Model name: model_name=MEAM_LAMMPS_Wagner_2007_Ni__MO_444394830472_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520000003278256
cohesive_energy=4.450350014636681
mass=58.6934
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=[2.0556727302536998e-19, 2.9073097200564e-19, 3.5552299508459994e-19, 4.0808880826950593e-19, 4.521342461148e-19, 4.897517513044859e-19, 5.22267926091516e-19, 5.505928068040019e-19, 5.753864902151519e-19, 5.971424467282379e-19, 6.162484030886879e-19, 6.33008772856962e-19, 6.47676699941232e-19, 6.6045726295065e-19, 6.71523496961688e-19, 6.81026006577942e-19, 6.89086557223596e-19, 6.95820505616298e-19, 7.01319175824186e-19, 7.05669085385496e-19, 7.08945536602026e-19, 7.112158208924039e-19, 7.1253921879208805e-19, 7.1296860213e-19, 7.125087774360419e-19, 7.110235596963239e-19, 7.08336709481106e-19, 7.0424154600460195e-19, 6.98489731888542e-19, 6.907848644556359e-19, 6.807744648464039e-19, 6.680323540762019e-19, 6.52044233445516e-19, 6.321820497138179e-19, 6.0767355374352e-19, 5.775734613205619e-19, 5.406993660890519e-19, 4.955708568391739e-19, 4.4031338690914795e-19, 3.72526895701242e-19, 2.89109569252032e-19, 1.8600149197096198e-19, 5.78018866424814e-20, -1.0278155368306078e-19, -3.0603976974350996e-19, -5.6771526849156e-19, -9.1344896434242e-19, -1.3876019239382817e-18, -2.07231934548096e-18, -3.13174262294712e-18, -4.92385729690782e-18, -8.311179136510619e-18, -1.5624314382403618e-17, -3.39751168299504e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01810389409105246
Energy: 0.8138977694325908
Energy: 0.8138283589794979
Energy: 0.01841941372224491
Energy: 0.8253368907793185
Energy: 0.814086345740543
Energy: 0.8138977694329216
Energy: 0.945269320920767
Energy: 1.6407325981918814
Energy: 1.3601413540099632
Energy: 0.9462844708686842
Energy: 0.4863467374502389
Energy: 0.8138283589788731
Energy: 1.6407326209762891
Energy: 0.9460539752322846
Energy: 0.8147376306786388
Energy: 1.2480236462551104
Energy: 0.48641939962147396
Energy: 0.01841941372224491
Energy: 1.3599956371706556
Energy: 0.8147376306786388
Energy: 0.018500040547980736
Energy: 0.8145335565085968
Energy: 0.8149821449468089
Energy: 0.8253373006076564
Energy: 1.0739006107210733
Energy: 0.9452264433366745
Energy: 0.8145326123216458
Energy: 0.9468363360516096
Energy: 0.48780697288686947
Energy: 0.814086345740543
Energy: 0.48634761378015035
Energy: 0.4865528526213822
Energy: 0.8149821449474337
Energy: 0.48780697419291086
Energy: 1.8618924507110064

minimum gb energy = 0.01810389409105246 eV
minimum distance =  2.37136179926142 Angstroms
sigma value = 1


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

Energy: 2.3433099517992466
Energy: 2.0644562542306173
Energy: 2.045132247684302
Energy: 2.3942355700512405
Energy: 2.5852343872892525
Energy: 2.319080005981677
Energy: 2.3777736426962495
Energy: 1.826858037945997
Energy: 2.1537149683775603
Energy: 2.3708137909057343
Energy: 1.8454445114565898
Energy: 2.052374511370687
Energy: 2.3477666674965088
Energy: 1.723200997975446
Energy: 1.9333250837626093
Energy: 2.326183497326976
Energy: 1.6173639397679134
Energy: 1.9175469686354734
Energy: 2.1407723336909497
Energy: 2.0296302947671006
Energy: 1.9940986454096992
Energy: 2.1069057684787564
Energy: 1.899624483447601
Energy: 2.0697041416186734
Energy: 2.188546904613901
Energy: 1.7756001710665366
Energy: 1.9252468860926277
Energy: 2.1183955983167326
Energy: 1.8000830904755194
Energy: 1.7676416466018434
Energy: 2.043240019746445
Energy: 1.7653213359028328
Energy: 1.60642456290809
Energy: 2.1377820022068654
Energy: 1.8500152461042538
Energy: 1.7597689695329846
Energy: 2.009200524578359
Energy: 1.7974934055236107
Energy: 1.9502570915197888
Energy: 1.9562186731255158
Energy: 1.7391157191100803
Energy: 1.8936328167781533
Energy: 1.8999579842939767
Energy: 1.890547913385377
Energy: 1.7254493864215847
Energy: 1.8023276646511546
Energy: 1.8864924214659908
Energy: 1.8086510346812783
Energy: 1.7911522417272223
Energy: 1.9613259542246733
Energy: 1.819756684378559
Energy: 1.9228979264547912
Energy: 1.9342434098701886
Energy: 1.7018747376389705
Energy: 1.8077195708998417
Energy: 2.117526679444587
Energy: 1.9842437544644822
Energy: 1.834879678731562
Energy: 2.0592873051152405
Energy: 2.0021932017474846
Energy: 2.0014679134907154
Energy: 2.1273494550839978
Energy: 2.0043327229847097
Energy: 1.9540087852434318
Energy: 2.071771704696365
Energy: 2.1191750574696906
Energy: 1.8087944556947126
Energy: 2.2469422073102154
Energy: 2.1592064184171145
Energy: 1.7565208997349038
Energy: 2.415700619886775
Energy: 1.9480086980611977
Energy: 1.762292896906549
Energy: 2.398845243623399
Energy: 2.1910908033169303
Energy: 1.8156508983965283
Energy: 2.414618417950832
Energy: 2.021759377217752
Energy: 2.217901701001187
Energy: 2.230594211556386
Energy: 2.075756448571571
Energy: 2.322542141091896
Energy: 2.1499907053883134
Energy: 2.277221789065164
Energy: 1.7296257022970867
Energy: 2.285527672571752
Energy: 2.0161235764793535
Energy: 1.7707369580784693
Energy: 2.3230800934488824
Energy: 1.908402311417844
Energy: 1.7981987826727939
Energy: 2.075399102853058
Energy: 2.038775799874037
Energy: 1.729101418846953
Energy: 2.1550811022666205
Energy: 1.8337645740760071
Energy: 1.7458684681801333
Energy: 2.0264124373008623
Energy: 1.8898785750161537
Energy: 1.7485399980648426
Energy: 2.0315764994239447
Energy: 2.0161374835769528
Energy: 1.85532689741525
Energy: 2.0125721015748064
Energy: 1.7821751455075812
Energy: 1.87058228615172
Energy: 1.9735921428078642
Energy: 1.7449622547205443
Energy: 1.8954400994091973
Energy: 1.848143258672451
Energy: 1.6362926742530681
Energy: 1.8580489213460603
Energy: 1.9868028900391064
Energy: 1.6956328729167656
Energy: 1.9593155803241031
Energy: 1.7883627391486845
Energy: 1.897219255628722
Energy: 1.9543771854934595
Energy: 1.8459880984430963
Energy: 1.7383687504579728
Energy: 1.96467530944802
Energy: 1.9018632197473995
Energy: 1.9251011776402143
Energy: 2.0281057198837136
Energy: 1.936266693345799
Energy: 1.8943851225263668
Energy: 2.32130692020834
Energy: 1.6427894919594275
Energy: 1.7023356682359507
Energy: 2.2982310052516075
Energy: 1.5942597815906574
Energy: 1.8326141093164194
Energy: 2.3663674093281255
Energy: 1.9761366909232816
Energy: 2.064725080125914
Energy: 2.412007868468817
Energy: 1.787568770112741
Energy: 1.9056044085511288

minimum gb energy = 1.5942597815906574 eV
minimum distance =  2.25825902825178 Angstroms
sigma value = 33


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

Energy: 2.1955863950897005
Energy: 1.9008387602167156
Energy: 2.018680607541312
Energy: 2.139101189067237
Energy: 2.598085500410665
Energy: 2.105626834929742
Energy: 2.2778656776289363
Energy: 2.0025965189581973
Energy: 2.356608385301886
Energy: 2.072946826024175
Energy: 1.9898886796205426
Energy: 2.1104035132780954
Energy: 2.3773017080589307
Energy: 1.9859026550886003
Energy: 1.9757179991503888
Energy: 2.3024906378942553
Energy: 1.8221346485449523
Energy: 2.065129105104111
Energy: 1.9503539941675765
Energy: 2.121909864884868
Energy: 2.238244019913563
Energy: 1.825180584915937
Energy: 2.241748034603895
Energy: 1.8016035073185468
Energy: 2.10909379849085
Energy: 1.7695322490090484
Energy: 1.7788147990953211
Energy: 2.0373069258422114
Energy: 1.6184914309676073
Energy: 1.8108938164296235
Energy: 1.773234217034606
Energy: 1.8887317590740949
Energy: 2.130948554423885
Energy: 1.8842585846744555
Energy: 1.725799442289665
Energy: 1.8433718706782383
Energy: 1.9499459283826022
Energy: 1.897317928252816
Energy: 1.7931685838080416
Energy: 2.080223849764372
Energy: 1.9668205532782406
Energy: 1.9686555126473473
Energy: 1.878017402360312
Energy: 1.6801005888256129
Energy: 1.7082368398893968
Energy: 1.972601833554927
Energy: 1.5957116222461207
Energy: 1.4290013287286687
Energy: 1.7457088289754352
Energy: 1.8500719465634596
Energy: 1.766099574919924
Energy: 1.7155713545022824
Energy: 2.0612877125584825
Energy: 1.5567217642431597
Energy: 1.9098602755159049
Energy: 2.204871794992799
Energy: 2.17831871269942
Energy: 1.7973286707715757
Energy: 2.1838405423516343
Energy: 1.9104939327910242
Energy: 2.411563597631788
Energy: 2.196344311048176
Energy: 2.097324698065408
Energy: 1.7536528500248185
Energy: 2.2987663094269024
Energy: 2.046265632763571
Energy: 1.9548812609368071
Energy: 2.29593525201815
Energy: 1.8697160439551748
Energy: 1.8178683618863023
Energy: 2.2624868271702496
Energy: 1.972991272911335
Energy: 1.786633080192126
Energy: 2.1145908267673725
Energy: 2.1659262769352687
Energy: 1.6966265088419887
Energy: 2.3034051366155652
Energy: 1.821826104530094
Energy: 2.1934231114346767
Energy: 2.0264655443977087
Energy: 2.1130701487267713
Energy: 2.1894751829174592
Energy: 1.9025907634510348
Energy: 1.794991970208345
Energy: 1.6466482976754522
Energy: 2.070777754485544
Energy: 1.8767277856243902
Energy: 1.6819526212243947
Energy: 2.168210621839822
Energy: 1.8616311574811077
Energy: 1.80295527273811
Energy: 1.8950440928520704
Energy: 1.6745608908378793
Energy: 1.787032068847806
Energy: 1.9474979807974082
Energy: 1.6897339078157387
Energy: 1.724533563699684
Energy: 1.856844726780764
Energy: 1.8219279589232367
Energy: 1.8039388094554851
Energy: 1.950887083691338
Energy: 1.9000576459525744
Energy: 1.9172114859089724
Energy: 2.085045280942647
Energy: 2.225190464524661
Energy: 1.8449902548735995
Energy: 1.852519547994053
Energy: 1.7965979737963722
Energy: 2.0560607222987697
Energy: 1.7850087233394765
Energy: 1.580423053200039
Energy: 2.065953593383015
Energy: 1.7791776251324707
Energy: 1.632299866730591
Energy: 1.9895342851769506
Energy: 1.869547974610135
Energy: 1.9012224507882325
Energy: 2.2859245920689237
Energy: 1.8430341828497478
Energy: 2.197144704376307
Energy: 2.2725572571506096
Energy: 1.793853911171387
Energy: 1.7972324368990757
Energy: 2.2217284933547723
Energy: 2.103636087409107
Energy: 2.0970152296575915
Energy: 2.2680050728266505
Energy: 1.731790823413153
Energy: 1.7291742915970698
Energy: 2.2590190560715193
Energy: 1.6993735869439304
Energy: 2.114024117575814
Energy: 2.2073842365026133
Energy: 1.775299636761722
Energy: 1.6759101502540013
Energy: 2.1577595354836747
Energy: 1.6220613890576987
Energy: 1.9192667666683847
Energy: 1.936849636598832
Energy: 2.4353560791588933
Energy: 2.377454561747414
Energy: 1.8395102803735097
Energy: 2.208149978766226
Energy: 1.7548610825592568
Energy: 2.0327993728614575
Energy: 1.8269867597877791
Energy: 1.8339838360864535
Energy: 2.395208155995693
Energy: 1.6155144164997792
Energy: 1.8019136822210242
Energy: 1.9830775517471853
Energy: 1.533532042794787
Energy: 1.6513888128210725
Energy: 1.886907203199124
Energy: 1.624078309100322
Energy: 1.840396730951966
Energy: 1.9050045903903499
Energy: 2.0122218349531122
Energy: 1.7472515847671466
Energy: 1.9101821405055994
Energy: 1.8676755372690708
Energy: 1.8884403574937831
Energy: 2.068966072540218
Energy: 1.8857200377882792
Energy: 1.810448790902371
Energy: 2.113210169910678
Energy: 1.8725188640368466
Energy: 1.869552484489056
Energy: 1.8340751181181436
Energy: 1.7567042043128929
Energy: 1.5515290528182917
Energy: 1.8006396607580573
Energy: 1.8915833731281289
Energy: 1.6785846883186282
Energy: 1.855769164690982
Energy: 2.1862732567362446
Energy: 2.0476273284662256
Energy: 1.8390734909432769
Energy: 2.151869082652925
Energy: 1.7845511281062563
Energy: 1.8427703156554864
Energy: 2.0782850804825594
Energy: 2.2423168677461365
Energy: 1.7775644409629419
Energy: 2.220567579078709
Energy: 2.305624272508449
Energy: 1.8139754130577033
Energy: 2.2370720048363273
Energy: 2.048048720966536
Energy: 1.7120420876706146
Energy: 2.0529141555680264
Energy: 1.925732591608996
Energy: 1.5665612876663628
Energy: 2.144236921629541
Energy: 1.9964044700974386
Energy: 1.5531935795741407
Energy: 2.412030545980698
Energy: 2.154625872436107
Energy: 2.030139847700921
Energy: 2.19260979642326
Energy: 2.1873059624213753
Energy: 2.045600524119724
Energy: 2.0033127572022265
Energy: 1.8794136861814483
Energy: 2.1257238968343795
Energy: 2.0666346430013
Energy: 1.8522281815426782
Energy: 1.7366533076600938
Energy: 2.159278575947598
Energy: 1.7433881089404097
Energy: 1.587065245420038
Energy: 1.849195759149934
Energy: 1.7825018443223573
Energy: 1.575473868751155
Energy: 2.0670802696318753
Energy: 1.6404574381557895
Energy: 1.7153459420798194
Energy: 1.9028759936206425
Energy: 1.7690090062043964
Energy: 1.9164253765932866
Energy: 2.16460310503476
Energy: 1.8374470367169626
Energy: 1.8942290058995663
Energy: 2.2029630453472473
Energy: 2.0386887946445245
Energy: 2.0075977234799134
Energy: 2.037545951597741
Energy: 2.0001302086284487
Energy: 2.0535623979708486
Energy: 1.8430992995076771
Energy: 1.8634576553293882
Energy: 1.8011473044378468
Energy: 1.9851490601840287
Energy: 1.8431107733197238
Energy: 2.0401978654420336
Energy: 1.7458401077379837
Energy: 1.5171009161558575
Energy: 1.9185476399439818
Energy: 1.806449526275907
Energy: 1.6720509405180803
Energy: 2.295253652168895
Energy: 1.9131786904819275
Energy: 1.7322040751512642
Energy: 2.2117756812165807
Energy: 1.7496793238990809
Energy: 2.1213054696314413

minimum gb energy = 1.4290013287286687 eV
minimum distance =  2.26066108051336 Angstroms
sigma value = 51


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

Energy: 1.8767557352018511
Energy: 2.0798828702469403
Energy: 2.205535621773998
Energy: 1.8843970999811026
Energy: 2.9936132741582795
Energy: 2.3007930879044025
Energy: 2.376183409842434
Energy: 2.076322444371551
Energy: 2.193394988932777
Energy: 2.3376470122543203
Energy: 1.904402823847875
Energy: 2.0633722068041145
Energy: 2.159566908646278
Energy: 1.7295229091183313
Energy: 1.8596333285751094
Energy: 2.174618737444751
Energy: 1.6562873684203485
Energy: 1.9390842481320383
Energy: 2.091169781621988
Energy: 2.0366671830631855
Energy: 2.197949761797482
Energy: 2.022605682407758
Energy: 1.920113107670577
Energy: 1.9974359536161321
Energy: 1.929662157208765
Energy: 1.9976063400601216
Energy: 1.7299342635157369
Energy: 2.045203219738646
Energy: 1.9525655467546617
Energy: 1.8061005628931681
Energy: 1.8737605139578073
Energy: 1.8507474234893846
Energy: 1.7017637939095094
Energy: 1.813457835075649
Energy: 1.8083300726392895
Energy: 1.725787491877872
Energy: 1.876823026108947
Energy: 2.0867826379169374
Energy: 1.9921634572986477
Energy: 1.9191750440194375
Energy: 1.9607441155955225
Energy: 1.835226138592113
Energy: 1.9559930550301607
Energy: 2.218527652938772
Energy: 1.9854237903080503
Energy: 1.9613885269862976
Energy: 2.0135698159874056
Energy: 2.0567129726806312
Energy: 2.089241307901388
Energy: 2.3049480735741383
Energy: 2.190394865587852
Energy: 2.028458023587742
Energy: 2.22394265852582
Energy: 2.068297902411689
Energy: 2.0650953367957534
Energy: 2.317734735626918
Energy: 2.098312942419521
Energy: 1.7397744967817337
Energy: 2.4720709649898813
Energy: 2.0056654427184117
Energy: 2.243087641375094
Energy: 2.35751155230028
Energy: 2.2063949278272994
Energy: 2.2923063630242204
Energy: 2.19089327383027
Energy: 2.108113901538569
Energy: 1.9923216099440277
Energy: 2.3567227955435657
Energy: 2.2178489860064343
Energy: 2.1625736259613326
Energy: 2.5368786108558936
Energy: 2.252887218823665
Energy: 1.6399180408719864
Energy: 2.2064620000481496
Energy: 2.1564936920985844
Energy: 1.6809083832544818
Energy: 2.272968206440149
Energy: 1.7479738731649117
Energy: 1.812043635960679
Energy: 1.870987224121534
Energy: 1.7560737496536825
Energy: 1.7714429971022807
Energy: 1.8979084023762423
Energy: 1.863127636810807
Energy: 1.9579040166319446
Energy: 2.120376482200069
Energy: 2.1035556616159234
Energy: 1.894107774095817
Energy: 2.1057193795728155
Energy: 2.0310912200261546
Energy: 1.8626661613999067
Energy: 1.7448070980934367
Energy: 1.672139786292695
Energy: 1.9003653845709094
Energy: 1.6951846938917203
Energy: 1.8185826317926452
Energy: 2.112005739846027
Energy: 1.9693390370341346
Energy: 1.932101367512037
Energy: 2.244275917259389
Energy: 1.8416472676099391
Energy: 1.9121216035877333
Energy: 2.1957402335044405
Energy: 2.010972286648874
Energy: 2.3271263734459064
Energy: 2.1843332369147475
Energy: 1.9631120240749877
Energy: 2.238950384350115

minimum gb energy = 1.6399180408719864 eV
minimum distance =  2.2721059175391 Angstroms
sigma value = 19


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

Energy: 1.506332999789974
Energy: 1.7852812369176028
Energy: 1.7916992160209968
Energy: 1.5116780408078831
Energy: 3.5437674280242026
Energy: 1.4940204455635857
Energy: 1.7572626365104778
Energy: 1.7000561388031614
Energy: 2.125659899876609
Energy: 1.7454856719521399
Energy: 2.16579124452305
Energy: 1.9219487959133268
Energy: 2.3910540222008874
Energy: 1.654423267564362
Energy: 1.9390110876716409
Energy: 2.4332461238357324
Energy: 1.691255005480915
Energy: 2.288518679843188
Energy: 2.3313551617084234
Energy: 2.205049844063109
Energy: 2.7280483963164555
Energy: 2.3007113486185355
Energy: 2.4176832317375077
Energy: 2.205082438181199
Energy: 2.280608684035109
Energy: 2.2878733381468335
Energy: 2.0571650051486037
Energy: 2.326476603292145
Energy: 1.7575588961079323
Energy: 1.8650244431560645
Energy: 1.5343892093824354
Energy: 1.8953160364380968
Energy: 1.8236025408340901
Energy: 1.5141534925063462
Energy: 1.8813602867215073
Energy: 1.508072499795194
Energy: 1.8085856659415358
Energy: 1.8130462316357683
Energy: 1.767407631126657
Energy: 1.7004383567387613
Energy: 1.828351802893082
Energy: 1.9044578613124414
Energy: 2.115358642698293
Energy: 1.846511129666887
Energy: 1.6880155156118057
Energy: 1.7698263494602904
Energy: 1.7806391431057753
Energy: 1.6986483081348132
Energy: 1.7316049392209532
Energy: 2.1084609717907217
Energy: 1.9937291953515117
Energy: 1.7784013497432487
Energy: 1.8778505537689616
Energy: 1.7008723254689058
Energy: 1.5505778290425651
Energy: 2.2829911962910363
Energy: 1.7546571172024148
Energy: 1.5925851907246185
Energy: 2.4107698938468785
Energy: 1.7710437646844401
Energy: 2.271090277087803
Energy: 1.894791001375756
Energy: 1.9187777571776494
Energy: 2.275944862369671
Energy: 1.7631057975841826
Energy: 2.219197396647743
Energy: 1.7525703315899201
Energy: 2.4307166886336007
Energy: 1.9392077545992055
Energy: 2.1611854195715687
Energy: 2.390312795262196
Energy: 1.851228913544516
Energy: 2.05039349209944
Energy: 1.9303965363726552
Energy: 1.6099524361169062
Energy: 1.3701453836395567
Energy: 1.9398159418040657
Energy: 1.6263528969195478
Energy: 1.7167234451104312
Energy: 1.58967576709634
Energy: 1.6999402772079486
Energy: 2.0743361506557285
Energy: 1.5873525954421224
Energy: 1.9071373996381087
Energy: 2.1467648581991017
Energy: 1.959363168471535
Energy: 2.2716998285111467
Energy: 2.0134606982148977
Energy: 2.027009626885614
Energy: 1.6620551494611437
Energy: 1.7575060777959317
Energy: 2.0841730408942305
Energy: 1.6686208109021166
Energy: 1.8066555086519696
Energy: 2.0855429494070243
Energy: 1.716359754857416
Energy: 2.289895936828312
Energy: 1.7526400384642167
Energy: 1.9612507103268593
Energy: 2.2174656061277553
Energy: 1.7827760690565413
Energy: 1.938487725902419
Energy: 2.0229616057102926
Energy: 1.8571616220809832
Energy: 2.193613860778157
Energy: 1.9953502952120028
Energy: 2.077521111688957
Energy: 2.386811077640848
Energy: 2.464996868222192
Energy: 2.057625135384073
Energy: 1.898286547536585
Energy: 2.464710299480623
Energy: 1.9593054836602213
Energy: 1.9812248266545256
Energy: 2.2192879116198503
Energy: 2.0080765558508458
Energy: 2.165207743624161
Energy: 1.7890962336594034
Energy: 1.9676741141780714
Energy: 1.7645835891531796
Energy: 1.5431371654376103
Energy: 1.9276948539874261
Energy: 1.9642242026650647
Energy: 1.5769146171756812
Energy: 1.8076608326793941
Energy: 1.5162082744042875
Energy: 2.1155094374024186
Energy: 1.8489826002026724
Energy: 1.9576019378245317
Energy: 2.1110626732094806
Energy: 1.9202739696643443
Energy: 2.1012773421807287
Energy: 2.4675812812908187
Energy: 1.5510990277559509
Energy: 1.7420599463869793
Energy: 2.399342022923057
Energy: 1.5369314382873147
Energy: 1.7157634105999493
Energy: 2.0750634211027075
Energy: 2.1767332132121147
Energy: 2.227114424295445
Energy: 2.2922322222710343
Energy: 2.113044541413312
Energy: 1.9561428770431957
Energy: 1.5989301303597487
Energy: 2.207750508109154
Energy: 2.012343594721533
Energy: 1.6614014381308406
Energy: 2.038313022121787
Energy: 2.0167981159747312
Energy: 2.2095311666087234
Energy: 2.0298111813107385
Energy: 2.044445919744236
Energy: 2.1208290704012858
Energy: 2.2652671093020302
Energy: 2.2825340815265367
Energy: 1.7589523970330363
Energy: 2.377475924714811
Energy: 2.1837668644423274
Energy: 1.7017701935363403
Energy: 2.352733555987756
Energy: 2.307153629787654
Energy: 1.562469021796346
Energy: 1.646830218283854
Energy: 1.6035596113062893
Energy: 1.5732394745253664
Energy: 1.5105347982890227
Energy: 1.6919335146878494
Energy: 1.98396269912547
Energy: 1.8040847245954574
Energy: 1.7889723408019982
Energy: 1.8918776634217653
Energy: 1.699809148094426
Energy: 1.9972265842743646
Energy: 1.787665817574552
Energy: 2.156951538238916
Energy: 1.6823217073407348
Energy: 1.7701362682155233
Energy: 1.7871608855401249
Energy: 1.6435468515226277

minimum gb energy = 1.3701453836395567 eV
minimum distance =  2.30371233762883 Angstroms
sigma value = 27


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

Energy: 1.8715148269898916
Energy: 2.0176605157076173
Energy: 2.0386811994430776
Energy: 1.8559465595050144
Energy: 3.287444786909909
Energy: 2.0634522356446574
Energy: 2.722696744344451
Energy: 1.7823133993024673
Energy: 1.8527407246219219
Energy: 2.2391989853843204
Energy: 1.8077041285955828
Energy: 2.111999946747717
Energy: 1.984658198581975
Energy: 1.5087397249343528
Energy: 1.5941454381671687
Energy: 1.8722661397763556
Energy: 1.4006004495048237
Energy: 1.8232568846658979
Energy: 2.132508249835983
Energy: 1.8760598493273284
Energy: 1.9625405544540488
Energy: 1.9988006553166842
Energy: 2.1422782781722733
Energy: 1.961633524229991
Energy: 2.1930244589857693
Energy: 2.0222979705187405
Energy: 1.9960638209096457
Energy: 2.067544929525902
Energy: 1.9556773191388541
Energy: 2.045678035358222
Energy: 1.790017616606767
Energy: 1.8424680991946332
Energy: 1.671894280153894
Energy: 1.8052855676270672
Energy: 1.6311698894556839
Energy: 1.6037311069267608
Energy: 2.075508083262554
Energy: 1.9719680053548043
Energy: 2.026548714796723
Energy: 1.4719518214001077
Energy: 1.9873567805411727
Energy: 1.7384434207524053
Energy: 2.493899735512784
Energy: 2.151861817588178
Energy: 2.001045642639767
Energy: 2.3008833854438464
Energy: 2.0399930085721136
Energy: 1.9898603371847843
Energy: 2.540666748086091
Energy: 2.4212730535435885
Energy: 2.266028097233735
Energy: 2.4816804302098068
Energy: 2.3562272958399646
Energy: 2.3167242344168875
Energy: 1.7667576825160394
Energy: 2.126428874364238
Energy: 1.9477467123535748
Energy: 1.6576729308108145
Energy: 2.1560224734034295
Energy: 1.8404440082750477
Energy: 1.790598527488557
Energy: 1.3065175221969718
Energy: 1.432183156633807
Energy: 1.7267493536509038
Energy: 1.3035506597230009
Energy: 1.5570094634286105
Energy: 2.5304561306464155
Energy: 1.8028049359426872
Energy: 1.9049124687389765
Energy: 2.151028420410104
Energy: 1.8478755353601426
Energy: 1.9589514687063991

minimum gb energy = 1.3035506597230009 eV
minimum distance =  2.31259829324745 Angstroms
sigma value = 9


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

Energy: 2.1594884805550287
Energy: 2.4923226271646453
Energy: 1.9778598263366085
Energy: 2.170888941256606
Energy: 3.2073493540564035
Energy: 2.175442611803005
Energy: 2.6063544350693864
Energy: 2.068947986827541
Energy: 2.0373629946790333
Energy: 2.360383578534543
Energy: 2.0772270833436264
Energy: 2.205481461395751
Energy: 2.135966910921208
Energy: 1.1624149128808121
Energy: 1.4506467234082854
Energy: 1.7777775942614453
Energy: 1.2740808201377227
Energy: 1.4785550205125413
Energy: 1.94359963033698
Energy: 1.822089454646369
Energy: 1.8186138763951984
Energy: 1.9765448894731776
Energy: 1.814695729272193
Energy: 2.082942556399002
Energy: 2.1451639945525196
Energy: 2.3096768021830063
Energy: 2.1030950024431023
Energy: 2.061778379486813
Energy: 2.2815793719569784
Energy: 2.0731903040726665
Energy: 2.005637042223602
Energy: 1.9982454216289045
Energy: 2.246488353474037
Energy: 2.0572424950870025
Energy: 1.9343596644079983
Energy: 2.0573269719332545
Energy: 1.819747636090462
Energy: 1.9514168419222335
Energy: 1.9928898164996995
Energy: 1.7723349208207804
Energy: 2.3123092104115246
Energy: 1.814429214325409
Energy: 1.5993617396314213
Energy: 1.7125713644826963
Energy: 2.0339066068462266
Energy: 1.6003545522467704
Energy: 1.7309451548924841
Energy: 1.822765182707207
Energy: 1.9837472624467727
Energy: 2.0838202888633797
Energy: 2.0034770221178926
Energy: 2.0427850775324305
Energy: 2.150551811340175
Energy: 2.054919247447822
Energy: 1.8809009135063135
Energy: 1.9646600587140646
Energy: 1.9612723309450117
Energy: 1.882218594348083
Energy: 1.8792726826850854
Energy: 1.8973632396339546
Energy: 2.2706667852259437
Energy: 1.6356563959980994
Energy: 1.552138537982436
Energy: 2.21118227493998
Energy: 1.5685064537267162
Energy: 1.8386366621297685
Energy: 2.6755414619932796
Energy: 1.9034676651736093
Energy: 1.8192008003797493
Energy: 2.0713278135903344
Energy: 1.7733572156020807
Energy: 2.264384702676136
Energy: 1.909322967872827
Energy: 2.35391693823558
Energy: 1.8273577576832603
Energy: 1.9327590616722332
Energy: 2.344999381753144
Energy: 1.8721572737810346
Energy: 2.386573012709378
Energy: 2.0624076975137484
Energy: 1.9969930938785212
Energy: 2.2650335883148056
Energy: 2.000410661820955
Energy: 2.1054400721623288
Energy: 2.037127001566002
Energy: 1.147352559115097
Energy: 1.252952575301081
Energy: 1.769059364733862
Energy: 1.1066866584896693
Energy: 1.5447724184668061
Energy: 1.7234824531193016
Energy: 1.9527102202918025
Energy: 2.001815943935107
Energy: 1.5860915633168977
Energy: 1.978497633063146
Energy: 1.8280393028338446
Energy: 2.0020143990657226
Energy: 2.4984200792319577
Energy: 2.345096241526263
Energy: 2.0725732757640345
Energy: 2.5178728516151465
Energy: 2.079448412614226
Energy: 2.6070432166504633
Energy: 2.344956425149307
Energy: 2.578008078062125
Energy: 2.7212380218367533
Energy: 2.1728200818107517
Energy: 2.464754613622353
Energy: 1.9166167052483243
Energy: 2.132465642703536
Energy: 2.0621681340077505
Energy: 1.9584419344811164
Energy: 2.3860416946764484
Energy: 1.9244912787889052
Energy: 1.1176163652869788
Energy: 1.2773970950172298
Energy: 1.2792418677572204
Energy: 1.1651196750843713
Energy: 1.2997979437359677
Energy: 1.308312780102168
Energy: 2.129212694658572
Energy: 1.9038061343136012
Energy: 1.777706927268112
Energy: 2.1136654695203654
Energy: 1.936413167531364
Energy: 2.0595909700161728
Energy: 2.476624312152955
Energy: 2.5238120939976723
Energy: 2.2639395539825657
Energy: 2.4984039583330224
Energy: 2.693985423620105
Energy: 2.2803542582243588
Energy: 2.7132310078703066
Energy: 2.1937388818262695
Energy: 2.3076386055120484
Energy: 2.7963460818447032
Energy: 2.121726913953819
Energy: 2.4503702492122117
Energy: 2.225996095866528
Energy: 1.619897263700211
Energy: 1.7771356924453339
Energy: 2.17502296443026
Energy: 1.4328901980764257
Energy: 1.9815780973910857
Energy: 1.3818487564089705
Energy: 1.5538990023236268
Energy: 1.595192630750314
Energy: 1.373122503476196
Energy: 1.5862930319853366
Energy: 1.4158521700789017
Energy: 2.1890267025783414
Energy: 1.9003416799015909
Energy: 1.9825488191177238
Energy: 2.059681182798045
Energy: 2.0467546562927064
Energy: 1.8554831285070919
Energy: 2.4286253459834697
Energy: 1.5632121169794082
Energy: 1.802865809643719
Energy: 2.3351418390891583
Energy: 1.622826624778001
Energy: 2.002262318135069
Energy: 1.7243135911163259
Energy: 2.1477312588143285
Energy: 2.347592774574443
Energy: 1.7942351355374904
Energy: 2.289217876758001
Energy: 1.8325276066054375
Energy: 1.4157979448828169
Energy: 2.0023563466191954
Energy: 1.7824561050270524
Energy: 1.4437699700261508
Energy: 1.938645698229441
Energy: 1.7697705518521272
Energy: 2.22349164357119
Energy: 1.785276885996895
Energy: 2.0384809758885973
Energy: 1.9847602463335445
Energy: 1.68164499723322
Energy: 1.9962205655390561
Energy: 2.4189940604384543
Energy: 2.066803675439542
Energy: 2.082048565414728
Energy: 2.346823259407283
Energy: 2.403570229176064
Energy: 2.0083169268031007
Energy: 1.9231484181632876
Energy: 1.7221148684840994
Energy: 1.6301827858297304
Energy: 1.7659066209177046
Energy: 1.6786165643359452
Energy: 1.8095203701187565
Energy: 2.246880427506797
Energy: 1.8994303022724053
Energy: 1.691135711967069
Energy: 2.2642853567830956
Energy: 1.8710494895860723
Energy: 2.1286762870775147
Energy: 2.1463573105842584
Energy: 2.183595918225698
Energy: 1.9849888361656418
Energy: 2.1630476908611573
Energy: 2.148533838975899
Energy: 2.0509325251660173
Energy: 2.6645146575907632
Energy: 2.0994447323351415
Energy: 2.0322191808284846
Energy: 2.5389057127343158
Energy: 2.272100308698273
Energy: 2.1649261294982423
Energy: 2.216246478845492
Energy: 1.58214826023623
Energy: 1.7350532664620486
Energy: 2.0706967997629464
Energy: 1.384601443474916
Energy: 1.933729138117787
Energy: 1.1201168222960203
Energy: 1.5376342673723424
Energy: 1.61052862619525
Energy: 1.185766714474438
Energy: 1.604817870352374
Energy: 1.3657958102617913
Energy: 1.9900630585727614
Energy: 2.6164091048470826
Energy: 2.4157438781490317
Energy: 1.9899623162480156
Energy: 2.433166306184628
Energy: 1.9621786818771707
Energy: 2.6663710046386315
Energy: 1.8898858192246628
Energy: 2.051578667897124
Energy: 2.5488591896975197
Energy: 1.902459964947606
Energy: 2.2472754390904752
Energy: 2.1260274076380674
Energy: 2.3867659116332063
Energy: 2.367548690488961
Energy: 2.0983000972889174
Energy: 2.4705914776398403
Energy: 2.0285702740899065
Energy: 1.0716023221855302
Energy: 1.6367292567428466
Energy: 1.441853788317864
Energy: 1.1088106782072165
Energy: 1.5708965267569222
Energy: 1.380233653855995
Energy: 2.0288156265466504
Energy: 1.666492240818084
Energy: 1.7032527762667424
Energy: 1.9924399857977746
Energy: 1.3945864216509407
Energy: 1.7176069879175988
Energy: 2.6852754998200057
Energy: 2.303879664233683
Energy: 2.24317341215099
Energy: 2.839232685427974
Energy: 2.3174513664071537
Energy: 2.288294931084676

minimum gb energy = 1.0716023221855302 eV
minimum distance =  2.27580610420361 Angstroms
sigma value = 57


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

Energy: 0.4145640090958951
Energy: 0.6369586344201982
Energy: 0.8345893072986426
Energy: 0.41861083836728313
Energy: 2.8994429064325713
Energy: 0.8332015931660856
Energy: 1.3556181071115097
Energy: 0.810297658436943
Energy: 1.0984710630019563
Energy: 0.8073485917481439
Energy: 0.8080374749076996
Energy: 0.9816997336477228
Energy: 2.324734210492038
Energy: 2.002452183385522
Energy: 1.7630902761503757
Energy: 2.2497755200659237
Energy: 1.6225767231214296
Energy: 1.732872469449858
Energy: 2.2697864446874214
Energy: 1.6702182291623946
Energy: 2.112853640374526
Energy: 2.2494805824473674
Energy: 1.967853863015795
Energy: 2.496884580051156
Energy: 1.3675076693524097
Energy: 0.6341251839542801
Energy: 0.634092577931963
Energy: 1.628377800913236
Energy: 0.41606255980614637
Energy: 1.3733862804373425
Energy: 2.70094691685272
Energy: 0.44640732001751526
Energy: 0.6370004516238574
Energy: 1.6178749802028176
Energy: 0.4159764249530142
Energy: 0.8334796018195842
Energy: 1.7209155360323931
Energy: 1.6271405944651953
Energy: 1.5011363096370895
Energy: 2.0647339469852533
Energy: 1.527872113794231
Energy: 0.8106056841625094
Energy: 1.5529656780174443
Energy: 1.8541242989215125
Energy: 1.8914453932335296
Energy: 1.5718199219521443
Energy: 2.175382878672979
Energy: 1.7303473537225638
Energy: 1.7853207928024055
Energy: 1.8431651268785925
Energy: 2.2283420919476704
Energy: 1.7558521640511702
Energy: 2.5979642470548048
Energy: 1.7434179481784815
Energy: 0.4158693898448548
Energy: 1.7838849928717855
Energy: 0.8328535507820316
Energy: 0.4158264297845747
Energy: 2.9895332899121634
Energy: 0.8331102719441599
Energy: 0.41561884015343215
Energy: 1.364555256053023
Energy: 1.2673810953671425
Energy: 0.4158995710704782
Energy: 1.0317736797511645
Energy: 1.1404399757426529
Energy: 2.2191067042079635
Energy: 1.4229543088942365
Energy: 1.6245219667031359
Energy: 2.2879076733534647
Energy: 1.834831162707288
Energy: 1.6137404708394374
Energy: 2.0843869457782453
Energy: 1.757467815383563
Energy: 1.820783634046039
Energy: 2.213193860121806
Energy: 1.6262055811488716
Energy: 1.7662872739543924
Energy: 2.1015203137117653
Energy: 1.5400016641411305
Energy: 1.5557789811954612
Energy: 1.5172683430053866
Energy: 1.6942227208080218
Energy: 1.6615017081542707
Energy: 3.102850852771132
Energy: 0.4153803295727801
Energy: 0.8319756362023875
Energy: 1.9937276300190159
Energy: 0.4160928320840429
Energy: 0.8335383728449403
Energy: 1.1266507142166655
Energy: 1.3097864030578887
Energy: 1.2910912147984144
Energy: 1.052642083347107
Energy: 1.6335352034633988
Energy: 0.8108122723304775
Energy: 1.9749685484741593
Energy: 2.0425626189928705
Energy: 1.8799584752156924
Energy: 1.3536437206209733
Energy: 2.340475221685221
Energy: 1.8052435821405777
Energy: 1.9413129806799359
Energy: 2.3385526737299407
Energy: 1.8908040333821001
Energy: 1.6441973134783927
Energy: 1.8930156213126743
Energy: 1.799926989865757
Energy: 0.41685969408149687
Energy: 1.3654479297398079
Energy: 1.5699803161197483
Energy: 0.7744509154341025
Energy: 1.5543449564123095
Energy: 1.3604592373302788

minimum gb energy = 0.4145640090958951 eV
minimum distance =  2.24940206233577 Angstroms
sigma value = 11


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

Energy: 1.8879301440628005
Energy: 2.518245570099681
Energy: 2.108789770877934
Energy: 1.8976535262209533
Energy: 3.0894848120355864
Energy: 2.192462339810929
Energy: 2.5640349764124624
Energy: 1.8421439425590331
Energy: 2.0522322344843005
Energy: 2.822135339987712
Energy: 2.135732766162216
Energy: 2.250745783485483
Energy: 1.6730600695085307
Energy: 1.1444934854185556
Energy: 1.2210266177612792
Energy: 1.4680131333026025
Energy: 1.0124558581805718
Energy: 1.308515177985693
Energy: 1.5055058158181005
Energy: 1.9469359835432536
Energy: 1.9921032487797983
Energy: 1.5169972715140785
Energy: 1.967208997031147
Energy: 1.5049762897842764
Energy: 2.16156504537446
Energy: 2.5152142291423747
Energy: 2.3627489500592223
Energy: 2.157949369662406
Energy: 2.7509190288094434
Energy: 2.338369666069728
Energy: 2.704498392015284
Energy: 2.1136160002110267
Energy: 2.1553304650486624
Energy: 2.6295440816653675
Energy: 2.190506669672109
Energy: 2.527071981972293
Energy: 2.1378906345184716
Energy: 2.2800551112157224
Energy: 2.1656588560666825
Energy: 2.0487421251560782
Energy: 2.384852221987142
Energy: 1.613739391279205
Energy: 1.0560321222381133
Energy: 1.328999035137225
Energy: 1.3344975751086512
Energy: 0.9834959218720545
Energy: 1.1397093924516828
Energy: 1.3753662740390207
Energy: 2.214300856102236
Energy: 1.623819203070147
Energy: 1.6977617909019092
Energy: 2.1194917200859376
Energy: 1.6131787274370726
Energy: 1.6989696279968747
Energy: 2.024815461641117
Energy: 2.015297470145363
Energy: 1.9871439767498207
Energy: 1.9512074478487196
Energy: 1.981086402289958
Energy: 2.188762868307363
Energy: 2.5865898978268236
Energy: 2.405913914311579
Energy: 2.528738513829215
Energy: 2.3402585700980043
Energy: 2.356003424864364
Energy: 2.1527309085656965
Energy: 2.1468469577383646
Energy: 2.131263096193196
Energy: 1.9858208314441135
Energy: 2.198054390126905
Energy: 1.9845619148161369
Energy: 1.8532635233613883
Energy: 1.434207572171987
Energy: 1.6109331611198323
Energy: 1.7761300918491751
Energy: 1.3957991665414722
Energy: 1.776582302325029
Energy: 1.6983468570010105
Energy: 1.6055024283833892
Energy: 2.2109868335610976
Energy: 2.0328076608044845
Energy: 1.6644726361882183
Energy: 2.2177933685388953
Energy: 1.4890742383908573
Energy: 1.845716931175106
Energy: 1.7173583124576788
Energy: 1.681497541434572
Energy: 1.83991067455416
Energy: 1.5741166090873322
Energy: 2.0178080237452383
Energy: 2.4120082469064474
Energy: 2.0776203415302565
Energy: 2.0689535261239107
Energy: 2.208433708513021
Energy: 2.2750682232803388
Energy: 2.177954644283711
Energy: 1.601663177061043
Energy: 2.2781690080570747
Energy: 1.9534354442621593
Energy: 1.50518075624076
Energy: 2.279909665405368
Energy: 1.8808631228234838
Energy: 2.3247321531940246
Energy: 1.556421704963405
Energy: 1.6446297678240525
Energy: 2.2117328989933487
Energy: 1.5338026165961693
Energy: 2.063742068035773
Energy: 2.3288209240730464
Energy: 1.5672170001130352
Energy: 1.7256673129816393
Energy: 2.0827579852219427
Energy: 1.405778025964299
Energy: 1.9423724724478197
Energy: 1.507000311230091
Energy: 1.9935926334957947
Energy: 1.7525753194864562
Energy: 1.359246160705082
Energy: 1.9059306409497272
Energy: 1.7627943667374069
Energy: 2.335483460258124
Energy: 2.307273966784037
Energy: 2.2944425860736692
Energy: 2.132363317659259
Energy: 2.4358077512459517
Energy: 2.226881466598052
Energy: 2.207095016659094
Energy: 1.9429925731307476
Energy: 1.846897827566045
Energy: 2.171222140130441
Energy: 1.8448183457352203
Energy: 2.2325881913258314
Energy: 1.6048143232808953
Energy: 2.0759012246637516
Energy: 2.088111279057525
Energy: 1.702321218788138
Energy: 2.3307236455154436
Energy: 1.7264435270111573
Energy: 1.1483167293740715
Energy: 1.520721472756987
Energy: 1.4996478097608716
Energy: 1.0910235828194292
Energy: 1.7030367531125397
Energy: 1.4080303373699805
Energy: 2.0606843596795237
Energy: 1.5776995575440107
Energy: 1.681407263912211
Energy: 1.9747505148171371
Energy: 1.7414964293988864
Energy: 1.7645815679747898
Energy: 2.832113803803617
Energy: 2.5916026490712882
Energy: 2.47593521308366
Energy: 2.8078965327607563
Energy: 2.5540495847886695
Energy: 2.2983658844281543

minimum gb energy = 0.9834959218720545 eV
minimum distance =  2.27085762397534 Angstroms
sigma value = 41


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

Energy: 1.895056291498943
Energy: 2.242942584768396
Energy: 2.2943601810986207
Energy: 1.7042111616115063
Energy: 2.710435535903122
Energy: 1.8196830224267575
Energy: 2.4311719527576265
Energy: 1.7644696667451698
Energy: 1.8131113079144905
Energy: 2.54844520364146
Energy: 1.7678505856595153
Energy: 1.8154361251521234
Energy: 2.0546368833847284
Energy: 1.1889335544721191
Energy: 1.3057639569582251
Energy: 1.6670497350237112
Energy: 1.1329671742136105
Energy: 1.3729052710547063
Energy: 1.4850296167473975
Energy: 2.082335985509698
Energy: 1.907050205089766
Energy: 1.3485376750352727
Energy: 2.198798195866331
Energy: 1.7611484133035546
Energy: 2.1533238097875245
Energy: 2.616774570243763
Energy: 2.5171268423846334
Energy: 2.0355117917307606
Energy: 2.7188473465042673
Energy: 2.2694207182869315
Energy: 3.0915755770407727
Energy: 2.1165872591356854
Energy: 2.0687428069381046
Energy: 2.4440121680738502
Energy: 2.161431096156105
Energy: 2.124831857076002
Energy: 1.9068365357774832
Energy: 2.114862784878652
Energy: 2.077713834196633
Energy: 1.8334483641414203
Energy: 2.3662603411155314
Energy: 1.839333027867039
Energy: 1.0832564527531354
Energy: 1.5033446361377392
Energy: 1.5685490677309661
Energy: 1.2052427094260134
Energy: 1.2834644469184007
Energy: 1.3494985765680627
Energy: 2.313784344931592
Energy: 1.5586513583521842
Energy: 1.7065510673626978
Energy: 2.1010912386931047
Energy: 1.5407660722167096
Energy: 2.258379196782889
Energy: 1.9493145297501353
Energy: 1.8488262700486238
Energy: 1.9773916461652887
Energy: 1.9216783199403096
Energy: 1.748204778027837
Energy: 2.0789701649225187
Energy: 2.072848658854129
Energy: 2.170342453300293
Energy: 2.16470475379843
Energy: 2.039729109418973
Energy: 2.1221310093832066
Energy: 2.080441788878743
Energy: 2.3277066037917264
Energy: 2.1743804739034482
Energy: 2.075106187089817
Energy: 2.3168671102663625
Energy: 2.427956622469719
Energy: 2.0253022029736973
Energy: 1.636046015150383
Energy: 1.962372830994678
Energy: 1.874372146739186
Energy: 1.6794635338662
Energy: 1.9713878270860528
Energy: 1.9382670139522358
Energy: 1.5489896902263371
Energy: 1.9846258193892052
Energy: 1.8807495444159092
Energy: 1.4421296753209139
Energy: 1.9764178050318362
Energy: 1.4377623435977176
Energy: 1.3410083803892603
Energy: 1.4655999242171918
Energy: 1.5316714313451176
Energy: 1.2894749922922346
Energy: 1.3644003931994875
Energy: 1.5600859869044108
Energy: 2.7026544994067674
Energy: 2.0986013910348476
Energy: 2.0028296148194458
Energy: 2.3884061464169384
Energy: 2.0209907895265644
Energy: 2.1879632022534974
Energy: 2.1600802662478302
Energy: 2.6189949335150406
Energy: 2.3474898682595513
Energy: 1.977457444920414
Energy: 2.655427288471104
Energy: 1.9147974885630514
Energy: 2.448934968371204
Energy: 1.6729254883585494
Energy: 2.2028975764683705
Energy: 2.4339844164282947
Energy: 1.8444098288118342
Energy: 2.202135227118212
Energy: 2.0687499000817318
Energy: 1.2943919241833042
Energy: 1.3474666872277703
Energy: 1.9897802465353494
Energy: 1.2203032374785747
Energy: 1.6575133435301797
Energy: 1.2223548953298806
Energy: 1.651247860666476
Energy: 1.5794863053340704
Energy: 1.2735456085089092
Energy: 1.7860107427289564
Energy: 1.2028779637941287
Energy: 2.018662928046532
Energy: 2.104380629102327
Energy: 2.147732747835205
Energy: 2.1429937410712485
Energy: 2.0541112297518227
Energy: 2.1409569632787653
Energy: 2.42413333759447
Energy: 2.1394351656700614
Energy: 2.070714022947664
Energy: 2.6315727040692702
Energy: 2.088505711055834
Energy: 2.1014653557631933
Energy: 1.9697188337616296
Energy: 2.045199885018476
Energy: 1.9954174051598697
Energy: 1.7913535411085455
Energy: 2.1589753621940315
Energy: 1.9913577098570407
Energy: 1.3994963416564885
Energy: 1.547959075900898
Energy: 1.7626712268176619
Energy: 1.2262774973595136
Energy: 1.5039943191262002
Energy: 1.3020388699727987
Energy: 2.093612343668257
Energy: 1.419254973325014
Energy: 1.7415040281008352
Energy: 2.1124699473401787
Energy: 1.4691020095775147
Energy: 1.7776419169507727
Energy: 2.2568351503377255
Energy: 1.5327159658599072
Energy: 1.5736233748475261
Energy: 2.2198288687781638
Energy: 1.5957350911910577
Energy: 1.8499434908626164
Energy: 1.9684934601906792
Energy: 2.3202373452699185
Energy: 2.282942962316892
Energy: 1.866196497205967
Energy: 2.466183316274108
Energy: 2.287920953057599
Energy: 2.3626277896954715
Energy: 2.4045896228931647
Energy: 2.488821347552907
Energy: 2.270711916783721
Energy: 2.4320050353719544
Energy: 2.4759604971623212
Energy: 1.715627400646373
Energy: 1.8338080705758582
Energy: 1.8739455950621091
Energy: 2.040505783292666
Energy: 1.7871317217380656
Energy: 1.7675349356876102
Energy: 1.19484881026637
Energy: 2.024038743569488
Energy: 1.9389505134554452
Energy: 1.3354785267119562
Energy: 1.9191883936807546
Energy: 1.4828525941378385
Energy: 1.3095593552016906
Energy: 1.5231158462527619
Energy: 1.5127245530404554
Energy: 1.3844768451489498
Energy: 1.419736049315481
Energy: 1.533554519453116
Energy: 2.207262864795775
Energy: 2.1706508684785155
Energy: 1.9324797555404687
Energy: 2.1660980270842645
Energy: 2.277133188158313
Energy: 2.1075867645617423
Energy: 2.2360471483955013
Energy: 2.5358102013525485
Energy: 2.3921592204404147
Energy: 2.2775306060018776
Energy: 2.497856138939209
Energy: 2.447254257973464

minimum gb energy = 1.0832564527531354 eV
minimum distance =  2.29041665375171 Angstroms
sigma value = 33


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

Energy: 1.6407945444349754
Energy: 1.9261607372016452
Energy: 1.9627204150064932
Energy: 1.6246348679742855
Energy: 3.203932184662838
Energy: 2.269930251042779
Energy: 2.1584513060190615
Energy: 1.756197734329271
Energy: 1.830097858101839
Energy: 2.4490148166822294
Energy: 1.6999554139902622
Energy: 1.992269149564395
Energy: 1.8611796741649484
Energy: 1.3414825726243413
Energy: 1.5497282958988174
Energy: 1.6538806171777325
Energy: 1.308258435919856
Energy: 1.4120622810875356
Energy: 1.4876903168806552
Energy: 2.2137918409685597
Energy: 2.408819653628461
Energy: 1.4607255703449344
Energy: 2.092444422030616
Energy: 1.3816155581397922
Energy: 1.7172310705874527
Energy: 2.3186922032373847
Energy: 2.2318476960677534
Energy: 1.6930094937392983
Energy: 2.475788549721866
Energy: 2.2669442519226415
Energy: 3.061216200526644
Energy: 1.9786385900380927
Energy: 1.8338638870822312
Energy: 2.871660135048849
Energy: 2.1780656912553984
Energy: 1.8411363881061795
Energy: 2.0067838410511323
Energy: 2.56006055948733
Energy: 2.344575926335169
Energy: 2.0809130479491285
Energy: 2.1513009081093983
Energy: 2.3021054771969873
Energy: 1.2934676993003913
Energy: 1.7979043133805417
Energy: 1.4940444199561285
Energy: 1.325125123172342
Energy: 1.6530283709810074
Energy: 1.4205317101392312
Energy: 2.137634073075549
Energy: 1.3482151203661765
Energy: 1.6623673319825465
Energy: 2.13155228394691
Energy: 1.3281895307097753
Energy: 1.7647422092102323
Energy: 1.8788851700598976
Energy: 1.5869856123539219
Energy: 1.7576601691749396
Energy: 1.9217211884481664
Energy: 1.4979825486899658
Energy: 1.8118296279371766
Energy: 2.2797682135980692
Energy: 2.2353783586841964
Energy: 2.0209415924288088
Energy: 2.1697041215312503
Energy: 2.4695969881552085
Energy: 2.0838083910442844
Energy: 2.4589243113501444
Energy: 2.433979768847683
Energy: 2.4192222453659586
Energy: 2.6454810311485932
Energy: 2.5259808570880486
Energy: 2.014429658593839
Energy: 2.1499525243330244
Energy: 2.3203459054809072
Energy: 2.290089212427262
Energy: 2.1388395953097152
Energy: 2.2916319753635976
Energy: 2.159515446320622
Energy: 1.4819026256489671
Energy: 2.0005093992199874
Energy: 2.06344799070816
Energy: 1.4841118129550919
Energy: 2.2995530520554563
Energy: 1.91431076358502
Energy: 1.3704790543959895
Energy: 1.3146320222473298
Energy: 1.3086522250672143
Energy: 1.4320961279984663
Energy: 1.297986602636902
Energy: 1.4654269217420262
Energy: 2.668781817363657
Energy: 1.8166238501623613
Energy: 1.6885679222969052
Energy: 2.137544802680721
Energy: 1.6766599947943976
Energy: 2.062131616426533
Energy: 2.042615981371898
Energy: 2.4096586123973123
Energy: 2.067321627759648
Energy: 1.8137504774555397
Energy: 2.585960418904472
Energy: 1.8117650717548384
Energy: 2.494395351064294
Energy: 2.6174774752602437
Energy: 2.327389137700401
Energy: 2.372083490012234
Energy: 2.197600449756371
Energy: 2.1321110659629317
Energy: 2.7636465050979555
Energy: 1.75010437669397
Energy: 1.7585159518107571
Energy: 2.3766698482049518
Energy: 1.858424710998773
Energy: 1.6802945176401574
Energy: 1.6551594407803436
Energy: 1.695162092651425
Energy: 1.9353955564520378
Energy: 1.3361696464841462
Energy: 1.6829416017039487
Energy: 1.4477203359919917
Energy: 1.412494867628758
Energy: 2.0213856396748935
Energy: 2.1430235106132276
Energy: 1.4545286517740463
Energy: 2.082662403749604
Energy: 1.8176000648102844
Energy: 1.5437269532102977
Energy: 1.911552170691462
Energy: 1.820132349112844
Energy: 1.5398831640869801
Energy: 1.763052672969763
Energy: 1.786892960066231
Energy: 2.4359493250906303
Energy: 2.091467379543924
Energy: 2.1449120919967335
Energy: 2.4231594734617947
Energy: 2.051835393558538
Energy: 2.1849330865773933
Energy: 1.7671900975653763
Energy: 2.3915614575585082
Energy: 2.0489137729042475
Energy: 2.242631327728711
Energy: 2.229293347889289
Energy: 2.2473253153766213
Energy: 2.040300366742375
Energy: 2.01200939124233
Energy: 2.4122623520658695
Energy: 2.2407282964245083
Energy: 2.1080593003648054
Energy: 2.165784767029563
Energy: 1.983791739422912
Energy: 1.3429764391151322
Energy: 1.4021468516427047
Energy: 1.8114009524591754
Energy: 1.2727392876463142
Energy: 1.48867586099122
Energy: 1.440034647821595
Energy: 1.8249615926065526
Energy: 1.6010305660133286
Energy: 1.358417233114831
Energy: 2.0062798321487882
Energy: 1.6651911374481494
Energy: 1.6809094493548655
Energy: 2.305355635052708
Energy: 2.317456124201749
Energy: 1.9990032129764426
Energy: 2.6285556296351524
Energy: 1.7436990616062258
Energy: 2.684455083267137
Energy: 1.9551251239559535
Energy: 1.7936895320554385
Energy: 2.555300920136936
Energy: 1.8275386379030347
Energy: 1.8248092511708613
Energy: 2.2422915184131416
Energy: 2.7118839395097565
Energy: 2.4093557196060065
Energy: 2.272146952764917
Energy: 2.0923373631002264
Energy: 1.9854284908658606
Energy: 1.400426858794914
Energy: 1.91287613919448
Energy: 1.5924694425136559
Energy: 1.2975354596845765
Energy: 2.0085366724735256
Energy: 1.4079271837491119
Energy: 2.150017316704427
Energy: 1.4287375573098582
Energy: 1.443856970217537
Energy: 2.1080372240305527
Energy: 1.2789891563988713
Energy: 1.7577573337940802
Energy: 2.1601851794891784
Energy: 1.5230564547866874
Energy: 1.5944622707975342
Energy: 1.8730181593518402
Energy: 1.5078026288412343
Energy: 2.022407854843905
Energy: 2.075877407018249
Energy: 2.0378251869546284
Energy: 1.7975974593669797
Energy: 2.074908810231119
Energy: 2.270082325417063
Energy: 1.9308351640030863
Energy: 2.1784798409829524
Energy: 2.5590978318497615
Energy: 2.4956064293354614
Energy: 2.500885020193326
Energy: 2.867561028264334
Energy: 2.311720362360549
Energy: 2.128654600643691
Energy: 2.264765978442628
Energy: 2.1652002374817676
Energy: 2.240999067211315
Energy: 2.2071442013857783
Energy: 2.1048394852216754
Energy: 1.5574829332510491
Energy: 1.940093035361879
Energy: 2.1181066973718745
Energy: 1.649513836739994
Energy: 2.092703769429414
Energy: 1.9542315664287957
Energy: 1.1849323955835773
Energy: 1.4241508976926731
Energy: 1.3898898613761455
Energy: 1.1552893071240586
Energy: 1.307582000851138
Energy: 1.4066629234673196
Energy: 2.428866191767078
Energy: 1.6986572587254662
Energy: 1.7327558661936482
Energy: 1.969046173914078
Energy: 1.7411384146880906
Energy: 1.769459157044698
Energy: 2.2986451959412393
Energy: 2.070022208969243
Energy: 2.082171601118684
Energy: 2.1948524010780943
Energy: 2.0085540942944777
Energy: 2.0311016082250197
Energy: 2.2980451722010717
Energy: 2.453033637774013
Energy: 2.200281252851681
Energy: 2.251947634359952
Energy: 2.67300073329951
Energy: 2.19238026624946
Energy: 2.420730850147233
Energy: 1.9203579248328264
Energy: 1.716021095663262
Energy: 2.246398483469837
Energy: 1.835696385738436
Energy: 1.850993454637136
Energy: 1.7452643555622815
Energy: 1.5080829189773757
Energy: 1.4793307699325626
Energy: 1.8260068988552633
Energy: 1.5659505897793384
Energy: 1.4697065204894229
Energy: 1.464686434601137
Energy: 2.0323854773555734
Energy: 1.7433053010184338
Energy: 1.4477361427377313
Energy: 1.9537515315075251
Energy: 1.6947175512653865
Energy: 1.5006799488594702
Energy: 1.7965728278143245
Energy: 1.8436868961295714
Energy: 1.4859513215043576
Energy: 1.691051141069214
Energy: 1.6365850293815483
Energy: 2.5226021920301527
Energy: 2.0606734224080046
Energy: 2.3200509494690333
Energy: 2.163689733408565
Energy: 1.9265394255248536
Energy: 2.395991278516849
Energy: 2.523315880973082
Energy: 2.409344086481253
Energy: 2.067143157786834
Energy: 2.2949633940857685
Energy: 2.5034237546906026
Energy: 2.133174687620413

minimum gb energy = 1.1552893071240586 eV
minimum distance =  2.22164482948028 Angstroms
sigma value = 67


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

Energy: 1.460849396352957
Energy: 1.5477321372356403
Energy: 1.632951868010712
Energy: 1.4494653459814901
Energy: 2.6477804945537278
Energy: 1.610913727516413
Energy: 2.143726043344498
Energy: 1.3638455270685887
Energy: 1.4400538194501433
Energy: 2.228023893037117
Energy: 1.2775166112827745
Energy: 1.666648857410422
Energy: 1.8816865557872526
Energy: 1.4829885911515892
Energy: 1.7532963926712963
Energy: 1.8384747027026804
Energy: 1.371910944523376
Energy: 1.5571379953091518
Energy: 1.3997423759768006
Energy: 2.0614773308558174
Energy: 1.9687512239997067
Energy: 1.6566940307981097
Energy: 2.140901999325284
Energy: 1.9766260112874283
Energy: 1.6998831231917246
Energy: 2.1923556334838747
Energy: 2.1727714510321077
Energy: 1.7226694038267927
Energy: 2.5624812411121907
Energy: 2.3230523180250313
Energy: 2.0210188083926077
Energy: 1.8863759991553966
Energy: 2.0272337531637348
Energy: 2.097628529099065
Energy: 1.8856955336453767
Energy: 2.1467710438109187
Energy: 1.8904739644154662
Energy: 2.0459626791545387
Energy: 2.439253042643515
Energy: 1.873139432529074
Energy: 2.010007402856873
Energy: 2.5201212332117096

minimum gb energy = 1.2775166112827745 eV
minimum distance =  2.22691082541332 Angstroms
sigma value = 3


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

Energy: 2.1468693312571965
Energy: 2.377438146901835
Energy: 2.0756068751595422
Energy: 2.179781069384232
Energy: 2.452212810297707
Energy: 2.156175429144563
Energy: 2.3538074965003384
Energy: 2.3101983230065097
Energy: 2.312517530458633
Energy: 2.4024891708824367
Energy: 2.3993926044701706
Energy: 2.110553274461427
Energy: 2.1782584914678944
Energy: 1.9370196675532814
Energy: 2.0132910709511505
Energy: 2.1615593850675476
Energy: 1.8662088835851618
Energy: 2.0406166465388007
Energy: 1.5573667583951982
Energy: 2.157119013558804
Energy: 1.9039369778260826
Energy: 1.569248169384795
Energy: 2.0006044568173236
Energy: 1.7003635884284898
Energy: 1.561532374326557
Energy: 2.1001134286762744
Energy: 2.0187396800669246
Energy: 1.5652835664327018
Energy: 2.0608860006659
Energy: 1.5736795768988892
Energy: 2.146318261243246
Energy: 1.713481574831286
Energy: 1.875438173223745
Energy: 2.1207094692186508
Energy: 1.758656394012673
Energy: 1.8168270972754788
Energy: 2.3096262904302005
Energy: 1.9404596790846298
Energy: 1.996726924829677
Energy: 2.2466296961434686
Energy: 1.8690952955246198
Energy: 1.9659405848116844
Energy: 2.098204708740124
Energy: 2.228829824977096
Energy: 1.8819294530148498
Energy: 2.08594385514843
Energy: 2.037814468844126
Energy: 1.9558553097799365
Energy: 2.350289076202491
Energy: 2.2978036728932145
Energy: 2.166086542784427
Energy: 2.3719522251938265
Energy: 2.5457551152875153
Energy: 2.2524368616012342
Energy: 2.5809626347406653
Energy: 2.1169826905553393
Energy: 2.0617946194395684
Energy: 2.549627095987155
Energy: 2.085645240917984
Energy: 2.4837453441688355
Energy: 2.2322914528464994
Energy: 2.2126424535143085
Energy: 2.163441474116986
Energy: 2.225382922769276
Energy: 2.240425479250502
Energy: 2.0568218322949816
Energy: 1.7834976790848134
Energy: 2.17103667287188
Energy: 2.1063987907426314
Energy: 1.7236817621293934
Energy: 1.875700105223329
Energy: 1.9037931357727018
Energy: 1.9124148097796554
Energy: 1.5581419372482703
Energy: 1.5728185950359754
Energy: 1.8863837087282072
Energy: 1.5449433610598118
Energy: 1.8162802102611848
Energy: 2.0460566941838927
Energy: 1.460202587637247
Energy: 1.4834079031395826
Energy: 2.1118129336753855
Energy: 1.4438856937745144
Energy: 1.5561125960825068
Energy: 1.895125949888381
Energy: 1.7086144073667573
Energy: 1.7787028125148743
Energy: 1.7777029033115512
Energy: 1.6744158623062597
Energy: 1.7415414369217532
Energy: 2.155083015137732
Energy: 2.4350158910088866
Energy: 1.9623393630611214
Energy: 2.0619489036430245
Energy: 2.450603307402811
Energy: 2.204784061613319
Energy: 2.5544306538946446
Energy: 2.1961977659013434
Energy: 2.1172020691405145
Energy: 2.4300491312150037
Energy: 2.184202529915438
Energy: 2.317512949060401
Energy: 2.322606911481304
Energy: 2.161412820125525
Energy: 2.1413937924922184
Energy: 2.7450954597529624
Energy: 2.3474369523746854
Energy: 2.464650748258211
Energy: 2.2413069282590024
Energy: 2.1808829345855467
Energy: 2.097916807136518
Energy: 2.0227252445475625
Energy: 2.2737946856576494
Energy: 1.885602030207
Energy: 2.166901662912379
Energy: 1.9164753151533613
Energy: 1.7616961085884753
Energy: 2.091186009705829
Energy: 1.6159272510116633
Energy: 1.8673834012580477
Energy: 2.2638735342422582
Energy: 1.506992165289722
Energy: 1.6129263957618627
Energy: 2.100724029168242
Energy: 1.5611924282272445
Energy: 1.7018337028769692
Energy: 1.6250383413004632
Energy: 1.8345821404947804
Energy: 1.7117439044223215
Energy: 1.6462163179417912
Energy: 1.8217879895744349
Energy: 1.6356761591532993
Energy: 1.6041245160251805
Energy: 2.0217339515408215
Energy: 2.0546815872189437
Energy: 1.6865094618669803
Energy: 2.271932789044099
Energy: 1.6857466919398474
Energy: 1.899557557793985
Energy: 1.9051222644706736
Energy: 1.9585594809699796
Energy: 1.666395815865563
Energy: 1.9712840095318365
Energy: 1.903656481583552
Energy: 2.268526822212229
Energy: 2.22936342996219
Energy: 2.308223962214333
Energy: 2.3283446068948646
Energy: 2.234078118470941
Energy: 2.169358813764726
Energy: 2.251596272174876
Energy: 2.7545946426674566
Energy: 2.5274832869714987
Energy: 2.30717662650316
Energy: 2.184076715777339
Energy: 2.1938817887917774
Energy: 2.642683690793423
Energy: 2.3580489572734264
Energy: 2.2802665726833724
Energy: 2.4420647543068825
Energy: 1.9276379446834562
Energy: 2.3798560196050613
Energy: 2.2587799117758816
Energy: 1.845922412613476
Energy: 2.016662292168325
Energy: 2.205838345550561
Energy: 1.9648671035997702
Energy: 1.9634642913941656
Energy: 1.5630388754917266
Energy: 1.900160613637254
Energy: 1.8394765094764818
Energy: 1.4210823597092095
Energy: 1.8131505322767092
Energy: 1.6954663362858517
Energy: 1.4991717960174384
Energy: 2.268592868280086
Energy: 1.7363871319900055
Energy: 1.5417484426242292
Energy: 2.1424813828170644
Energy: 1.6587064972522128
Energy: 1.5900584549867267
Energy: 1.6753568091808186
Energy: 1.6738303043428713
Energy: 1.56590483296689
Energy: 1.6724984628314863
Energy: 1.661288518538967
Energy: 2.1940845750580977
Energy: 1.7564775296855653
Energy: 1.845451764771853
Energy: 2.2009816697884284
Energy: 1.6745443978098848
Energy: 1.7090920292292988
Energy: 2.2238757318029623
Energy: 1.8532716446234605
Energy: 2.30170108781737
Energy: 2.117192061147629
Energy: 2.0139866322597175
Energy: 2.073126589052114
Energy: 2.390071539991495
Energy: 2.1984625994418683
Energy: 2.3594730916282574
Energy: 2.392977036317862
Energy: 2.1748375642801374
Energy: 2.1499902681235814
Energy: 2.522789338238319
Energy: 2.170673502678137
Energy: 2.253582764946835
Energy: 2.6306558070237567
Energy: 2.298190017978355
Energy: 2.2603727577701282
Energy: 1.9868630620141996
Energy: 2.1938470290018124
Energy: 2.0399534225790674
Energy: 2.313785693466598
Energy: 2.1290796398298837
Energy: 2.4732863797966225
Energy: 1.8192732061458796
Energy: 2.2161224998404387
Energy: 2.007107582829773
Energy: 1.7957792977660525
Energy: 2.270175701841856
Energy: 1.9198889905124548
Energy: 1.8317411944514488
Energy: 1.7560235731297744
Energy: 1.6299028982772263
Energy: 1.7838808961225974
Energy: 1.7040539202956977
Energy: 1.6730544988659841
Energy: 2.1891795265521243
Energy: 1.497711029838727
Energy: 1.565259457218253
Energy: 2.094449434503693
Energy: 1.4099395504820873
Energy: 1.8162463573417789
Energy: 1.9837099083302923
Energy: 1.579282257187067
Energy: 1.6423536523874636
Energy: 1.9681967788643953
Energy: 1.4804267916639147
Energy: 1.8136220266970695
Energy: 2.041151486506735
Energy: 2.4039100529139907
Energy: 2.2765001179830966
Energy: 2.0109909930286536
Energy: 2.058045164751707
Energy: 2.2023971649851313
Energy: 2.4882581731552573
Energy: 2.494508854640317
Energy: 2.563546929488172
Energy: 2.32474855079761
Energy: 2.438526084112211
Energy: 2.195789672716531
Energy: 2.1915572683088627
Energy: 2.269785895190054
Energy: 2.203264840723229
Energy: 2.3278024841756397
Energy: 2.2281938251491455
Energy: 2.4930507118227516
Energy: 2.3485679215794257
Energy: 2.2543316024083375
Energy: 2.3410680224259264
Energy: 2.3097050019822642
Energy: 2.418764303564117
Energy: 2.205111023444254
Energy: 1.9625519884949412
Energy: 1.8500711380417805
Energy: 1.8125923255423073
Energy: 1.9881366879606475
Energy: 1.8652834655571897
Energy: 1.8908494182849958
Energy: 2.1906568384013005
Energy: 1.5924905936103368
Energy: 1.5474399240723549
Energy: 2.1999978311052932
Energy: 1.734177207534254
Energy: 1.6775375491373552
Energy: 2.038472914926448
Energy: 1.8210184669267073
Energy: 1.811308313193672
Energy: 1.7410592705809438
Energy: 1.6463805665634828
Energy: 1.7631522346260562
Energy: 1.6397578406820459
Energy: 2.1696715589306454
Energy: 2.0389813557183962
Energy: 1.5391460412270443
Energy: 2.119550823944549
Energy: 1.693984925105337
Energy: 1.812682447637239
Energy: 2.2676023797160045
Energy: 2.0773009973319785
Energy: 1.667715594795739
Energy: 2.123322906091803
Energy: 1.9156374196269692
Energy: 2.3846159920495653
Energy: 1.9329454948766593
Energy: 2.012265923337044
Energy: 2.404024163681347
Energy: 1.9056130622578533
Energy: 2.2700482935103854
Energy: 2.3505250099264527
Energy: 2.2271960565341824
Energy: 2.2455594360053928
Energy: 2.4020332093693715
Energy: 2.373021481939964
Energy: 2.517691601972498

minimum gb energy = 1.4099395504820873 eV
minimum distance =  2.1609395438962 Angstroms
sigma value = 81


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

Energy: 2.207804175346487
Energy: 1.7729143645913443
Energy: 1.850527895267292
Energy: 1.8789226681008688
Energy: 2.2428107144437375
Energy: 2.0427034535846516
Energy: 2.2616828628258308
Energy: 1.7852102037081883
Energy: 1.9033051802756236
Energy: 2.3013381731703664
Energy: 1.8096001833581612
Energy: 1.95549278572742
Energy: 2.057319135711511
Energy: 1.8000872207832326
Energy: 1.8540146880564348
Energy: 2.2639576064780282
Energy: 1.6547315177354376
Energy: 1.9972900013538235
Energy: 1.6136576700592233
Energy: 2.09590027614442
Energy: 2.409719546402866
Energy: 1.7630754453507838
Energy: 2.113882284857563
Energy: 1.8069203038719448
Energy: 1.621904140454505
Energy: 1.8562361791647681
Energy: 1.8393111421730675
Energy: 1.6345274385738855
Energy: 2.0122827303137782
Energy: 1.8542068318754497
Energy: 2.2561373574069625
Energy: 1.8669090251159492
Energy: 1.9431084554684301
Energy: 2.1597411944733667
Energy: 1.8902619497942863
Energy: 2.0036533086191994
Energy: 2.6379248641403272
Energy: 2.0251199616237368
Energy: 1.8404977536308287
Energy: 2.5311376779309764
Energy: 2.093247998405291
Energy: 2.1419039494385315
Energy: 1.9852814748662475
Energy: 2.432483895749202
Energy: 2.3827608272469543
Energy: 1.8902837718647223
Energy: 2.26225066915812
Energy: 1.705313655612355
Energy: 2.4646189400651486
Energy: 2.3251538159479916
Energy: 2.2865644061172974
Energy: 2.4764691739967795
Energy: 2.3967023455228587
Energy: 2.4048680375268146
Energy: 2.10905799248023
Energy: 1.9219973112440036
Energy: 1.9038468069962637
Energy: 2.1722596431102903
Energy: 1.9770400163423711
Energy: 1.915801620932936
Energy: 1.8179509990288365
Energy: 2.059150670991717
Energy: 1.9402416969648768
Energy: 1.8406784794951985
Energy: 2.0180158512678554
Energy: 1.738561191959917
Energy: 1.8967409232007821
Energy: 2.26189971579522
Energy: 2.224867630950787
Energy: 1.885404732428442
Energy: 2.1706245182780286
Energy: 2.0233271366738785
Energy: 1.9963769776529448
Energy: 1.8989748576561807
Energy: 1.9503879946992215
Energy: 2.011514004001987
Energy: 1.9203505365684255
Energy: 2.0403552623603622
Energy: 2.1462581692804203
Energy: 1.725635776338402
Energy: 1.726924113236758
Energy: 1.9962346713804302
Energy: 1.8316176716554202
Energy: 1.7184240995662132
Energy: 2.0653315641728276
Energy: 1.8969107243032097
Energy: 2.033718243060093
Energy: 1.947729666596605
Energy: 1.801710663904125
Energy: 1.964282173933817
Energy: 2.0988140110682028
Energy: 2.04774510790743
Energy: 2.2400988396043346
Energy: 2.4363749035708646
Energy: 2.3559689307448126
Energy: 2.2596309805635117
Energy: 2.22164857007054
Energy: 2.3078281163390706
Energy: 2.1264257349154163
Energy: 2.258171742605197
Energy: 2.173015260781846
Energy: 2.0595763833663754
Energy: 2.6827170954397097
Energy: 2.4643433855238466
Energy: 2.292679784569139
Energy: 2.3744647443690075
Energy: 2.6862922813710464
Energy: 2.304841023501133
Energy: 1.9537451948603461
Energy: 2.2835091076656338
Energy: 2.048602577311244
Energy: 1.9638180460843724
Energy: 2.2925280519968596
Energy: 1.90021005701936
Energy: 2.012563964238347
Energy: 1.894645330580368
Energy: 1.7439802329388872
Energy: 2.1011601524159955
Energy: 1.83370171752693
Energy: 1.821354695714251
Energy: 2.5478301551956766
Energy: 2.009877121639694
Energy: 2.0202152188572953
Energy: 2.3712183189615863
Energy: 2.1606670561688497
Energy: 2.2469949689962436
Energy: 1.8636360461868153
Energy: 1.985580694250409
Energy: 1.9933808203121817
Energy: 1.8437798741977052
Energy: 1.6222739468601883
Energy: 1.8279246251174668
Energy: 1.7627502387077845
Energy: 2.1871586364081774
Energy: 1.9097143903804414
Energy: 1.7776910440339588
Energy: 2.313454767234268
Energy: 1.8166965443757674
Energy: 1.6188677300365417
Energy: 1.9512183050518308
Energy: 1.9904509002126602
Energy: 1.6361567701543864
Energy: 2.031727862456188
Energy: 1.9030218477782384
Energy: 2.2330462243099456
Energy: 2.2095851173533676
Energy: 1.9370418312068634
Energy: 2.145083695895097
Energy: 1.9506883334267477
Energy: 2.1327154803577053
Energy: 2.352273565696277
Energy: 2.4657813099395964
Energy: 2.6282526055268938
Energy: 2.271041114436361
Energy: 1.887507392705001
Energy: 2.7342020374272358
Energy: 2.098412975628787
Energy: 2.7411178835066337
Energy: 2.6345722480311253
Energy: 2.1160042802305576
Energy: 2.1512255977844204
Energy: 2.440380925373095
Energy: 2.0135091690368125
Energy: 2.004656856326219
Energy: 1.86334903160094
Energy: 1.9760109172480982
Energy: 2.117446439123503
Energy: 2.248032472959393
Energy: 1.9882246251258517
Energy: 1.8282233185422148
Energy: 1.7830130097730148
Energy: 1.8959868105700877
Energy: 2.032141069334306
Energy: 1.9257551715482695
Energy: 2.164666317689167
Energy: 2.143353887608265
Energy: 1.8867710207733797
Energy: 1.7557956496205978
Energy: 2.425106354295834
Energy: 1.9550899907940877
Energy: 1.7207282514319955
Energy: 1.911000754265554
Energy: 1.9228685941286079
Energy: 1.6333725080922412
Energy: 1.8527955536912832
Energy: 1.7634100860428235
Energy: 2.500556374051027
Energy: 1.8772719847862762
Energy: 1.671294931778072
Energy: 2.3535959239129975
Energy: 1.6472899508031353
Energy: 2.0684988975633027
Energy: 2.0860036640024053
Energy: 1.6352432607357703
Energy: 1.703168056457928
Energy: 2.2319917234143163
Energy: 1.5576844726674894
Energy: 1.8687317841268496
Energy: 2.013775803563273
Energy: 2.025339534893391
Energy: 2.1394008469397146
Energy: 2.115210715290062
Energy: 2.0849243666378547
Energy: 1.7495661968306226
Energy: 2.5561061966234018
Energy: 2.58205907700987
Energy: 2.734323240101785
Energy: 2.401022204080662
Energy: 2.5309357511517745
Energy: 2.4477291058204904
Energy: 2.5749473785428747
Energy: 2.0808264907289464
Energy: 2.1097293088295235
Energy: 2.6133028007347954
Energy: 2.0238948840940694
Energy: 2.684383570487125
Energy: 2.445669705900437
Energy: 2.4030058012457554
Energy: 2.326772467042522
Energy: 2.3946282916415167
Energy: 2.0891766952411275
Energy: 2.3292065428368027
Energy: 2.104461278051019
Energy: 1.8161029735821244
Energy: 1.9179147246664205
Energy: 2.0523817816869956
Energy: 1.7788295803813083
Energy: 2.0597143053927294

minimum gb energy = 1.5576844726674894 eV
minimum distance =  2.18270228894105 Angstroms
sigma value = 43


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

Energy: 2.157241248813617
Energy: 2.379702892563379
Energy: 2.0694442061617395
Energy: 2.062029516676532
Energy: 2.481769392427419
Energy: 1.9265215694239266
Energy: 2.382543556362575
Energy: 2.192567151619698
Energy: 2.244657840688191
Energy: 2.3311242042311933
Energy: 2.1815429426235404
Energy: 2.2256079262756647
Energy: 1.8975187890458536
Energy: 1.8829277468118188
Energy: 1.945943489977297
Energy: 1.9070059888091215
Energy: 1.9233743690130012
Energy: 1.8981236976549636
Energy: 1.5083396646483824
Energy: 1.9381681796811572
Energy: 1.8800980285261477
Energy: 1.5576461445121759
Energy: 2.0274016130963117
Energy: 1.6076448679370445
Energy: 1.6022185696744693
Energy: 2.0041651213290397
Energy: 1.8110474658701068
Energy: 1.577805003248243
Energy: 1.9446499129595622
Energy: 1.6190718291222044
Energy: 1.9708806318872212
Energy: 1.5834333371896663
Energy: 1.792336703717885
Energy: 1.944323649421561
Energy: 1.5668747208351554
Energy: 1.8701780965269599
Energy: 2.19200124409128
Energy: 1.56045041160322
Energy: 1.5264188101212175
Energy: 2.0176649368035435
Energy: 1.6718094187323198
Energy: 1.6932749454120146
Energy: 1.9183323544514939
Energy: 1.7704589343497228
Energy: 1.7928657477320222
Energy: 1.8480814197137836
Energy: 1.6527864008562285
Energy: 1.8174753805495065
Energy: 2.2007031163843602
Energy: 2.205017783872829
Energy: 2.1409280171815053
Energy: 2.0278315841145
Energy: 2.3439989062060764
Energy: 2.1227004851940503
Energy: 2.397248187001014
Energy: 2.194269984371339
Energy: 2.0634043639644717
Energy: 2.5110269447414373
Energy: 2.200931968885379
Energy: 2.0769256976946306
Energy: 2.3957094929356737
Energy: 2.2888395983320597
Energy: 2.48177736995925
Energy: 2.5729694263266083
Energy: 2.3009729312456915
Energy: 2.3102122012583104
Energy: 2.1962921923993486
Energy: 2.048785365739263
Energy: 2.1472226149971445
Energy: 2.0825396268014127
Energy: 2.105899284759251
Energy: 2.0218588449329875
Energy: 2.0506732655455044
Energy: 1.8774378924346227
Energy: 1.858682986955782
Energy: 1.9668785697662314
Energy: 1.5524115553216227
Energy: 1.9369860067304607
Energy: 2.195393699286793
Energy: 1.6253814973771648
Energy: 1.6502150389998
Energy: 2.144643961565337
Energy: 1.724421314389755
Energy: 1.8164510290581377
Energy: 1.7077970378501606
Energy: 1.708816437096995
Energy: 1.7324339725399105
Energy: 1.5483549724884984
Energy: 1.7595252105088603
Energy: 1.6704689982933472
Energy: 1.5950379271076527
Energy: 2.0075683845219685
Energy: 1.9348426946281085
Energy: 1.5981015186102172
Energy: 2.0733357288136074
Energy: 1.6408694520943632
Energy: 1.5608388242173314
Energy: 1.887886436129233
Energy: 1.7720188343841332
Energy: 1.450243279399234
Energy: 1.9440749792189609
Energy: 1.6531308484460687
Energy: 2.291966159142461
Energy: 1.8101900815775749
Energy: 1.8907072792482449
Energy: 2.048666384114777
Energy: 2.002422872418708
Energy: 1.9610668324646545
Energy: 2.259412167607191
Energy: 2.215531422458822
Energy: 1.859817982015023
Energy: 2.13537083967725
Energy: 1.800084646197747
Energy: 2.067003439450121
Energy: 2.032075997929552
Energy: 2.4111096866616877
Energy: 2.3741077002143696
Energy: 2.0533828956325473
Energy: 2.192571327222764
Energy: 2.212621456913368
Energy: 2.2151319019155697
Energy: 2.0946072723671763
Energy: 2.2868720390699546
Energy: 2.2084673496611886
Energy: 1.8503122735328883
Energy: 2.1321492993194413
Energy: 2.1465060672782386
Energy: 1.9171151458893643
Energy: 1.8883337750151696
Energy: 1.9725076929564689
Energy: 2.0438519572662917
Energy: 1.8032159341387926
Energy: 1.858045193789239
Energy: 2.1289430983572015
Energy: 1.9551678671206287
Energy: 2.0153161692523294
Energy: 2.0106166691759952
Energy: 1.8728717218523887
Energy: 1.9349682053232728
Energy: 1.7640370219417327
Energy: 1.736925314055555
Energy: 1.8013520803819882
Energy: 1.7920777081254209
Energy: 1.7868345638799867
Energy: 2.0466733727672843
Energy: 1.6171640204629465
Energy: 1.5586488566687817
Energy: 2.046459075626703
Energy: 1.4977647096778373
Energy: 1.7748408712225003
Energy: 2.123871082943197
Energy: 1.5463382298842796
Energy: 1.7375593399755127
Energy: 1.9542583375867038
Energy: 1.512412652334536
Energy: 1.7137851337992276
Energy: 1.6158580486116878
Energy: 2.041964101300397
Energy: 1.9226035803723764
Energy: 1.6969404102560868
Energy: 2.01198148997512
Energy: 1.8523774080829198
Energy: 1.9539545409624546
Energy: 2.018864183492107
Energy: 1.828408252754886
Energy: 1.772125927788418
Energy: 1.994197109145166
Energy: 1.6890815845299918
Energy: 2.0937647650417506
Energy: 1.9469540149417905
Energy: 1.9329601540519066
Energy: 1.9162461861330773
Energy: 2.052461739371614
Energy: 1.8321354696934675
Energy: 2.286186771657375
Energy: 2.3759325747497027
Energy: 2.2766039816707
Energy: 2.3020700018283287
Energy: 2.117236612926237
Energy: 2.2737540107086684
Energy: 1.998060289332447
Energy: 2.2711002112549568
Energy: 2.1576026763846037
Energy: 2.1083505376732647
Energy: 2.236790156824261
Energy: 2.1847710342491804

minimum gb energy = 1.450243279399234 eV
minimum distance =  2.19781562976359 Angstroms
sigma value = 57


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

Energy: 2.1121157928512035
Energy: 1.880511145940897
Energy: 1.9498556874006714
Energy: 2.1235995927268285
Energy: 2.3606950825903477
Energy: 1.874671301870404
Energy: 2.278238061990801
Energy: 1.653753617498849
Energy: 1.6558313755860048
Energy: 2.1034659361989525
Energy: 1.9749005651894582
Energy: 1.4928374440957481
Energy: 1.790293015555798
Energy: 1.84455966284549
Energy: 1.800002821217505
Energy: 2.001081005231257
Energy: 1.7963401275405406
Energy: 1.7758010340632076
Energy: 1.5928871055697789
Energy: 1.7559103217872043
Energy: 1.7191172218399924
Energy: 1.5156337304080774
Energy: 1.9445741165204242
Energy: 1.6931704288829403
Energy: 1.618611688067693
Energy: 1.79651157199173
Energy: 1.623263723041804
Energy: 1.649679458694206
Energy: 1.948653481598588
Energy: 1.7667762812157086
Energy: 1.9735567704041348
Energy: 1.704580840711239
Energy: 1.7844695607125916
Energy: 1.9867458202596928
Energy: 1.6981630323547137
Energy: 2.0255199368228545
Energy: 2.3176214319918973
Energy: 1.5990478522955414
Energy: 1.5168469576593315
Energy: 2.03533818650806
Energy: 1.702448503089175
Energy: 1.6185704339820999
Energy: 2.132847390339937
Energy: 1.7850360271620638
Energy: 1.6960702870383335
Energy: 2.077231093485529
Energy: 1.8007111869311854
Energy: 1.7610830557980068
Energy: 2.127414268216401
Energy: 2.0691537590173112
Energy: 2.015390768555826
Energy: 1.735572688185139
Energy: 2.2301604288886505
Energy: 2.029694745661941
Energy: 2.055942577518832
Energy: 2.0997793156779805
Energy: 1.9485753074380063
Energy: 2.330728917240549
Energy: 2.0006036409447643
Energy: 2.017324195016008
Energy: 2.123319456946264
Energy: 1.98366295550068
Energy: 1.8018357722792766
Energy: 2.0783981121285664
Energy: 2.1062659740590264
Energy: 2.0860608599996886
Energy: 2.2410716324265367
Energy: 1.953910518937167
Energy: 1.8682893352954313
Energy: 2.0769119269986573
Energy: 1.8658607509885148
Energy: 1.8695239098504364
Energy: 2.0320995030873
Energy: 1.6810983130681905
Energy: 1.8509907361824878
Energy: 2.0414992951732467
Energy: 1.6168414443162604
Energy: 1.9401285167204183
Energy: 2.1546555460745163
Energy: 1.7872841102861041
Energy: 1.9976450905737362
Energy: 1.9482358201846348
Energy: 1.9180377287660588
Energy: 1.9595068167440977
Energy: 1.630795014733867
Energy: 1.7836754396378485
Energy: 1.6417583154880755
Energy: 1.501432461121551
Energy: 1.789208735884102
Energy: 1.8367606462277868
Energy: 1.2743808968766843
Energy: 2.005764858739901
Energy: 1.927694512771622
Energy: 1.3785206486534622
Energy: 2.121476886102833
Energy: 1.8234521281504716
Energy: 1.721172013490111
Energy: 1.869082294618192
Energy: 1.7670123560464894
Energy: 1.5681071860237126
Energy: 1.7381067872644
Energy: 1.779930103326309
Energy: 2.0652781357355376
Energy: 1.7127849272915412
Energy: 1.800992676744249
Energy: 2.040486986988999
Energy: 1.572187860632981
Energy: 1.6148454778371666
Energy: 2.031849764333574
Energy: 1.859424171836883
Energy: 1.6447131122327285
Energy: 1.9289042941768917
Energy: 1.5909319158271147
Energy: 1.6970455196932437
Energy: 2.4050768074029394
Energy: 1.95514943495281
Energy: 1.9408535323645024
Energy: 1.971016301843392
Energy: 1.9153927194794167
Energy: 1.9067341637548212
Energy: 2.07522313985492
Energy: 2.2067242963645444
Energy: 2.1680324610242168
Energy: 1.9574752193978582
Energy: 1.8242545342400245
Energy: 2.306261123532209
Energy: 2.0351584612782534
Energy: 1.8839148070863767
Energy: 1.783414935457553
Energy: 1.9925484091644106
Energy: 1.8640629897079481
Energy: 1.7755988299518868
Energy: 2.173067201714528
Energy: 2.105466326288184
Energy: 2.407431535210714
Energy: 1.9582686401136356
Energy: 2.0689348477995586
Energy: 2.0333030564467074
Energy: 2.0408148271114523
Energy: 1.936915401609761
Energy: 1.873849347274848
Energy: 2.1379780047191406
Energy: 1.782295620906574
Energy: 1.9782933708335275

minimum gb energy = 1.2743808968766843 eV
minimum distance =  2.19720066162105 Angstroms
sigma value = 17


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

Energy: 1.9948760094433953
Energy: 1.791700419244339
Energy: 1.8178181258452202
Energy: 1.992943528992098
Energy: 2.1360145215145923
Energy: 1.8616229437387877
Energy: 2.082315467369802
Energy: 1.8779244843062464
Energy: 1.7010513488044332
Energy: 2.01718136482463
Energy: 1.6417780708612146
Energy: 1.6348135345571049
Energy: 1.7015118439540455
Energy: 1.7963185721504167
Energy: 1.8206357353389873
Energy: 1.7146334695504877
Energy: 1.8193758151228256
Energy: 1.6899957195835544
Energy: 1.4883566490092428
Energy: 1.7891495166933795
Energy: 1.7524587074664997
Energy: 1.4406953374782974
Energy: 1.8391316389348598
Energy: 1.6678292476693004
Energy: 1.676736336173131
Energy: 1.9817559371245745
Energy: 1.9642735265259492
Energy: 1.8075371375154308
Energy: 1.9065077832954993
Energy: 1.7828763281730395
Energy: 1.8790891623929473
Energy: 1.5882718416739563
Energy: 1.600705400345824
Energy: 1.6566704781736852
Energy: 1.405183505337014
Energy: 1.668229592889999
Energy: 1.8504787732656183
Energy: 1.3843478699796206
Energy: 1.2918825477254046
Energy: 1.714936766907983
Energy: 1.2593198302060646
Energy: 1.4231411945842938
Energy: 1.5539723523186586
Energy: 1.7342604561316566
Energy: 1.6498668952028646
Energy: 1.5366165595920633
Energy: 1.7692663218371354
Energy: 1.8243038643515355
Energy: 1.4072950149498082
Energy: 1.6172811935946583
Energy: 1.5316012962106915
Energy: 1.4040726980306955
Energy: 1.6937333851558143
Energy: 1.588078590575037
Energy: 1.4654569505311297
Energy: 1.8011023489625966
Energy: 1.5873672935780445
Energy: 1.4386845272769984
Energy: 1.6288546131008217
Energy: 1.5279366763476923
Energy: 1.6884922947151162
Energy: 1.7721230712321858
Energy: 1.7714196217448641
Energy: 1.7168046513572228
Energy: 1.799662299761205
Energy: 1.7059480766402697
Energy: 1.8361398087645853
Energy: 1.6297449519806733
Energy: 1.5943971682126217
Energy: 1.8053500317495053
Energy: 1.6063168799253105
Energy: 1.824322510635384
Energy: 1.750947700405494
Energy: 1.7465170827636642
Energy: 1.712275495163496
Energy: 1.6985802418308176
Energy: 1.7567836966663297
Energy: 1.8703338316223077
Energy: 1.735485737587848
Energy: 1.561002077408224
Energy: 1.9430289270974221
Energy: 1.7360604680887253
Energy: 1.9753179458694519
Energy: 1.953238334140769
Energy: 1.831212806531571
Energy: 1.8259236707638609
Energy: 1.737729481732159
Energy: 1.8636895318724027
Energy: 1.7161987379677128
Energy: 1.8023551912212548
Energy: 2.1944824652594885
Energy: 1.9418061736457588
Energy: 1.8853185104100105
Energy: 2.192614338582135
Energy: 2.1174471130310937
Energy: 1.845530906843961
Energy: 1.9093717340909107
Energy: 1.749928188342179
Energy: 1.8886975983815375
Energy: 1.9129914972525108
Energy: 1.7397620676890424
Energy: 1.8150648050838558

minimum gb energy = 1.2593198302060646 eV
minimum distance =  2.25919539642181 Angstroms
sigma value = 17


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

Energy: 2.0127277895326583
Energy: 1.8227620208833537
Energy: 1.5763620107307559
Energy: 1.8656007871214846
Energy: 1.800050023944184
Energy: 1.7373190315005573
Energy: 1.9026921983594602
Energy: 1.7971424471886113
Energy: 1.6664616370223726
Energy: 1.9377088474868918
Energy: 1.7257059268231842
Energy: 1.7510973695617815
Energy: 1.8966920039704787
Energy: 1.6169302478367713
Energy: 1.8089994856963905
Energy: 1.6625211817600678
Energy: 1.6675827987131968
Energy: 1.883493356066103
Energy: 1.3479664235274122
Energy: 1.7961475922583368
Energy: 1.728178171508074
Energy: 1.6022577845509094
Energy: 1.7100333728580897
Energy: 1.7774963506423727
Energy: 1.816445931021402
Energy: 1.7777164911085224
Energy: 1.8593646685339882
Energy: 1.8828311115733618
Energy: 1.7982722802639117
Energy: 1.8534464530208843
Energy: 1.7010239929673394
Energy: 1.4833351018671947
Energy: 1.4948743370036977
Energy: 1.627913577242031
Energy: 1.384066817557341
Energy: 1.538244285963503
Energy: 1.8026786238685166
Energy: 1.484645679440271
Energy: 1.4614387754631744
Energy: 1.8223956003182527
Energy: 1.3426614010042315
Energy: 1.436310364731153
Energy: 1.6982387289193044
Energy: 1.5935892951672714
Energy: 1.656429102482658
Energy: 1.6162049152258524
Energy: 1.5437239500747202
Energy: 1.6838338823022005
Energy: 1.2962113058416729
Energy: 1.6070864633714783
Energy: 1.578742680139594
Energy: 1.3330660037986486
Energy: 1.6325327858514975
Energy: 1.455844011326963
Energy: 1.577776482093999
Energy: 1.7162046415562917
Energy: 1.595149129364503
Energy: 1.486077833369165
Energy: 1.6795848948719585
Energy: 1.5997387228737239
Energy: 1.7216729806773938
Energy: 1.5735155831240017
Energy: 1.5718348561731357
Energy: 1.8454620516368665
Energy: 1.5643421475599808
Energy: 1.6153585838972484
Energy: 1.8244529494593156
Energy: 1.5114046087157924
Energy: 1.3887023941758694
Energy: 1.751741967597194
Energy: 1.3888578063552866
Energy: 1.4810388133615116
Energy: 1.6616990466896777
Energy: 1.6655212891395004
Energy: 1.7725988932278132
Energy: 1.6937099218703364
Energy: 1.6919284331128954
Energy: 1.8032950522417286
Energy: 1.54847901277299
Energy: 1.7057381132754346
Energy: 1.6406482776296036
Energy: 1.3319484538883728
Energy: 1.6225897131392295
Energy: 1.4995044841504852
Energy: 1.4626850423045965
Energy: 1.598888747300685
Energy: 1.6354344277585082
Energy: 1.4408320289889003
Energy: 1.668141401099201
Energy: 1.6363485113309295
Energy: 1.6762095005604782
Energy: 1.841639857564729
Energy: 1.8178178577579738
Energy: 1.6663525320099397
Energy: 1.8041802098025252
Energy: 1.839707290606211
Energy: 1.8221079858650138
Energy: 1.6290259366815651
Energy: 1.631390018813314
Energy: 1.7691846314053645
Energy: 1.4960338590427853
Energy: 1.71242061850746
Energy: 1.8970501314489734
Energy: 1.7696364382358851
Energy: 1.816805509402688
Energy: 1.7628195353469667
Energy: 1.7920651366397833
Energy: 1.7934257050571198
Energy: 1.8983578691581713
Energy: 2.0284692000835474
Energy: 1.6928840218576724
Energy: 1.7400677996401066
Energy: 1.9780365816218624
Energy: 1.9036625190605454
Energy: 1.8901621734403158
Energy: 1.7748725227866549
Energy: 1.8075151448151643
Energy: 1.9137579255169714
Energy: 1.8315856972799665
Energy: 1.748059386085608
Energy: 2.0485569251481293
Energy: 2.0336535206733433
Energy: 1.8253020637137147
Energy: 1.913104983223229
Energy: 1.9837134469766622
Energy: 1.8777598500860397
Energy: 1.8047453297775666
Energy: 1.9707257180003914
Energy: 1.7936140411599137
Energy: 1.8254857422878805
Energy: 1.790666408938022
Energy: 1.851563266364319
Energy: 1.8570354729541747
Energy: 1.8556427013597707
Energy: 1.893743820929756
Energy: 1.8134056151698135
Energy: 1.8057694870252103
Energy: 1.8495080408055933
Energy: 1.942419850605817
Energy: 1.8410377345170155
Energy: 1.9930160631057914
Energy: 1.8014044632794386
Energy: 1.8643298109956996
Energy: 2.0414826781411177
Energy: 1.5772448502339764
Energy: 1.6445474373609639
Energy: 1.6555528915220126
Energy: 1.659911162840397
Energy: 1.641055812503277
Energy: 1.7131327912512802
Energy: 1.7600406385305252
Energy: 1.751848705864108
Energy: 1.636967432684641
Energy: 1.668017163297012
Energy: 1.7861171325141794
Energy: 1.7813751813810677
Energy: 1.6687502681724014
Energy: 1.644377057044838
Energy: 1.7469956537636888
Energy: 1.673372482904488
Energy: 1.5106292090518891
Energy: 1.8014942591771796
Energy: 1.6402587298469973
Energy: 1.5141474605904675
Energy: 1.5254374729655698
Energy: 1.6429628747142244
Energy: 1.2923810649954648
Energy: 1.5390687424816465
Energy: 1.6992986596318354
Energy: 1.5253718686245783
Energy: 1.6366036789664404
Energy: 1.6439919410001234
Energy: 1.6960146724756469
Energy: 1.6794448506581654
Energy: 1.4375373335751578
Energy: 1.5392537689499723
Energy: 1.6499075309010978
Energy: 1.465621377010851
Energy: 1.553263400329542
Energy: 1.5833402497792242
Energy: 1.3746331709702284
Energy: 1.605422394708867
Energy: 1.4882579003538627
Energy: 1.3030956786643435
Energy: 1.6739784455857483
Energy: 1.35377205576352
Energy: 1.758047017728245
Energy: 1.536805570586319
Energy: 1.6135867984251495
Energy: 1.7003267511443696
Energy: 1.5044459248547417
Energy: 1.6159308618894994
Energy: 1.9801467374971669
Energy: 1.2587541076337223
Energy: 1.4818368864071187
Energy: 1.7024242573531805
Energy: 1.2615702713344983
Energy: 1.4444031784483662
Energy: 1.6929706947245307
Energy: 1.4545385232219867
Energy: 1.544746811216823
Energy: 1.6702946387558266
Energy: 1.3674151848654597
Energy: 1.6504276070638788
Energy: 1.4988677358919595
Energy: 1.6996878919572362
Energy: 1.7011285279861499
Energy: 1.501845761808703
Energy: 1.7835460438068809
Energy: 1.613549417568032
Energy: 1.4695109841685383
Energy: 1.5728574469607721
Energy: 1.7392398701120877
Energy: 1.4213521247097294
Energy: 1.5947218957029186
Energy: 1.6560182381856223
Energy: 1.5954177420980937
Energy: 1.8292909751207325
Energy: 1.758525730392307
Energy: 1.707652602093669
Energy: 1.8670554630489986
Energy: 1.8795557519702026
Energy: 1.8083101343414343
Energy: 1.5668405340184404
Energy: 1.6950806113532229
Energy: 1.9387019130414245
Energy: 1.546065350148901
Energy: 1.7155675188768609
Energy: 1.7315929498284734
Energy: 1.7728151189496102
Energy: 1.612693820652284
Energy: 1.742394670174812
Energy: 1.6669762134560657
Energy: 1.745659730083221
Energy: 1.9615524074386115
Energy: 1.8656204674271935
Energy: 1.9540545879122593
Energy: 1.981404896386663
Energy: 1.8946685935661585
Energy: 1.8297734587511127
Energy: 1.8321228491123185
Energy: 1.7435019298008212
Energy: 1.8574690002734693
Energy: 1.8664044484424167
Energy: 1.7518653238030377
Energy: 1.9014926586487608
Energy: 1.8716481359928705
Energy: 1.8715239664932874
Energy: 1.8777051456416267
Energy: 1.9124010134756133
Energy: 1.9489288348598848
Energy: 2.011843992044219
Energy: 1.9781733738733052
Energy: 1.7712526574771903
Energy: 1.8570729133853834
Energy: 1.835172656611506
Energy: 1.7308607303505716
Energy: 1.8238221945335864

minimum gb energy = 1.2587541076337223 eV
minimum distance =  2.2525599360153 Angstroms
sigma value = 57


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

Energy: 1.7126638921677757
Energy: 1.69989414792131
Energy: 1.5370380179020702
Energy: 1.7999085648445932
Energy: 1.8161858744758124
Energy: 1.694356326059192
Energy: 1.831980232235256
Energy: 1.5498032339524603
Energy: 1.6068908518981975
Energy: 1.825740318989789
Energy: 1.565627541373181
Energy: 1.6430648479954972
Energy: 1.617996260096821
Energy: 1.5641558312312391
Energy: 1.608016610366531
Energy: 1.6427955866282993
Energy: 1.6008778512017412
Energy: 1.7166357187173404
Energy: 1.3475001605129107
Energy: 1.5469330019761496
Energy: 1.7750723239235688
Energy: 1.314715029005087
Energy: 1.6257162249883597
Energy: 1.5627371245113288
Energy: 1.606721710667797
Energy: 1.5864214431273689
Energy: 1.7247975876140955
Energy: 1.7392798158259928
Energy: 1.608214146672331
Energy: 1.6767077671110684
Energy: 1.5864331955961355
Energy: 1.4865783713778122
Energy: 1.454628937419071
Energy: 1.5470386412121186
Energy: 1.378651077849218
Energy: 1.5387796586201856
Energy: 1.6627145083269397
Energy: 1.399572645558672
Energy: 1.34203863049603
Energy: 1.7052388693986638
Energy: 1.3450130238289286
Energy: 1.27139987380431
Energy: 1.530234086898736
Energy: 1.596178517773274
Energy: 1.4909408554685326
Energy: 1.3341073767974883
Energy: 1.4711286357364943
Energy: 1.6150477265999374
Energy: 1.1294044383315718
Energy: 1.473340823048089
Energy: 1.4576035208830047
Energy: 1.0328271581061352
Energy: 1.5113788158154577
Energy: 1.3720218012517154
Energy: 1.4353367689568124
Energy: 1.6561224934753163
Energy: 1.6940141240377344
Energy: 1.4307156653745132
Energy: 1.6043368143178378
Energy: 1.543804155538704
Energy: 1.4856292103347002
Energy: 1.3979688453482808
Energy: 1.4051270152276503
Energy: 1.5122585597109663
Energy: 1.2689849222757563
Energy: 1.4563444941126504
Energy: 1.6785275611749324
Energy: 1.1300248194020834
Energy: 1.3052387593725776
Energy: 1.5285826729665273
Energy: 1.1535736238943692
Energy: 1.3373432914457153
Energy: 1.5181670935704998
Energy: 1.5609521466076324
Energy: 1.5242227798626056
Energy: 1.4876039861276302
Energy: 1.5756441575512035
Energy: 1.5266513691373889
Energy: 1.13282492318513
Energy: 1.5297782168524794
Energy: 1.318496351878028
Energy: 1.1360334965428045
Energy: 1.4434744036861706
Energy: 1.1931674900574156
Energy: 1.2516989018139182
Energy: 1.5285332315871751
Energy: 1.5068501299126846
Energy: 1.3917422964095538
Energy: 1.4846760890543675
Energy: 1.536522309390632
Energy: 1.54668274470905
Energy: 1.3196040502822308
Energy: 1.426171571888021
Energy: 1.4691814468297644
Energy: 1.4365566435600057
Energy: 1.6214168084051506
Energy: 1.6086658710529547
Energy: 1.322768985091352
Energy: 1.3778702438034711
Energy: 1.5212891717373491
Energy: 1.267007450122394
Energy: 1.4373695210467223
Energy: 1.7464342997962372
Energy: 1.7668793031118415
Energy: 1.6005059797985528
Energy: 1.5365232245234568
Energy: 1.4761265490265958
Energy: 1.563022074266687
Energy: 1.2788402874445204
Energy: 1.6482429322879981
Energy: 1.5117990534786283
Energy: 1.2885406498747256
Energy: 1.7314442538352977
Energy: 1.469932304668426
Energy: 1.5153301075049506
Energy: 1.4905884770856386
Energy: 1.6078846803555809
Energy: 1.302722514145905
Energy: 1.5088627670351713
Energy: 1.5775110916205695
Energy: 1.6778687136766202
Energy: 1.7619932666846714
Energy: 1.627069466014426
Energy: 1.5709404177126134
Energy: 1.784414117108705
Energy: 1.653753404112182
Energy: 1.5905334196002179
Energy: 1.4960941686635025
Energy: 1.5677528620514227
Energy: 1.6567267715798493
Energy: 1.5415882329957444
Energy: 1.7290327619902264
Energy: 1.6727629207048353
Energy: 1.7184266296728201
Energy: 1.7280532788598442
Energy: 1.820307243614684
Energy: 1.6313087017152559
Energy: 1.8131784376732338
Energy: 1.6529014199752778
Energy: 1.7342729786505988
Energy: 1.7979328727712727
Energy: 1.5738900694616202
Energy: 1.7861621834551191
Energy: 1.7000288292279722
Energy: 1.8181262012676112
Energy: 1.7000815584374391
Energy: 1.6719462479014429
Energy: 1.734194473225351
Energy: 1.7517500082745168
Energy: 1.7245337747709129
Energy: 1.8140224648256364
Energy: 1.7463646345486072
Energy: 1.7647550219412795
Energy: 1.8055069607402527
Energy: 1.7449514385609375
Energy: 1.6440879992723416
Energy: 1.6043857163043993
Energy: 1.6556160617700995
Energy: 1.7522885574393807
Energy: 1.6519637556090838
Energy: 1.872215453583613
Energy: 1.7341937996210939

minimum gb energy = 1.0328271581061352 eV
minimum distance =  2.26943517345089 Angstroms
sigma value = 43


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

Energy: 1.5247815307149735
Energy: 1.5339404426847023
Energy: 1.4673121534125744
Energy: 1.5512718385007391
Energy: 1.7435033658672983
Energy: 1.5411716715213108
Energy: 1.7045870810346855
Energy: 1.3588213086765701
Energy: 1.5658691511979352
Energy: 1.4833031487072021
Energy: 1.3375225524942138
Energy: 1.5336331915621728
Energy: 1.4418394001783417
Energy: 1.424835634412996
Energy: 1.4927427280859469
Energy: 1.5243001070402087
Energy: 1.4935597454243503
Energy: 1.4941927191601276
Energy: 1.1929463047203686
Energy: 1.469742121761443
Energy: 1.5477197822022462
Energy: 1.2875598205613132
Energy: 1.4758351540872579
Energy: 1.4658385438179127
Energy: 1.4270815409490012
Energy: 1.451394915187365
Energy: 1.5642992317321651
Energy: 1.4481661841651075
Energy: 1.3564575215300405
Energy: 1.5064648330138104
Energy: 1.410986570912613
Energy: 1.3910688512243599
Energy: 1.3593846208197742
Energy: 1.3863475515520371
Energy: 1.3532199040230397
Energy: 1.3901160151579186
Energy: 1.4972664481046973
Energy: 1.290727379238294
Energy: 1.235246264847421
Energy: 1.5325138265632345
Energy: 1.241327354647921
Energy: 1.3357910594465656
Energy: 1.376645159102105
Energy: 1.3752923436150748
Energy: 1.4182301544278157
Energy: 1.3811434861098506
Energy: 1.3533572755175338
Energy: 1.4644858580304756
Energy: 0.9235977580131065
Energy: 1.351895467758529
Energy: 1.3552142671497442
Energy: 1.1786095681965685
Energy: 1.4449087477381704
Energy: 1.3015844169193143
Energy: 1.4800152442223806
Energy: 1.395419358641259
Energy: 1.430365260813143
Energy: 1.408929424459942
Energy: 1.3530240975677403
Energy: 1.465139537391608
Energy: 1.3672641732401034
Energy: 1.232721938650687
Energy: 1.3232862043519635
Energy: 1.3350694987594478
Energy: 1.120213929778185
Energy: 1.3371905916024878
Energy: 1.4796151686111723
Energy: 1.1424329413433194
Energy: 1.1516422193959361
Energy: 1.4628155770260276
Energy: 1.17460060051577
Energy: 1.2637922672745916
Energy: 1.1832943151137816
Energy: 1.351354345466959
Energy: 1.3680611530705808
Energy: 1.1976395615223059
Energy: 1.2815891412179186
Energy: 1.4651059252449437
Energy: 0.9416914091414392
Energy: 1.3699151554428386
Energy: 1.197077059347509
Energy: 0.8615400332730672
Energy: 1.3702683756147702
Energy: 1.2123535012086815
Energy: 1.2686705148364874
Energy: 1.3255149557153036
Energy: 1.310677848014943
Energy: 1.2562644032997492
Energy: 1.3214855883682002
Energy: 1.3397563444100218
Energy: 1.3563497652037961
Energy: 1.204328666005844
Energy: 1.220281786527705
Energy: 1.3605914133366661
Energy: 1.109255884369581
Energy: 1.1878751042003837
Energy: 1.4033966656810537
Energy: 1.119747023875179
Energy: 1.1295553795585447
Energy: 1.321802023687101
Energy: 1.0657796271875337
Energy: 1.196721565579975
Energy: 1.362963848554619
Energy: 1.3499781053871285
Energy: 1.3149825945412748
Energy: 1.288246712979381
Energy: 1.2859801157020678
Energy: 1.3147720635085698
Energy: 1.005301030464611
Energy: 1.2551035115229874
Energy: 1.2466987884904102
Energy: 0.8932051087456366
Energy: 1.3699569640553664
Energy: 1.09199810501069
Energy: 1.354582263028855
Energy: 1.3557102665088172
Energy: 1.33485648067376
Energy: 1.2107765258216179
Energy: 1.3400627470599729
Energy: 1.3340751634450896
Energy: 1.3981118864391184
Energy: 1.1767838128567993
Energy: 1.1646936697414114
Energy: 1.330733111328378
Energy: 1.133945797569019
Energy: 1.3140803216014754
Energy: 1.3782837436010487
Energy: 1.2621165422594
Energy: 1.2837081350160733
Energy: 1.3772735295495873
Energy: 1.1854402745826873
Energy: 1.2354755390643564
Energy: 1.321215642631731
Energy: 1.341398833196522
Energy: 1.321654287640645
Energy: 1.275256158246952
Energy: 1.3229882162650863
Energy: 1.5179800126191196
Energy: 0.9159797598551852
Energy: 1.3900111216715159
Energy: 1.367396222360038
Energy: 0.9398078284979093
Energy: 1.4009394708814331
Energy: 1.2446308035159386
Energy: 1.2061318388402305
Energy: 1.3682099066730202
Energy: 1.445056778011923
Energy: 1.1759473012400925
Energy: 1.3068254744121828
Energy: 1.5603771359190153
Energy: 1.5014876771383507
Energy: 1.1782954709880733
Energy: 1.231173242807265
Energy: 1.4445225221849365
Energy: 1.2070803814045605
Energy: 1.2832209639914502
Energy: 1.4019836269056238
Energy: 1.217198128834237
Energy: 1.316906409199095
Energy: 1.3416599656825874
Energy: 1.2968983262901064
Energy: 1.372158028104817
Energy: 1.452875881782672
Energy: 1.393944104588905
Energy: 1.480397091337625
Energy: 1.4388406628172863
Energy: 1.3523171409282795
Energy: 1.4385663783672236
Energy: 1.0652800980893817
Energy: 1.4275058654617412
Energy: 1.4169059026757753
Energy: 1.08982241022387
Energy: 1.468279994921118
Energy: 1.3496017109450613
Energy: 1.2844440212226065
Energy: 1.4111474505719723
Energy: 1.4625961838658645
Energy: 1.3333233424158684
Energy: 1.425657782066823
Energy: 1.5438641169639582
Energy: 1.5650205592614037
Energy: 1.3024387663263373
Energy: 1.4029953581934724
Energy: 1.553414376473149
Energy: 1.3879883579360595
Energy: 1.5086967792168426
Energy: 1.4547801555685518
Energy: 1.4543836535726418
Energy: 1.4722751036564692
Energy: 1.4219250727663713
Energy: 1.4014530335541042
Energy: 1.443525505997283
Energy: 1.5352874819838702
Energy: 1.4899565074782146
Energy: 1.5869420729367554
Energy: 1.516246267755814
Energy: 1.3970592948806797
Energy: 1.5665002124021576
Energy: 1.3279034218964845
Energy: 1.5445397072350424
Energy: 1.6681808024841018
Energy: 1.4389746293480123
Energy: 1.5764314859910713
Energy: 1.531845413649676
Energy: 1.3810884861469723
Energy: 1.4758821500434052
Energy: 1.5554597158175822
Energy: 1.4341430443222363
Energy: 1.5343177730950555
Energy: 1.536327572574337
Energy: 1.70458889720288
Energy: 1.5170777756019935
Energy: 1.6200659777797082
Energy: 1.6623341522874058
Energy: 1.4300105895488577
Energy: 1.5077241606245129

minimum gb energy = 0.8615400332730672 eV
minimum distance =  2.19899973539869 Angstroms
sigma value = 81


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

Energy: 0.3683082624079906
Energy: 0.6700703158799546
Energy: 0.34310991114168987
Energy: 0.08376690966399096
Energy: 3.1017658540028994
Energy: 0.6702539665596926
Energy: 0.948776164787594
Energy: 2.5609025960702883
Energy: 2.8760603500001216
Energy: 2.5064407784075784
Energy: 1.9086605201959976
Energy: 4.230018184911973
Energy: 2.6636372025109227
Energy: 0.3441666470180832
Energy: 0.6228371051469115
Energy: 2.7143214022203233
Energy: 0.22088284500296093
Energy: 0.6182905731111819
Energy: 1.540316426483484
Energy: 0.37370626873062573
Energy: 0.7459669513359888
Energy: 2.767090031894344
Energy: 0.38559747339909894
Energy: 0.7721781484913156
Energy: 0.6186214003887148
Energy: 3.1570854430652666
Energy: 2.5313617297844404
Energy: 0.6182533699059733
Energy: 4.010962989778887
Energy: 3.4287936338874903
Energy: 0.08255415162601447
Energy: 3.4439319978631353
Energy: 0.3578519125740364
Energy: 0.08412382883728457
Energy: 2.0888685667251146
Energy: 0.3735758772468113
Energy: 2.343797836297711
Energy: 2.5065401043590323
Energy: 3.2949985898936847
Energy: 2.563399319917541
Energy: 2.2279611230100222
Energy: 3.47673224756531
Energy: 3.3543549636057484
Energy: 0.2426510174413041
Energy: 0.6582055809131493
Energy: 2.5107498318504926
Energy: 0.08144939008315208
Energy: 0.6181866400883427
Energy: 1.8596154371384233
Energy: 0.3426512447588458
Energy: 0.6847975451671454
Energy: 1.5308437342669527
Energy: 0.3713471660759556
Energy: 0.7720142751461968
Energy: 1.0118422295880867
Energy: 2.204871675707902
Energy: 3.1294097850226428
Energy: 0.6721131512544655
Energy: 2.729530945284382
Energy: 2.494815237596194

minimum gb energy = 0.08144939008315208 eV
minimum distance =  2.18841907539993 Angstroms
sigma value = 3


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

Energy: 1.5682752117002086
Energy: 1.6724809746907892
Energy: 1.6032640790278094
Energy: 1.5481910950966216
Energy: 1.8534409697949856
Energy: 1.441066640838381
Energy: 1.6953158071452803
Energy: 1.4583963321075673
Energy: 1.5943243644518357
Energy: 1.6490189420013057
Energy: 1.5140736163959259
Energy: 1.67988720458805
Energy: 1.539862482995447
Energy: 1.5694447248969743
Energy: 1.6028709428554075
Energy: 1.6195984693617442
Energy: 1.566807396639315
Energy: 1.6268098630880063
Energy: 1.271176091644384
Energy: 1.5989325143381108
Energy: 1.610746243197512
Energy: 1.3400560988934598
Energy: 1.500896016970897
Energy: 1.6756249338429687
Energy: 1.7629041387873536
Energy: 1.4792654976686455
Energy: 1.5101743932439455
Energy: 1.5941392591776644
Energy: 1.344673587701708
Energy: 1.7091563233427334
Energy: 1.564394162550598
Energy: 1.6858142021752267
Energy: 1.5217065290296508
Energy: 1.443916178277438
Energy: 1.462613600520694
Energy: 1.425938878301146
Energy: 1.5469633973727075
Energy: 1.577632846299011
Energy: 1.5997310889526601
Energy: 1.511437720900503
Energy: 1.5721991843702003
Energy: 1.5050014127386608
Energy: 1.2552536176086586
Energy: 1.411514049613708
Energy: 1.4113267192377468
Energy: 1.2697060460958778
Energy: 1.4423457227353575
Energy: 1.5329416978534882
Energy: 1.2422998609433422
Energy: 1.432106750530163
Energy: 1.5663831766744742
Energy: 1.2940020705235562
Energy: 1.4554217580367323
Energy: 1.5836816531386566
Energy: 1.5193164646702815
Energy: 1.3022793796729701
Energy: 1.3638785276099175
Energy: 1.5589717686710711
Energy: 1.2618058688642215
Energy: 1.4326582176717386
Energy: 1.4247732691978499
Energy: 1.4647072137272954
Energy: 1.51619924309405
Energy: 1.384573314594367
Energy: 1.212970681693043
Energy: 1.3674639803993012
Energy: 1.258126227439338
Energy: 1.3629241348333148
Energy: 1.2851084041653273
Energy: 1.2662263947245065
Energy: 1.474715891958415
Energy: 1.2677603365771835
Energy: 1.2010233118589428
Energy: 1.3869694387884912
Energy: 1.3293867862716622
Energy: 1.1269597689953073
Energy: 1.422957407486486
Energy: 1.3706178646583507
Energy: 1.2224760912630386
Energy: 1.3252065406820224
Energy: 1.3306392378137115
Energy: 1.3027606511589365
Energy: 1.3307305311605069
Energy: 1.3751148575757415
Energy: 1.6108918709927698
Energy: 1.2794923728733234
Energy: 1.2700128076178656
Energy: 1.4070319049850026
Energy: 1.076624430964891
Energy: 1.3352535744618028
Energy: 1.4597687220770852
Energy: 1.3431696162057563
Energy: 1.3734058124466668
Energy: 1.3260536636602218
Energy: 1.3173384581996639
Energy: 1.2958703515436159
Energy: 1.0902817978879564
Energy: 1.2855618695742308
Energy: 1.2176234574475868
Energy: 0.9584699771982158
Energy: 1.3996690727886374
Energy: 1.1963245627168984
Energy: 1.1016806283999603
Energy: 1.2358944203531663
Energy: 1.28451731807847
Energy: 1.0146510780842897
Energy: 1.2208090950451775
Energy: 1.170666153465051
Energy: 1.3310013404749819
Energy: 1.1748845142421567
Energy: 1.1846411786397788
Energy: 1.3437466047641193
Energy: 1.1442034341861387
Energy: 1.1721317960367197
Energy: 1.4788590531872592
Energy: 1.124583291981631
Energy: 1.196286951736244
Energy: 1.4027881812664673
Energy: 1.0117019378858498
Energy: 1.2382937009936026
Energy: 1.2902411269479839
Energy: 1.317246386814077
Energy: 1.3361986202939062
Energy: 1.296991089105892
Energy: 1.244801951408788
Energy: 1.3357825381288508
Energy: 1.1093072428089892
Energy: 1.2851645568857608
Energy: 1.24869256774395
Energy: 1.074179653702257
Energy: 1.425922139350311
Energy: 1.3109593664151011
Energy: 1.3164954858550557
Energy: 1.3738618811206855
Energy: 1.2985326515794442
Energy: 1.2220261869001472
Energy: 1.344989653307969
Energy: 1.2843104762986843
Energy: 1.3757223297857497
Energy: 1.1666045303474886
Energy: 1.291646845501008
Energy: 1.4153074463042743
Energy: 1.1561633143417307
Energy: 1.2870704127351982
Energy: 1.4164560403920963
Energy: 1.1286129012831245
Energy: 1.3169178053630428
Energy: 1.4357510433528806
Energy: 1.1410515472357377
Energy: 1.3313223723848924
Energy: 1.2871735764453984
Energy: 1.399853601192933
Energy: 1.414826961271276
Energy: 1.337493576252684
Energy: 1.320546199389001
Energy: 1.4587146863817857
Energy: 1.1381296421542348
Energy: 1.4245520478557476
Energy: 1.4135746048635522
Energy: 1.175632455239984
Energy: 1.4310091665009064
Energy: 1.4221649630280846
Energy: 1.5955363512656375
Energy: 1.4485757580804295
Energy: 1.5686859899546897
Energy: 1.5041147874974692
Energy: 1.4318041264452943
Energy: 1.5063259602505845
Energy: 1.4856319173874775
Energy: 1.5478884151317807
Energy: 1.4058935935272683
Energy: 1.4273781849173854
Energy: 1.4033043643629546
Energy: 1.3928409308534626
Energy: 1.7071385100705398
Energy: 1.4749558710878992
Energy: 1.3975187731647145
Energy: 1.5935696894483284
Energy: 1.5143081066947717
Energy: 1.487071391311214
Energy: 1.4231888775030777
Energy: 1.516984383481701
Energy: 1.51473964872376
Energy: 1.4990641104830327
Energy: 1.4558051608486196
Energy: 1.553384852157411
Energy: 1.2256734682355477
Energy: 1.548032823112783
Energy: 1.6494142397419425
Energy: 1.3509884934169747
Energy: 1.562021572413945
Energy: 1.6954579701928296
Energy: 1.7277810527032589
Energy: 1.636781883200732
Energy: 1.7480496107717494
Energy: 1.6483741494311501
Energy: 1.5597170178321091
Energy: 1.7212404695058914

minimum gb energy = 0.9584699771982158 eV
minimum distance =  2.21075385451209 Angstroms
sigma value = 67


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

Energy: 1.7523559553578156
Energy: 1.7307139258002429
Energy: 1.6469000422749944
Energy: 1.7083892262778195
Energy: 2.00497486375462
Energy: 1.6723866454437264
Energy: 1.836178089680943
Energy: 1.762601892429872
Energy: 2.01184655871875
Energy: 1.9401188475807736
Energy: 1.9439781233851992
Energy: 1.8992980752332853
Energy: 1.8891508078317203
Energy: 1.6524165373380082
Energy: 1.9329178087907009
Energy: 1.9254448976433156
Energy: 1.7439960736441509
Energy: 1.8157787821595877
Energy: 1.9800406659056378
Energy: 1.8299921736286198
Energy: 1.8741632365538845
Energy: 1.8923030835297925
Energy: 1.7373443383932352
Energy: 1.8681950120618411
Energy: 1.8632053882374793
Energy: 1.7186239799838436
Energy: 1.7296698554275263
Energy: 1.8363850421710115
Energy: 1.745278913736761
Energy: 1.802738164210868
Energy: 1.650252143955857
Energy: 1.6599851266493844
Energy: 1.586152835258221
Energy: 1.6386004412831485
Energy: 1.5315164015633185
Energy: 1.590359420655479
Energy: 1.661542102286402
Energy: 1.8083770127280354
Energy: 1.5524024370678005
Energy: 1.6627110882246536
Energy: 1.8216142013964838
Energy: 1.5790310836652117
Energy: 1.4041690940334288
Energy: 1.6214444291672698
Energy: 1.6254408255473476
Energy: 1.4460474896905948
Energy: 1.6260148406573662
Energy: 1.7240425179916412
Energy: 1.4619337792572804
Energy: 1.637568257926999
Energy: 1.677581276811285
Energy: 1.539160720187482
Energy: 1.5604445578474504
Energy: 1.6627845791233715
Energy: 1.7188619330887112
Energy: 1.3437825661356935
Energy: 1.4751622823889186
Energy: 1.718321136783531
Energy: 1.3841453646881434
Energy: 1.4884695859367962
Energy: 1.6606779770114042
Energy: 1.6352570537321711
Energy: 1.6427483823962004
Energy: 1.5668733617114619
Energy: 1.5604144340065849
Energy: 1.4779887448872433
Energy: 1.3571666725955507
Energy: 1.5200790537714366
Energy: 1.3029203531472708
Energy: 1.3429789468719384
Energy: 1.5310023043037244
Energy: 1.3199019486046635
Energy: 1.346714410354139
Energy: 1.4663373760970029
Energy: 1.3605585046165831
Energy: 1.258315261365458
Energy: 1.5644705207312142
Energy: 1.2992364023591918
Energy: 1.5371817956871756
Energy: 1.5329795683104694
Energy: 1.4533724544391509
Energy: 1.5802315739840682
Energy: 1.4801890102246174
Energy: 1.500054604367365
Energy: 1.873333836428261
Energy: 1.2861136683474483
Energy: 1.3725007965493243
Energy: 1.7602359550862865
Energy: 1.3774520694732821
Energy: 1.4285522356929836
Energy: 1.4578466741138796
Energy: 1.5171907880773898
Energy: 1.594075158450144
Energy: 1.4838443413837337
Energy: 1.4662987652249095
Energy: 1.6083705040949294
Energy: 1.3137638469436785
Energy: 1.5467870981367642
Energy: 1.5174708947541928
Energy: 1.2534277159188298
Energy: 1.5616665246647692
Energy: 1.5690708851610176
Energy: 1.4689896019073316
Energy: 1.6971883571285509
Energy: 1.3813135813427257
Energy: 1.4964871070557022
Energy: 1.6518942930870277
Energy: 1.3986734062942499
Energy: 1.5691765022960038
Energy: 1.435752169222055
Energy: 1.4850514887322865
Energy: 1.6140479040564026
Energy: 1.5463732815375126
Energy: 1.4671674911740689
Energy: 1.7508769185693984
Energy: 1.545854187615768
Energy: 1.6097643090677485
Energy: 1.7016959947368284
Energy: 1.5510616920015798
Energy: 1.6681549572481849
Energy: 1.629115501860065
Energy: 1.7169163342778082
Energy: 1.6939285342500465
Energy: 1.6725002032990546
Energy: 1.6106523618914277
Energy: 1.825509718213997
Energy: 1.5060389027563663
Energy: 1.5807046059910304
Energy: 1.7867777606909558
Energy: 1.7026277455893042
Energy: 1.644430122831148
Energy: 1.7703905396562103
Energy: 1.8660787417745577
Energy: 1.7309799077440895
Energy: 1.9385847204245765
Energy: 1.8277006415964223
Energy: 1.8219926511607103
Energy: 1.9089861198582843

minimum gb energy = 1.2534277159188298 eV
minimum distance =  2.18617849651295 Angstroms
sigma value = 33


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

Energy: 1.958549578457507
Energy: 1.9738453973344878
Energy: 1.850929826985445
Energy: 2.0110302850218718
Energy: 2.1354915431425607
Energy: 1.6761222268996454
Energy: 1.9446946078535194
Energy: 2.1072560436983006
Energy: 2.1341464030036286
Energy: 1.7759282532526806
Energy: 1.9695485914294362
Energy: 1.891186077524096
Energy: 1.5980427795963212
Energy: 1.9474066261517389
Energy: 1.9151356728636932
Energy: 1.9621162233168647
Energy: 1.912752749261009
Energy: 1.9052844866011749
Energy: 1.9674399652206098
Energy: 1.83461648036081
Energy: 1.8272468883997366
Energy: 2.1397938722451397
Energy: 1.904089228759949
Energy: 1.9611883753762525
Energy: 2.0137644070245972
Energy: 1.8201949481178115
Energy: 1.99398653955366
Energy: 1.9416380792443677
Energy: 1.6979452354131443
Energy: 1.8918696999251208
Energy: 1.8308176754826284
Energy: 1.6650722733158838
Energy: 1.7392310112608727
Energy: 1.7437766247900308
Energy: 1.5874760612986143
Energy: 1.5181999988945039
Energy: 1.5960165585538935
Energy: 1.870050909622224
Energy: 1.8151763929122502
Energy: 1.5865214880673426
Energy: 1.816613732151357
Energy: 1.6412400462614016
Energy: 1.4344631301953346
Energy: 1.5662264645585473
Energy: 1.730308686721535
Energy: 1.4415141716940563
Energy: 1.6517576978100033
Energy: 1.6181317316571988
Energy: 1.7295761447291156
Energy: 1.5790770583110623
Energy: 1.7425582109200841
Energy: 1.6787152671309322
Energy: 1.7367170629942978
Energy: 1.5820136740124082
Energy: 1.722395293469817
Energy: 1.4292334687881973
Energy: 1.634356587624135
Energy: 1.7498394997972433
Energy: 1.4287356873443193
Energy: 1.5523275545023179
Energy: 1.6397286582708657
Energy: 1.4600618837467652
Energy: 1.600993767728828
Energy: 1.6167546579384389
Energy: 1.3880098675924029
Energy: 1.541297849110269
Energy: 1.4492905093363513
Energy: 1.6885608672190915
Energy: 1.5273726526930744
Energy: 1.4554570736791348
Energy: 1.7452107553415594
Energy: 1.4606086697193088
Energy: 1.445010704259756
Energy: 1.661848542625493
Energy: 1.5424973928036916
Energy: 1.442256082010596
Energy: 1.7089066434219702
Energy: 1.4447860939585226
Energy: 1.6657158604880067
Energy: 1.5446629333517863
Energy: 1.738299491668108
Energy: 1.5939599932444029
Energy: 1.5767873022338188
Energy: 1.5065433671016923
Energy: 1.881018178220599
Energy: 1.5706754806867549
Energy: 1.6171866300406503
Energy: 1.8549257152778886
Energy: 1.4232814508067304
Energy: 1.6737751502108584
Energy: 1.838124291825392
Energy: 1.7082582035340264
Energy: 1.8058002398391582
Energy: 1.8763043335727416
Energy: 1.8214480671716118
Energy: 1.8823935223588322
Energy: 1.6690317170115854
Energy: 1.7508234946036279
Energy: 1.7719541354320272
Energy: 1.6840974077556754
Energy: 1.7638196245607893
Energy: 1.761224616161686
Energy: 1.8854483996834204
Energy: 1.9885623423431436
Energy: 2.023469126507751
Energy: 1.7867834862141654
Energy: 1.7296553411076994
Energy: 1.805787008220342
Energy: 1.972214964170727
Energy: 1.7894384939664632
Energy: 1.9236311934797232
Energy: 1.7912757989321217
Energy: 1.8707987207976358
Energy: 1.645191197957686
Energy: 2.015785912166048
Energy: 2.0063309802059806
Energy: 1.8816485067151107
Energy: 1.9365650217971422
Energy: 1.9728483544369508
Energy: 2.1205726135198897
Energy: 2.086790831035419
Energy: 1.7841423344466758
Energy: 1.8827705202634606
Energy: 2.1025382433069484
Energy: 1.8917870540971287
Energy: 1.9774753862331937
Energy: 1.9886479456185142
Energy: 1.9413911443370813
Energy: 1.888906386209512
Energy: 2.124724190603303
Energy: 1.9132361556610449
Energy: 1.9470911053843936
Energy: 2.118084031292799
Energy: 1.8930091013788435
Energy: 1.8860238882910128
Energy: 1.9357604749484711
Energy: 1.840564256823799
Energy: 1.9416401990192134
Energy: 1.844416057443797
Energy: 1.6804380951656306
Energy: 1.8201897721723563
Energy: 1.9166173007424727
Energy: 1.627927882058806
Energy: 1.5633700633213343
Energy: 1.5773007497936151
Energy: 1.8493983861619914
Energy: 1.7387509414018523
Energy: 1.5831705622973211
Energy: 1.8113412833568072
Energy: 1.5200139844682168
Energy: 1.5619111289711058
Energy: 1.6709544254664954
Energy: 1.7467258531756849
Energy: 1.4860976206527414
Energy: 1.7356310579231207
Energy: 1.6135209391760446
Energy: 1.6460789153387951
Energy: 1.6099319938332168
Energy: 1.736970824091949
Energy: 1.6874394793506056
Energy: 1.679985649179999
Energy: 1.9298355288825542
Energy: 1.7026057411964364
Energy: 1.57981740553661
Energy: 1.6805643682769649
Energy: 1.6436303450943053
Energy: 1.379946202293826
Energy: 1.5259837546558639
Energy: 1.6152288439315134
Energy: 1.2763034460811729
Energy: 1.380206982561076
Energy: 1.581948279666573
Energy: 1.3051418539834343
Energy: 1.3870206484964933
Energy: 1.3826182481732514
Energy: 1.641827955047152
Energy: 1.3792574324267703
Energy: 1.2922711831121845
Energy: 1.7762539839650895
Energy: 1.4587641324932288
Energy: 1.596711589932149
Energy: 1.61301753027009
Energy: 1.4914864045918412
Energy: 1.3515772154070056
Energy: 1.6789008158275376
Energy: 1.5030821778124739
Energy: 1.6868978253212283
Energy: 1.6936940692992142
Energy: 1.6957608874242929
Energy: 1.6654175601747205
Energy: 1.5565991914740545
Energy: 1.5036294438453004
Energy: 1.8144703639560478
Energy: 1.5831333652913282
Energy: 1.6637618630135005
Energy: 1.8353134438584866
Energy: 1.5507586212050686
Energy: 1.759386837549029
Energy: 1.829518064027522
Energy: 1.6381663400111812
Energy: 1.7572978615038655
Energy: 1.9358678592208363
Energy: 1.6852952584316048
Energy: 1.790042806680344
Energy: 1.7248828533051628
Energy: 1.7651025569191214
Energy: 1.7604478844818132
Energy: 1.7841348217473405
Energy: 1.602101513090868
Energy: 1.7195274636785354
Energy: 1.807756092293774
Energy: 1.8414844726871962
Energy: 1.7923103606386428
Energy: 1.9413729478258326
Energy: 1.8907133569317138
Energy: 1.9060318765236353
Energy: 1.7880749996229441
Energy: 2.011736947538135
Energy: 2.14104593595127
Energy: 1.752569855499772
Energy: 1.8294362012477312
Energy: 1.6931132104383213

minimum gb energy = 1.2763034460811729 eV
minimum distance =  2.24855802797607 Angstroms
sigma value = 41


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

Energy: 1.989873191511565
Energy: 1.8265884724925918
Energy: 1.9779852855054973
Energy: 2.0012451210357147
Energy: 2.4895878587256157
Energy: 2.1468754493906816
Energy: 1.8758556839683935
Energy: 2.2033314552102157
Energy: 2.4592814709524613
Energy: 2.0901918206654173
Energy: 2.272532465941225
Energy: 2.221598856840952
Energy: 2.224749269099444
Energy: 1.8949033689355086
Energy: 2.0418510953766478
Energy: 1.8313828294519996
Energy: 1.9941457558470348
Energy: 1.9567334464938566
Energy: 2.300490791569011
Energy: 1.8962988441709496
Energy: 1.8401754678668705
Energy: 2.3941427939722426
Energy: 1.909660405490415
Energy: 2.2250676411569996
Energy: 2.1571027453659966
Energy: 1.89948425305005
Energy: 1.9016620470447716
Energy: 2.0214074274340743
Energy: 2.090351224808622
Energy: 1.8946202696214498
Energy: 2.071870221256817
Energy: 1.6633143355902034
Energy: 1.8530274970302931
Energy: 1.918153639084858
Energy: 2.011517630131272
Energy: 1.8619940301268103
Energy: 1.6052226331945705
Energy: 1.8558290529398682
Energy: 1.9676155360764027
Energy: 1.6133496521911603
Energy: 1.887285844167983
Energy: 1.817012046206794
Energy: 1.5568939044830357
Energy: 1.8134016368572226
Energy: 1.7222768969611548
Energy: 1.568652662816761
Energy: 1.696147346037835
Energy: 1.5870398442763358
Energy: 1.775123511397879
Energy: 1.842082161207999
Energy: 1.838422630802565
Energy: 1.7770955773803818
Energy: 1.7918131050082524
Energy: 1.8594728708105173
Energy: 1.8035648300005498
Energy: 1.5370295263857454
Energy: 1.6042846630049916
Energy: 1.8336241725256655
Energy: 1.4606722311955185
Energy: 1.8005278199843857
Energy: 2.187244956910659
Energy: 1.881622524487186
Energy: 1.6912424545149363
Energy: 1.8593253114287571
Energy: 1.877542087833038
Energy: 1.7126855621602468
Energy: 1.7238288495653764
Energy: 1.631139627314476
Energy: 1.6034483084227307
Energy: 1.682422207497707
Energy: 1.7867364553027418
Energy: 1.6284200310329868
Energy: 1.7585850396778007
Energy: 2.0450608010735785
Energy: 1.8087452726976236
Energy: 1.9348514134695785
Energy: 1.9670271760948315
Energy: 1.8004088157139255
Energy: 1.833181626509849
Energy: 2.132991233726417
Energy: 2.0041542145281417
Energy: 1.844358438556409
Energy: 2.4414667554211986
Energy: 2.100022204860463

minimum gb energy = 1.4606722311955185 eV
minimum distance =  2.19912710238858 Angstroms
sigma value = 11


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

Energy: 2.0689541957472652
Energy: 2.4286436431804854
Energy: 2.2550391087771824
Energy: 1.9857956336466114
Energy: 2.5859028203627763
Energy: 1.959923024584256
Energy: 2.401299903274677
Energy: 2.2764105675151285
Energy: 2.3999971089727627
Energy: 2.3801814913884485
Energy: 2.3074482873217157
Energy: 2.452441826603819
Energy: 2.0350666155913952
Energy: 2.01467517650944
Energy: 2.0925527806263737
Energy: 2.017055302765592
Energy: 2.0876449731370497
Energy: 2.3435990771639283
Energy: 2.312066491006393
Energy: 2.0185658420198385
Energy: 2.140658002558741
Energy: 2.2842483433891068
Energy: 1.9879682852014875
Energy: 2.3418462821532824
Energy: 1.986589369815206
Energy: 1.891304905183445
Energy: 1.7328092085399707
Energy: 1.8274942469128812
Energy: 1.685081361097937
Energy: 1.8531176570328207
Energy: 2.115655287293623
Energy: 1.477247164889063
Energy: 1.5997854682991335
Energy: 2.1092337228228404
Energy: 1.4327418825590554
Energy: 1.5853857793129553
Energy: 1.475610033329562
Energy: 1.8984805493901504
Energy: 1.6406992516680883
Energy: 1.431646698680144
Energy: 1.9589860768659657
Energy: 1.7501402632312133
Energy: 1.8654066315711797
Energy: 1.8805165253111509
Energy: 1.8849801701042794
Energy: 1.9082053501393184
Energy: 2.078787894445405
Energy: 1.8543630061818739
Energy: 2.023232910656812
Energy: 2.138583064422936
Energy: 2.1923169407928356
Energy: 1.9775038579227333
Energy: 1.9257459681137767
Energy: 2.1243279088047387
Energy: 2.050882084408109
Energy: 2.1461591224397476
Energy: 2.129851766512071
Energy: 2.0018090195723426
Energy: 2.161740211269697
Energy: 2.069405085109249
Energy: 2.6017044619152605
Energy: 2.2953281269768944
Energy: 2.4366455584351328
Energy: 2.4733971058949704
Energy: 2.292887590125439
Energy: 2.5779266193477564
Energy: 2.4131153203788145
Energy: 2.0791730388031278
Energy: 2.1670269767947574
Energy: 2.602020014827462
Energy: 2.013782958169439
Energy: 2.084405301881802
Energy: 2.1846670390433496
Energy: 2.2633547921207997
Energy: 2.178985268912534
Energy: 2.2011891136280712
Energy: 2.447168642863115
Energy: 2.1639955671614723
Energy: 2.026877551323197
Energy: 1.8729013913076396
Energy: 1.9810525356846636
Energy: 1.9209963158393892
Energy: 1.9424700163735769
Energy: 2.1340211289557303
Energy: 2.0922393098636776
Energy: 2.086743303497317
Energy: 1.9967914480352082
Energy: 2.071891114447218
Energy: 2.047878675917731
Energy: 2.047984471429644
Energy: 1.7441389630439321
Energy: 1.7942716575208622
Energy: 1.810576456380284
Energy: 1.6089791779107745
Energy: 1.7808253592450178
Energy: 1.7739952232992193
Energy: 1.6522778613912439
Energy: 2.00595121840389
Energy: 1.7079473030623973
Energy: 1.6021720931894654
Energy: 2.0509539385601143
Energy: 1.6895904481828636
Energy: 2.00069343812561
Energy: 1.5651215148359776
Energy: 1.7013315039485828
Energy: 1.9478889265591552
Energy: 1.5175393369502055
Energy: 1.7704848253814973
Energy: 2.097815851206572
Energy: 2.062625610215526
Energy: 2.087106318274451
Energy: 2.1035116716114737
Energy: 2.0822678180098895
Energy: 1.893330717265336
Energy: 2.3979718969904757
Energy: 2.111180946918139
Energy: 2.038249242887137
Energy: 2.06527206234348
Energy: 2.097014575367995
Energy: 2.1761856964771673
Energy: 2.4744275621025826
Energy: 2.0965837000574603
Energy: 2.1546110691119367
Energy: 2.4443162643905403
Energy: 2.1102934279731773
Energy: 2.2876506477775025
Energy: 2.153825543427969
Energy: 2.8849542828095918
Energy: 2.321866672716465
Energy: 2.184076217881459
Energy: 2.491652670173382
Energy: 2.207502344124542
Energy: 2.067491455502985
Energy: 2.3626622809113367
Energy: 2.170678385456306
Energy: 2.121357924015432
Energy: 2.1756762929017226
Energy: 2.174475184877808
Energy: 2.15004712649205
Energy: 2.1330363234502205
Energy: 2.0198626027105546
Energy: 2.132740632381669
Energy: 2.119112680258388
Energy: 1.8849801915404245
Energy: 1.5602743130162087
Energy: 1.7909092794755912
Energy: 1.8018848419923983
Energy: 1.569867884915417
Energy: 1.8788896230119185
Energy: 1.7744431450098685
Energy: 2.0898788154320145
Energy: 1.6213360223986937
Energy: 1.7632886564952344
Energy: 2.2432934637996818
Energy: 1.6477182886142268
Energy: 1.7978220232229112
Energy: 1.9056612865915332
Energy: 1.8094242422795168
Energy: 1.851168819379026
Energy: 1.7294852269814496
Energy: 1.513991997473247
Energy: 1.8792755318354855
Energy: 2.2825517945149034
Energy: 1.8584807849483373
Energy: 1.8908116049456358
Energy: 2.1591979806818116
Energy: 1.904971154095411
Energy: 2.1634608827926662
Energy: 1.7176186578160373
Energy: 1.9397297958538822
Energy: 1.8547988501032855
Energy: 1.8024580821155325
Energy: 1.9144801183799969
Energy: 1.9461753325722113
Energy: 2.5891631835962445
Energy: 2.0793212961403094
Energy: 2.322104860202114
Energy: 2.2585453897643135
Energy: 2.154333509732452
Energy: 2.1832825691137847
Energy: 2.141583559577028
Energy: 2.5697496846197545
Energy: 2.258542014629553
Energy: 2.1105184536613453
Energy: 2.3794832823826013
Energy: 2.3596680925530236

minimum gb energy = 1.431646698680144 eV
minimum distance =  2.13861356206899 Angstroms
sigma value = 57


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

Energy: 1.697609929927905
Energy: 1.5434723158810018
Energy: 1.8469603600897933
Energy: 1.855511124044339
Energy: 2.496983273193297
Energy: 1.9106358205653828
Energy: 1.602865902820733
Energy: 2.011794033926222
Energy: 2.2345689312432317
Energy: 2.17102907217527
Energy: 2.3046553670461405
Energy: 1.9500033330158626
Energy: 2.460634643908749
Energy: 2.109888592130042
Energy: 2.210453648647195
Energy: 2.5204743423143507
Energy: 1.8355618045332853
Energy: 1.9752494376010103
Energy: 2.630373452462696
Energy: 2.6344052115145766
Energy: 2.2168640052557547
Energy: 2.5965063961122232
Energy: 2.02699941469688
Energy: 2.2253150909915735
Energy: 1.999861770702807
Energy: 2.0768814342986617
Energy: 2.0687024406411143
Energy: 2.236853365245787
Energy: 1.927303827247223
Energy: 2.16400800909948
Energy: 2.007190638843462
Energy: 1.9947010135111896
Energy: 2.1245497728463976
Energy: 2.152602144956258
Energy: 1.776543094569388
Energy: 1.9710760482276315
Energy: 1.9305149808189994
Energy: 1.9428217088031643
Energy: 1.7960962088516765
Energy: 1.613030544436493
Energy: 1.9422343238783257
Energy: 1.5564060355510814
Energy: 2.1878618718988903
Energy: 1.8375008752290158
Energy: 1.9797726189615155
Energy: 2.083582742422841
Energy: 1.8317259902566294
Energy: 1.9636521489486203
Energy: 2.034902104968249
Energy: 2.2025751729887
Energy: 2.0040578205635495
Energy: 2.1216893795389753
Energy: 2.0129008637592665
Energy: 2.0197795146574147
Energy: 2.111297950065599
Energy: 2.2893197905687375
Energy: 2.059054016809903
Energy: 2.016540475482668
Energy: 1.8769701625304185
Energy: 1.9029438069494862
Energy: 2.6628265706589263
Energy: 2.0948807292877913
Energy: 2.087386717152532
Energy: 2.6283256583696457
Energy: 2.0871700943024014
Energy: 2.433121833699048
Energy: 2.9862909874842063
Energy: 2.120380997367189
Energy: 1.9565313017697743
Energy: 2.255287578950182
Energy: 1.966245884904374
Energy: 2.2885887805412666
Energy: 1.8278884684899661
Energy: 2.3109875687843955
Energy: 2.264100711110721
Energy: 2.5175156028797447
Energy: 1.9760877791529405
Energy: 2.007389658745594
Energy: 2.1271719987078477
Energy: 1.9429362054624308
Energy: 2.0159238693810795
Energy: 2.385818380737374
Energy: 1.969388418684649
Energy: 2.1357161808439766
Energy: 1.8183692926198185
Energy: 1.7823759861996955
Energy: 2.0597946995323713
Energy: 2.2984767586095454
Energy: 1.7480536495803864
Energy: 2.238614851362302
Energy: 2.071801732471366
Energy: 2.0088914333134045
Energy: 2.0786092091809056
Energy: 2.043348786089052
Energy: 1.8184795323652445
Energy: 1.6739394755768473
Energy: 1.6179039445230459
Energy: 2.026522218144424
Energy: 2.0642510500742226
Energy: 1.6333139103118504
Energy: 2.18940881051624
Energy: 1.893786015120437

minimum gb energy = 1.5434723158810018 eV
minimum distance =  2.14671579670661 Angstroms
sigma value = 9


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

Energy: 2.2056114950465346
Energy: 2.531548150616454
Energy: 2.1003727346695777
Energy: 2.2393459319484004
Energy: 2.8283402221460534
Energy: 2.2165718396588168
Energy: 1.906613520439174
Energy: 2.2244500484118745
Energy: 2.4327513271256227
Energy: 2.1794394171895246
Energy: 2.2523143911373458
Energy: 2.331748508214075
Energy: 2.09466608703221
Energy: 1.829724654182933
Energy: 2.04582079401849
Energy: 2.0180954957219197
Energy: 1.7326548508430326
Energy: 1.9942570284013674
Energy: 2.3900926630150208
Energy: 2.139026148399489
Energy: 2.1816391327428044
Energy: 2.2836116171689986
Energy: 2.104497160066625
Energy: 1.9092120648535096
Energy: 1.9146156632905302
Energy: 1.6388546699371238
Energy: 1.7401564517888906
Energy: 1.8574027280222283
Energy: 1.5961018509018643
Energy: 1.8534074840737973
Energy: 2.197871255421495
Energy: 1.7452353035000354
Energy: 1.6472670010329797
Energy: 2.27975087104175
Energy: 1.6686256400688098
Energy: 2.0178387114669385
Energy: 2.21367627274911
Energy: 1.8095767053884593
Energy: 2.252190365461005
Energy: 2.2967114246052427
Energy: 1.7631088865319522
Energy: 2.235545810668381
Energy: 1.854823364821515
Energy: 2.0273849225825793
Energy: 1.8693226473464284
Energy: 2.27204912767443
Energy: 1.9266147896601808
Energy: 2.0731974619386335
Energy: 2.1804766480761084
Energy: 2.2510003721841394
Energy: 2.135636292325934
Energy: 2.2159844837151863
Energy: 2.4780206871044217
Energy: 2.1390042009583192
Energy: 2.1631200862719937
Energy: 2.2333448728687237
Energy: 2.204323545793205
Energy: 2.1785039753360627
Energy: 2.0585454641835845
Energy: 2.2169803525616136
Energy: 1.7767905923654204
Energy: 1.6756623260066312
Energy: 1.623115474169916
Energy: 1.6660439353993055
Energy: 1.6804814347303703
Energy: 1.6429893977177372
Energy: 1.6566829976135833
Energy: 1.7407721087650379
Energy: 1.839119835741301
Energy: 1.5592385060874905
Energy: 1.741702584728601
Energy: 1.7452906131725214
Energy: 1.9221872596070722
Energy: 1.6656024078056402
Energy: 1.7905612668253101
Energy: 1.976907980370359
Energy: 1.770124315026738
Energy: 1.9373736187461057
Energy: 2.0937128149122857
Energy: 2.0823965037769234
Energy: 2.041829635633373
Energy: 1.98023102564764
Energy: 2.051225879226846
Energy: 2.0295754726926867
Energy: 2.5304402841633014
Energy: 2.553136307499237
Energy: 2.5726567131795792
Energy: 2.448790355947744
Energy: 2.518988486658023
Energy: 2.2006705206354624
Energy: 2.0816551205985157
Energy: 2.1714104858043006
Energy: 2.51783513416809
Energy: 2.3217255984498033
Energy: 2.099610031446943
Energy: 2.3218576786628358
Energy: 2.0410321640513778
Energy: 1.8878111886580489
Energy: 2.0218761403887093
Energy: 1.9157298978203132
Energy: 1.9073539588064123
Energy: 1.9149831259394205
Energy: 1.7865730420314516
Energy: 1.6672811146487232
Energy: 1.8365902510114145
Energy: 1.8950159749984434
Energy: 1.5983745019190436
Energy: 1.759978466429793
Energy: 1.9022080826373522
Energy: 2.024983334914939
Energy: 1.9890425646681698
Energy: 1.7149856845463045
Energy: 1.9192051081728616
Energy: 1.951995108559064
Energy: 2.0288766517079733
Energy: 1.8343216305927184
Energy: 1.821395593092074
Energy: 1.7304563228400796
Energy: 1.982855246825904
Energy: 1.931905967172563
Energy: 2.368925075977516
Energy: 2.2561903040260773
Energy: 2.2454919338577515
Energy: 2.3088939668033146
Energy: 2.2269140397267195
Energy: 2.1558517869955596

minimum gb energy = 1.5592385060874905 eV
minimum distance =  2.18225035174475 Angstroms
sigma value = 27


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

Energy: 1.7933683921291856
Energy: 1.8000595928077705
Energy: 1.7910786089732444
Energy: 1.7742729779302342
Energy: 2.419909816935059
Energy: 1.8009007056363262
Energy: 1.8361390328542588
Energy: 1.9320831582938705
Energy: 2.1377057038868625
Energy: 2.229069562608997
Energy: 2.1887552400120494
Energy: 2.3969812991857187
Energy: 2.5932968903256186
Energy: 2.5637977047823988
Energy: 2.626373857356348
Energy: 2.6282217729153077
Energy: 1.7140030552540408
Energy: 2.7825667321094
Energy: 2.714798221227701
Energy: 2.1528032774112247
Energy: 2.1095092921245677
Energy: 2.8190930607626674
Energy: 2.0961284265600746
Energy: 2.509175818301952
Energy: 1.9209788257770835
Energy: 1.8836593532078942
Energy: 1.8003481720336123
Energy: 1.865829573047806
Energy: 1.9220299140393113
Energy: 2.035983069311321
Energy: 1.8802755342135216
Energy: 1.895983370177815
Energy: 1.8265662999219288
Energy: 1.9026457522093998
Energy: 1.9232053846353272
Energy: 1.8254062234107773
Energy: 1.7953370970360865
Energy: 1.6351135204727016
Energy: 1.8610537119103032
Energy: 1.7017651009206336
Energy: 1.7001454015436661
Energy: 1.6322120182275888
Energy: 2.1082049295079215
Energy: 2.1065250568481
Energy: 2.1465331365720344
Energy: 2.0257296432576686
Energy: 2.0577156931776703
Energy: 1.9080864699922437
Energy: 2.721383155674802
Energy: 2.5533601203288923
Energy: 2.622972315241674
Energy: 2.0868265728846107
Energy: 2.6108088155220504
Energy: 2.562894249796487
Energy: 2.1487778282030328
Energy: 2.6259672888346786
Energy: 2.6375227942891413
Energy: 2.094656697896314
Energy: 2.607988188329059
Energy: 2.1894558539156517
Energy: 2.133803546095665
Energy: 2.0706536970491185
Energy: 2.1458379129166514
Energy: 2.072581604819311
Energy: 1.7304677786141833
Energy: 1.932100538391718
Energy: 1.767397531961797
Energy: 1.5727914662848859
Energy: 1.6054059076322833
Energy: 1.7280834491179635
Energy: 1.6759100943263046
Energy: 1.556361183229042
Energy: 1.7255894712722222
Energy: 1.388090648201274
Energy: 1.4179696547367795
Energy: 1.6157667187119429
Energy: 1.3922267361162342
Energy: 1.4330840680784462
Energy: 1.7050702720364272
Energy: 1.5518248289388026
Energy: 1.5577818523554143
Energy: 1.7224277578702
Energy: 1.8119046830774772
Energy: 1.7754661618864036
Energy: 2.588457027771484
Energy: 2.4684883851407506
Energy: 2.5366968349339554
Energy: 2.6674201749172135
Energy: 2.575332801351887
Energy: 1.9927840459121886
Energy: 2.6107041835135263
Energy: 2.447809312057858
Energy: 2.7278969019093586
Energy: 2.67913373526239
Energy: 2.7400103805094367
Energy: 2.9471173807060387
Energy: 1.8092459880266356
Energy: 1.9527778094341333
Energy: 1.9935523468809397
Energy: 1.7283023503602883
Energy: 2.1104478610511364
Energy: 2.0360753672003553
Energy: 1.7808737309876657
Energy: 1.9095137964768931
Energy: 1.7529908883033474
Energy: 1.7911870895974589
Energy: 2.066090522800147
Energy: 1.73546833698734
Energy: 1.847530524120991
Energy: 1.9000118555247012
Energy: 1.9327886084150296
Energy: 1.8428658782289966
Energy: 1.8585492876152903
Energy: 1.6745660746021405
Energy: 1.9093876767524982
Energy: 1.6940106130180692
Energy: 1.8850114783012755
Energy: 1.9610712684322877
Energy: 1.900394283037452
Energy: 1.622583459542331
Energy: 1.9410086367370671
Energy: 1.959252094164988
Energy: 2.0678396808141515
Energy: 2.0204663422713307
Energy: 2.7727242721717786
Energy: 2.143610603879126
Energy: 1.7227421795059943
Energy: 2.5452495987315906
Energy: 2.741730987668367
Energy: 1.7307920018318863
Energy: 2.3895225741967603
Energy: 2.784234793823517
Energy: 1.9117259961047393
Energy: 1.9615198759350396
Energy: 2.0804719523479474
Energy: 1.9464857956495674
Energy: 1.8687950471772445
Energy: 1.9932310191430453
Energy: 1.990702901063983
Energy: 1.791334856511838
Energy: 1.8853997496765593
Energy: 1.8984428560840194
Energy: 1.8404552585903518
Energy: 1.8747128509545
Energy: 2.094147027718424
Energy: 2.1814701807921644
Energy: 2.3072252824767516
Energy: 2.11791654626006
Energy: 2.1417936571079887
Energy: 2.2501538059325643

minimum gb energy = 1.388090648201274 eV
minimum distance =  2.31327343291802 Angstroms
sigma value = 19


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

Energy: 2.107444826608998
Energy: 2.7273322684767853
Energy: 2.3997040397947313
Energy: 2.1066911212548276
Energy: 3.026022441044917
Energy: 2.4431164091294115
Energy: 2.023163567481744
Energy: 2.2594529583775254
Energy: 2.2756858279236973
Energy: 1.957695668654753
Energy: 2.3553184470173893
Energy: 2.123003566243243
Energy: 1.822119304750713
Energy: 1.7579114767647885
Energy: 1.7650623907057734
Energy: 1.7044863437669744
Energy: 1.6057277014132398
Energy: 1.6173259190198166
Energy: 1.918770926238263
Energy: 1.8042383829070743
Energy: 1.9442727814110154
Energy: 1.7884384775461863
Energy: 1.8337442427468413
Energy: 1.901840450147377
Energy: 1.4767442587071136
Energy: 1.5821279935403283
Energy: 1.5961894424344902
Energy: 1.4079895501489892
Energy: 1.5700566035198176
Energy: 1.7655917413750117
Energy: 2.1998584224084308
Energy: 1.941852674733619
Energy: 1.8183193315987307
Energy: 2.208667099245581
Energy: 1.9480116219633594
Energy: 1.867777135123726
Energy: 2.540011610498138
Energy: 2.382884688570345
Energy: 2.284506737785448
Energy: 2.4922965353134248
Energy: 2.2366336787691097
Energy: 2.364913814169802
Energy: 2.15096674596045
Energy: 2.411663744549629
Energy: 2.0233692754898875
Energy: 2.3074670790220946
Energy: 2.2156672131450734
Energy: 2.392934684577556
Energy: 1.6559225714376589
Energy: 1.6047729061534262
Energy: 1.552815793614292
Energy: 1.6491718699233273
Energy: 1.604278894828749
Energy: 1.5263147260793806
Energy: 2.0520528877855466
Energy: 1.7975883704157134
Energy: 1.8261984278421417
Energy: 1.789276418648306
Energy: 1.5512283287405328
Energy: 1.7933144550123423
Energy: 1.8303117301246885
Energy: 1.8017540620662835
Energy: 1.7494065382038986
Energy: 1.8336437123300677
Energy: 1.6769836965921487
Energy: 1.7683860752788043
Energy: 2.139208089917088
Energy: 1.9003000283644893
Energy: 2.054409089140583
Energy: 1.9960775709682606
Energy: 1.9430424430706936
Energy: 1.9170064615022875
Energy: 2.1566425368013524
Energy: 2.4961348572025743
Energy: 2.1846692818216527
Energy: 2.068089475767702
Energy: 2.5251875402312085
Energy: 2.1815858867570075
Energy: 2.195500059952921
Energy: 2.041838506244165
Energy: 2.0923125863175165
Energy: 2.0892426491276903
Energy: 2.3571104007768686
Energy: 2.1515937033170385
Energy: 1.5568997772726831
Energy: 1.6037164700627182
Energy: 1.5796251644827293
Energy: 1.5447417416258635
Energy: 1.5731432991479148
Energy: 1.5650286047176996
Energy: 1.5736156288646388
Energy: 1.943317493975064
Energy: 1.8552984777843842
Energy: 1.6135493176907396
Energy: 1.906061745358624
Energy: 1.6508796041011113
Energy: 1.9531462023127506
Energy: 2.0886360374171664
Energy: 2.0860566933823597
Energy: 1.7868213168250797
Energy: 2.1217647473445163
Energy: 2.073877907905827
Energy: 1.8306498786066148
Energy: 2.040728811663013
Energy: 1.9146976093997832
Energy: 1.774711179284304
Energy: 2.1001577073212254
Energy: 1.990759693368393
Energy: 2.144972089322637
Energy: 2.088200765656866
Energy: 2.096742256986728
Energy: 2.187376924460095
Energy: 2.0874554258940647
Energy: 2.0638177198151015
Energy: 2.1667178154172695
Energy: 2.1548602946358106
Energy: 2.21295169655857
Energy: 2.1183535207975583
Energy: 2.097700681729123
Energy: 2.1047342616081544
Energy: 1.5454171597873683
Energy: 1.4995612299509773
Energy: 1.514200379935239
Energy: 1.4730038299448842
Energy: 1.4959717823287872
Energy: 1.5973876318145357
Energy: 1.6880675966707963
Energy: 1.580262683714153
Energy: 1.5327410574185099
Energy: 1.818225302026066
Energy: 1.6053341739809237
Energy: 1.6527786069271744
Energy: 2.640085920654773
Energy: 2.281472909999759
Energy: 2.2428984949062087
Energy: 2.4291840472167903
Energy: 2.1986536578290585
Energy: 2.223828120029945
Energy: 2.2047700436440683
Energy: 2.2300864103863463
Energy: 2.2219647839016883
Energy: 2.3134843289409606
Energy: 2.187377456812716
Energy: 2.2962606650941355
Energy: 1.9426747819804846
Energy: 1.9593026707830288
Energy: 1.7750762984790645
Energy: 2.0264757178927626
Energy: 1.8537641982007662
Energy: 2.0430126081095046
Energy: 1.878304203639832
Energy: 1.8189769356522945
Energy: 1.8820782098965818
Energy: 1.9046188067109817
Energy: 1.8784029046593564
Energy: 1.9386665601533901
Energy: 1.5101527515450113
Energy: 1.6466137866119077
Energy: 1.663076157682241
Energy: 1.4989968292924787
Energy: 1.7129701134497988
Energy: 1.5113146752270272
Energy: 1.6876363723872982
Energy: 1.6853725819060554
Energy: 1.8151071413469315
Energy: 1.6810268944145603
Energy: 1.7027268593528069
Energy: 1.6108658451065978
Energy: 2.3452745137288122
Energy: 2.20739665711855
Energy: 2.446796577278597
Energy: 2.408871295891128
Energy: 2.2161582586610526
Energy: 2.5524410626879916

minimum gb energy = 1.4079895501489892 eV
minimum distance =  2.23516066509272 Angstroms
sigma value = 101


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

Energy: 1.9032207564868702
Energy: 2.3140420451278585
Energy: 2.358883390712808
Energy: 1.9134760514122993
Energy: 2.947078410198725
Energy: 1.9350534963673718
Energy: 2.046032988655369
Energy: 2.0835468837453948
Energy: 2.1343980470190735
Energy: 2.0951102833516426
Energy: 2.1241971563426887
Energy: 2.1219735122712224
Energy: 1.913800334834836
Energy: 1.7459254428680744
Energy: 1.6555030637188881
Energy: 1.7737997569127952
Energy: 1.7415769508454852
Energy: 1.6377346447882895
Energy: 1.864921440324582
Energy: 1.7407196222945716
Energy: 2.0884775036938046
Energy: 1.9306078573212178
Energy: 1.7827486427501715
Energy: 2.0412255007826543
Energy: 1.3349216701760007
Energy: 1.8015920196359392
Energy: 1.7175304179333968
Energy: 1.2950269424450793
Energy: 1.621176609080132
Energy: 1.5450766739447255
Energy: 1.699379595593392
Energy: 1.9193327610848259
Energy: 1.9845662426411277
Energy: 1.8442388121740818
Energy: 1.6882818334281513
Energy: 1.8480758640540547
Energy: 2.811274002151714
Energy: 2.16228964490015
Energy: 2.1918289400898043
Energy: 2.564006541979537
Energy: 2.1390145234099793
Energy: 2.137165483557307
Energy: 2.5451533269554076
Energy: 2.099234527922378
Energy: 2.0574745140924757
Energy: 2.6623123538363886
Energy: 2.1660480375709152
Energy: 2.4567578478984666
Energy: 1.4701560187052818
Energy: 1.61476293949637
Energy: 1.5101656414917148
Energy: 1.5560034890162053
Energy: 1.6296476835041167
Energy: 1.6668495808247767
Energy: 1.901431516100248
Energy: 1.7561091746354163
Energy: 1.6901411125391474
Energy: 1.9229509948207264
Energy: 1.5695918059301164
Energy: 1.7918703295962548
Energy: 2.1066385770826606
Energy: 1.9052217998028182
Energy: 1.892156859935434
Energy: 2.020012225213437
Energy: 1.8673908172254945
Energy: 1.8774531248111708
Energy: 1.9666304185389372
Energy: 1.8469715424794506
Energy: 2.0884214694625682
Energy: 1.9711718471346933
Energy: 2.0368477306063815
Energy: 2.002218611245938
Energy: 1.8250442114862366
Energy: 2.078755060253967
Energy: 2.2551881153606583
Energy: 1.8277841915094268
Energy: 1.9878127611114937
Energy: 2.35409786933107
Energy: 2.0388698025623824
Energy: 2.236742743673258
Energy: 1.9495145743890718
Energy: 2.0686738517254626
Energy: 2.002982142415007
Energy: 1.9601647913073594
Energy: 1.5920039116115572
Energy: 1.4791128947271295
Energy: 1.467418408063911
Energy: 1.6187002506158599
Energy: 1.516307003323702
Energy: 1.4617713708579685
Energy: 1.7908242388927256
Energy: 2.020367679333552
Energy: 1.8764241066486111
Energy: 1.7527897624899065
Energy: 2.0333163660551907
Energy: 1.794829881959331
Energy: 2.065512148569404
Energy: 2.6970672733307803
Energy: 2.3623689049983048
Energy: 2.040435985348006
Energy: 2.649476323406934
Energy: 1.9486244195030675
Energy: 1.825890831779126
Energy: 2.2249401110124096
Energy: 2.1085870057671907
Energy: 1.843050322084921
Energy: 2.2166204917047905
Energy: 1.8222189126036217
Energy: 2.1427401387369738
Energy: 1.8013429854820382
Energy: 1.8894543657610583
Energy: 1.8181606183217935
Energy: 1.9608766101642077
Energy: 1.7435145360048265
Energy: 1.5883013704694986
Energy: 1.9095587038868433
Energy: 2.026348531553695
Energy: 1.7434899308264042
Energy: 2.016309235610224
Energy: 1.846218926433765
Energy: 1.3738448715744354
Energy: 1.7180410961289316
Energy: 1.7435176582600949
Energy: 1.4059599855750913
Energy: 1.618011450507603
Energy: 1.5403151135460584
Energy: 1.7491444385086228
Energy: 1.6951915943566709
Energy: 1.7702271549001198
Energy: 1.6741711479208492
Energy: 1.7534336585758061
Energy: 1.7053381492155828
Energy: 2.765281313813726
Energy: 2.377171269500527
Energy: 2.3548040313297007
Energy: 2.9263842092402634
Energy: 2.3721281502693192
Energy: 2.1622394713232653
Energy: 2.618954282102168
Energy: 2.4132849482255665
Energy: 2.5071556832801787
Energy: 2.681640872561739
Energy: 2.3566178718604744
Energy: 2.157802364434815
Energy: 1.6771176162790526
Energy: 1.6558035744164838
Energy: 1.5356213900628448
Energy: 1.6399520343684537
Energy: 1.6726373619073547
Energy: 1.5908568447588094
Energy: 1.7474663783182607
Energy: 1.5060546641416253
Energy: 1.505874632618176
Energy: 1.7142955232553023
Energy: 1.6101855899623019
Energy: 1.5743586259684161
Energy: 2.0469378451180567
Energy: 2.0788165374555096
Energy: 2.047460814941946
Energy: 2.0908393415518782
Energy: 2.058311542058531
Energy: 1.8483939958985578
Energy: 2.146502160730866
Energy: 2.1257812470712527
Energy: 2.165760677169577
Energy: 2.099981639573587
Energy: 2.0847107502520417
Energy: 2.052586493247289
Energy: 1.9581445495571443
Energy: 2.0455856074338543
Energy: 2.0394740043718143
Energy: 1.9596326614892605
Energy: 2.255248193384895
Energy: 1.9368736035300023
Energy: 1.8775232219381384
Energy: 2.020708297716917
Energy: 1.9649787435979758
Energy: 1.8834218499906212
Energy: 2.06961169902543
Energy: 2.145666786448741
Energy: 1.5653653146207402
Energy: 1.5901344968283317
Energy: 1.695599840533609
Energy: 1.54565000649551
Energy: 1.602770095539435
Energy: 1.4253441924059578
Energy: 1.6617376391400667
Energy: 1.6572544403428864
Energy: 1.8660502666491285
Energy: 1.6877948101109892
Energy: 1.8081098465932541
Energy: 1.5432186130329493
Energy: 2.1493475607763424
Energy: 2.3708867953748474
Energy: 2.430967249725933
Energy: 2.065642323956246
Energy: 2.467778140198202
Energy: 2.6385667069167202

minimum gb energy = 1.2950269424450793 eV
minimum distance =  2.28681013225173 Angstroms
sigma value = 33


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

Energy: 0.020482218041708872
Energy: 0.023142413676679418
Energy: 0.0210470317638877
Energy: 0.023114220525717554
Energy: 3.060543792027192
Energy: 0.02114773103990963
Energy: 2.22179473540583
Energy: 0.7948347983493914
Energy: 0.7956286580045102
Energy: 1.1530512393639478
Energy: 1.848220879327748
Energy: 1.3087776446936454
Energy: 1.9816920612632971
Energy: 1.1408577052838242
Energy: 1.3772081520680717
Energy: 1.311319941968118
Energy: 1.4344781463452665
Energy: 1.2451464345743877
Energy: 2.104236938975447
Energy: 0.7948347991942385
Energy: 0.7956286580045102
Energy: 1.153051362840529
Energy: 1.848220879407737
Energy: 1.308777633541351

minimum gb energy = 0.020482218041708872 eV
minimum distance =  2.38589164746144 Angstroms
sigma value = 1