
Energy: 0.8327876230323602
Energy: 0.8417848303062857
Energy: 0.8300233083380568
Energy: 0.8314037738279418
Energy: 0.8395936389662026
Energy: 0.8191104247057283
Energy: 1.0084444718855732
Energy: 0.8268904612354597
Energy: 0.8157462829632656
Energy: 0.8295734960761147
Energy: 0.8254839572944893
Energy: 0.8157419413668845
Energy: 0.837719314306003
Energy: 0.8152532244294511
Energy: 0.8174794229725281
Energy: 0.8240150164311123
Energy: 0.8192821299933318
Energy: 0.8194549000470444
Energy: 0.8323512531490225
Energy: 0.8326697357349342
Energy: 0.8324000001116685
Energy: 0.8262538463854672
Energy: 0.8311442521321233
Energy: 0.83046416485497
Energy: 0.8323885851073246
Energy: 0.8409706546193202
Energy: 0.8153402144830331
Energy: 0.8245709546264759
Energy: 0.8374521433993106
Energy: 0.8136846864909681
Energy: 1.160704758891759
Energy: 0.8520033324604038
Energy: 0.8357134028395296
Energy: 0.7995774846272077
Energy: 0.9159300386061269
Energy: 0.8993128246947779
Energy: 0.9005461425028233
Energy: 0.8251745276532957
Energy: 0.8260471208835789
Energy: 0.8373972428029294
Energy: 0.8373133800039703
Energy: 0.8361962602785755
Energy: 0.8321243398602105
Energy: 0.8355782794692532
Energy: 0.8161708024957844
Energy: 0.8255302420004955
Energy: 0.8365588576448941
Energy: 0.826342041471396
Energy: 0.8382982353882615
Energy: 0.8312903327937992
Energy: 0.8166008026240206
Energy: 0.8385366763039956
Energy: 0.8310180382479805
Energy: 0.815459178062248
Energy: 0.8522973991035288
Energy: 0.8301396395904395
Energy: 0.8193815030956682
Energy: 0.8443157297572318
Energy: 0.9189717061771226
Energy: 0.8372307762782646
Energy: 0.8692176739392887
Energy: 0.81832360265673
Energy: 0.8146379200627958
Energy: 0.8536058785278432
Energy: 0.8244774278911299
Energy: 0.8163662111466484
Energy: 0.8496348824193134
Energy: 0.8305106302190282
Energy: 0.8165018030152661
Energy: 0.8484385202169109
Energy: 0.8309404145506741
Energy: 0.8230628888370444
Energy: 0.8485775551220346
Energy: 0.8303354821159576
Energy: 0.828211391577223
Energy: 0.8494577526669784
Energy: 0.8286229146492685
Energy: 0.8415445015629665
Energy: 0.8377568819691344
Energy: 0.8161382787879032
Energy: 0.8150215209602989
Energy: 0.8338165802724349
Energy: 0.8246347115708349
Energy: 0.8152745629060035
Energy: 0.8337732815484488
Energy: 0.8223988304771656
Energy: 0.8260586667913958
Energy: 0.8297434846796493
Energy: 0.8262943336801303
Energy: 0.8288701946926282
Energy: 0.8297823225917237
Energy: 0.7843285598847094
Energy: 0.7950322069447383
Energy: 0.834715683693392
Energy: 0.8190030391449091
Energy: 0.8069368069342072
Energy: 0.8367928729573476
Energy: 0.818806065879974
Energy: 0.7836765858110529
Energy: 0.8365919147188168
Energy: 0.8282696811428567
Energy: 0.8309125040929362
Energy: 0.8396584109672396
Energy: 0.8411362942218079
Energy: 0.8287707898325674
Energy: 0.8265838646919361
Energy: 0.8491588566846279
Energy: 0.8449477956715857
Energy: 0.842046019771345
Energy: 0.8139656393725248
Energy: 0.8133665356259583
Energy: 0.8321000594364127
Energy: 0.8167083789459169
Energy: 0.8365032041288346
Energy: 0.8339172419243586
Energy: 0.8399197876147769
Energy: 0.8311861781200617
Energy: 0.8252712207094216
Energy: 0.8292871724295066
Energy: 0.8277395617246712
Energy: 0.8329409373732445
Energy: 0.8319662234084405
Energy: 0.8155320393790149
Energy: 0.8251048958917687
Energy: 0.831216000448923
Energy: 0.8157741013590203
Energy: 0.8247284562070339
Energy: 0.8406628381089825
Energy: 0.834492859517487
Energy: 0.8086556857700913
Energy: 0.8296025365314013
Energy: 0.8502866309605573

minimum gb energy = 0.7836765858110529 eV
minimum distance =  2.58932785230123 Angstroms
sigma value = 33


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

Energy: 0.021689650810874175
Energy: 0.5798659295428623
Energy: 0.022647129176900732
Energy: 0.02389611969616851
Energy: 0.5831483144631251
Energy: 0.022353302706676268
Energy: 0.4283755744468172
Energy: 0.12463590360509787
Energy: 0.12429587041751088
Energy: 0.12722136291515948
Energy: 0.12683680060953945
Energy: 0.12390097121762819
Energy: 0.8872632338526902
Energy: 0.5813508482514924
Energy: 0.5785795385624286
Energy: 0.5818434687565982
Energy: 0.5833912288199147
Energy: 0.5782966596255444
Energy: 0.4283755744468172
Energy: 0.12463590360509787
Energy: 0.12429587041713405
Energy: 0.12722136291515948
Energy: 0.12683680060953945
Energy: 0.12390097121762819

minimum gb energy = 0.021689650810874175 eV
minimum distance =  2.74000689684776 Angstroms
sigma value = 1