Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Pt__MO_637493005914_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.921837165951729
cohesive_energy=5.850593855970826
mass=195.084
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.6330986430362e-19, 2.6181168376194e-19, 3.45329947339092e-19, 4.1868880888004996e-19, 4.832933772928319e-19, 5.409044446982039e-19, 5.925570172017299e-19, 6.38984891701782e-19, 6.807536365501619e-19, 7.18307054674488e-19, 7.52012044523946e-19, 7.821778261888979e-19, 8.090847805802939e-19, 8.33034116905326e-19, 8.54293398661872e-19, 8.72891465029344e-19, 8.88818702947938e-19, 9.0223372790442e-19, 9.13303166268726e-19, 9.22153589994942e-19, 9.28892344917546e-19, 9.33609152928042e-19, 9.3638412285813e-19, 9.37294159186242e-19, 9.363072183796979e-19, 9.33094854228528e-19, 9.272276833948199e-19, 9.18188202825792e-19, 9.05356370164086e-19, 8.87987173274892e-19, 8.651817910665359e-19, 8.358555499577999e-19, 7.98625771513542e-19, 7.51715641846656e-19, 6.929894595040201e-19, 6.198068373928019e-19, 5.2882243070120995e-19, 4.1574721258002597e-19, 2.7505687799521795e-19, 9.95836091215968e-20, -1.199586495938382e-19, -3.9635446660208997e-19, -7.471606536761939e-19, -1.196013642044562e-18, -1.77620505998508e-18, -2.53562076273474e-18, -3.5452964557152e-18, -4.912273559844e-18, -6.804332012233619e-18, -9.5000262424713e-18, -1.347448173136974e-17, -1.9598625675405e-17, -2.96003735308134e-17, -4.725203416058159e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -1.26270300404689e-25 eV

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

Energy: 0.0191707233942984
Energy: 0.020810244042422738
Energy: 0.019949776794486646
Energy: 0.019476690618664666
Energy: 0.3812170151818143
Energy: 0.01978468346522927
Energy: 0.020810244042156284
Energy: 0.11432704159905295
Energy: 0.1143859498081965
Energy: 0.11433147692306997
Energy: 0.11427503639536436
Energy: 0.11440841277354738
Energy: 0.019949776794220192
Energy: 0.11438594980846296
Energy: 0.11455604723705869
Energy: 0.020104712651473965
Energy: 0.11425581936340953
Energy: 0.11448476488843386
Energy: 0.019476690618901515
Energy: 0.11433147692306997
Energy: 0.020104712651740422
Energy: 0.01953934402710493
Energy: 0.11432968273863307
Energy: 0.01973443404359334
Energy: 0.3812170151820511
Energy: 0.11427503639509791
Energy: 0.11425581936340953
Energy: 0.11432968273863307
Energy: 0.11421973351333727
Energy: 0.11426240319629519
Energy: 0.01978468346496281
Energy: 0.11440841277354738
Energy: 0.11448476488843386
Energy: 0.01973443404335649
Energy: 0.11426240319629519
Energy: 0.019919379523877078

minimum gb energy = 0.0191707233942984 eV
minimum distance =  2.76683919416259 Angstroms
sigma value = 1


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

Energy: 1.1943559011934175
Energy: 0.8375495107071652
Energy: 0.9224452828841564
Energy: 0.8292720642288003
Energy: 0.9440241208185085
Energy: 0.9033286620568259
Energy: 1.1381742126605539
Energy: 0.8679880022528688
Energy: 0.8677447642561597
Energy: 0.8119212689915543
Energy: 0.8682482878220605
Energy: 0.8606708429900463
Energy: 0.9949268222635835
Energy: 0.8693403471826192
Energy: 0.8632016938829814
Energy: 0.7934252806326569
Energy: 0.8640528916390868
Energy: 0.842833146343579
Energy: 1.2166462752226967
Energy: 0.8183816524448052
Energy: 0.8782389371711374
Energy: 0.8634519633151837
Energy: 0.8464042023014238
Energy: 0.8695437064041298
Energy: 1.1067899608874747
Energy: 0.8644137483394811
Energy: 0.8634916501616647
Energy: 0.7717795681833309
Energy: 0.8651813981048716
Energy: 0.8577530213643678
Energy: 1.1116245923277925
Energy: 0.8575048238570063
Energy: 0.8557454200286433
Energy: 0.8523281844077609
Energy: 0.8582999893412725
Energy: 0.8580925986016668
Energy: 1.102597925782652
Energy: 0.8017715290567397
Energy: 0.801004670258462
Energy: 0.8542622537030565
Energy: 0.8086122328788794
Energy: 0.8597135378673454
Energy: 1.0460745006548147
Energy: 0.8562978637916158
Energy: 0.852934630503558
Energy: 0.8091491569096991
Energy: 0.8543953332319986
Energy: 0.8032837811641486
Energy: 0.9199989781850949
Energy: 0.8528543921102435
Energy: 0.8576010740228591
Energy: 0.8568763522949242
Energy: 0.8547306470106865
Energy: 0.8544163510159438
Energy: 0.9174913902715895
Energy: 0.8510805356229224
Energy: 0.85105849686077
Energy: 0.842752347600594
Energy: 0.7764364928317933
Energy: 0.8623876428660223
Energy: 0.9760125087760395
Energy: 0.8572451419309913
Energy: 0.863473125160753
Energy: 0.8878375297933407
Energy: 0.8514708689650509
Energy: 0.8966401925908267
Energy: 0.8683472892653556
Energy: 0.8764159644237358
Energy: 0.8715532308013821
Energy: 0.8685999399259046
Energy: 0.8471315505268581
Energy: 0.8471140197261818
Energy: 0.8650475922072445
Energy: 0.8439169689163185
Energy: 0.8852116520119585
Energy: 0.8653923823327011
Energy: 0.7975953538152332
Energy: 0.8253864272177076
Energy: 0.9077996973185165
Energy: 0.8710740687692246
Energy: 0.871708408956095
Energy: 0.8922572650784001
Energy: 0.8638364072902779
Energy: 0.8929484351823891
Energy: 0.8821250425010491
Energy: 0.8544722546054987
Energy: 0.8758750420029165
Energy: 0.8488736957843487
Energy: 0.7959376256121948
Energy: 0.8754075612476302
Energy: 0.8848639708850486
Energy: 0.8468634742415997
Energy: 0.8663409882226843
Energy: 0.8705065040004429
Energy: 0.8531276286123117
Energy: 0.8678975124257059
Energy: 1.002288484775839
Energy: 0.8517580636189006
Energy: 0.8518439323512611
Energy: 0.8489220599779341
Energy: 0.8515003942825561
Energy: 0.866869830732066
Energy: 0.9949402706415588
Energy: 0.7723131340665751
Energy: 0.7711804271532217
Energy: 0.8513252392719408
Energy: 0.8116100427567695
Energy: 0.8522486766713573
Energy: 0.9972842488387783
Energy: 0.8530930349140982
Energy: 0.8499818089297441
Energy: 0.8523482101786151
Energy: 0.8533334103321443
Energy: 0.8503265153721739
Energy: 1.0030392673440822
Energy: 0.8539500200776485
Energy: 0.8513343504701351
Energy: 0.7734051391959222
Energy: 0.8639260243961983
Energy: 0.8577210202049564
Energy: 1.1564765983085823
Energy: 0.8455135096258053
Energy: 0.872156778231916
Energy: 0.8276518173143932
Energy: 0.8718517478632748
Energy: 0.87284323196382
Energy: 0.9415724989260739
Energy: 0.8691201152047309
Energy: 0.8683056326941446
Energy: 0.7254242981379113
Energy: 0.8669255767658232
Energy: 0.8469778560796205
Energy: 1.1393221004780285
Energy: 0.8537017275152756
Energy: 0.8780709068387464
Energy: 0.7267348540040686
Energy: 0.8635395849311597
Energy: 0.864102785406508

minimum gb energy = 0.7254242981379113 eV
minimum distance =  2.58463586016951 Angstroms
sigma value = 33


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

Energy: 1.3948797652765978
Energy: 0.9640538011128283
Energy: 0.888978351608888
Energy: 0.9247180014973534
Energy: 0.8670185629642276
Energy: 0.9487196115074341
Energy: 1.0377078129535542
Energy: 0.8948800859263489
Energy: 0.8706536550584609
Energy: 0.9104386639949384
Energy: 0.8938589109255982
Energy: 0.8749373795361034
Energy: 1.061033085881801
Energy: 0.8940767977586945
Energy: 0.894640443644563
Energy: 0.9069060159875173
Energy: 0.8857318879781442
Energy: 0.8732158752720963
Energy: 1.1699618025184915
Energy: 0.9538387337021935
Energy: 0.8972119791691118
Energy: 0.8926647676861043
Energy: 0.9400527074791145
Energy: 0.9042475659749031
Energy: 1.0904719432594003
Energy: 0.9385643932682829
Energy: 0.90796717001274
Energy: 0.8620374580632034
Energy: 0.9004129568191837
Energy: 0.9369518755501092
Energy: 1.17433740915446
Energy: 0.9347609918224987
Energy: 0.9404174952571966
Energy: 0.9300796840331526
Energy: 0.9388248717051271
Energy: 0.9398056932429399
Energy: 1.1697073389143464
Energy: 0.9130697148962308
Energy: 0.9117457584730997
Energy: 0.9301583499918937
Energy: 0.9038895037750163
Energy: 0.9063012226895236
Energy: 1.0906440393490189
Energy: 0.8868161644446118
Energy: 0.8925011885042102
Energy: 0.9464091213770186
Energy: 0.8880020819324872
Energy: 0.8939635173227629
Energy: 0.9800461683898745
Energy: 0.8870162309631832
Energy: 0.9061361797171533
Energy: 0.9143283067184097
Energy: 0.8838025138287962
Energy: 0.9068836078459889
Energy: 0.972099561557215
Energy: 0.9094586140431105
Energy: 0.9122557916104741
Energy: 0.9129629379915144
Energy: 0.9248309614408515
Energy: 0.9038260948089422
Energy: 1.019206784304934
Energy: 0.8728443804615333
Energy: 0.873485807577455
Energy: 0.9631776719412818
Energy: 0.8773246448166403
Energy: 0.8953782956931923
Energy: 0.9171428102077868
Energy: 0.8704998798235127
Energy: 0.9224625175855099
Energy: 0.9141334427441236
Energy: 0.8686849530364752
Energy: 0.9144397525726156
Energy: 0.9162817843715587
Energy: 0.9180809198068663
Energy: 0.9085718272786231
Energy: 0.9147911722060356
Energy: 0.9172017165644275
Energy: 0.9099477705726682
Energy: 1.0332236663425167
Energy: 0.8892860782928896
Energy: 0.870786380491012
Energy: 0.9537292256419192
Energy: 0.8932781033237016
Energy: 0.8998419920021605
Energy: 1.0001016345044822
Energy: 0.9173377285568032
Energy: 0.9455352100002081
Energy: 0.9229278902141999
Energy: 0.9236556034874394
Energy: 0.9189889824327686
Energy: 0.9933487840488344
Energy: 0.920263679185087
Energy: 0.9508273971516366
Energy: 0.9445372645032302
Energy: 0.9268615537769676
Energy: 0.9516201262199596
Energy: 1.1339982273258786
Energy: 0.9083827678085742
Energy: 0.9246854697656168
Energy: 0.9312068604024182
Energy: 0.9079780812784729
Energy: 0.9342744569853819
Energy: 1.0315446704450026
Energy: 0.9047292636456357
Energy: 0.8916144916484283
Energy: 0.8889088703320834
Energy: 0.9342738292990409
Energy: 0.8912367201178628
Energy: 1.0366199657194064
Energy: 0.9243315535447444
Energy: 0.9096083619608275
Energy: 0.8843443787970832
Energy: 0.9250842098788522
Energy: 0.9098627735926227
Energy: 1.0519068887234924
Energy: 0.9204461706297825
Energy: 0.9162506995201098
Energy: 0.8831491394540003
Energy: 0.9227749829209942
Energy: 0.9169787668496571
Energy: 1.2296822533321705
Energy: 0.8973565125682522
Energy: 0.8421782928323431
Energy: 0.8527826553206146
Energy: 0.9371409024991413
Energy: 0.8564411004210492
Energy: 0.9529699534394849
Energy: 0.9155510083874259
Energy: 0.9088560699798715
Energy: 0.8657362563075232
Energy: 0.9124701800484402
Energy: 0.9061111910480735
Energy: 1.051088821273209
Energy: 0.9224021070515014
Energy: 0.9184081163913046
Energy: 0.9118683790894687
Energy: 0.9234118222335265
Energy: 0.931485822717433
Energy: 1.2120993151437356
Energy: 0.921680261006061
Energy: 0.891619398035507
Energy: 0.8666243135288518
Energy: 0.9230527866004884
Energy: 0.9293026102287307
Energy: 1.0630511166343743
Energy: 0.9194669389536795
Energy: 0.9203898549711101
Energy: 0.90476283879522
Energy: 0.9126941133696311
Energy: 0.9257054916113888
Energy: 1.112029470331837
Energy: 0.9252062180688169
Energy: 0.926564760779079
Energy: 0.9294440576900113
Energy: 0.936966561613049
Energy: 0.9430183380260468
Energy: 1.1734754978303186
Energy: 0.9288216355939866
Energy: 0.9225344938722142
Energy: 0.917831371243556
Energy: 0.8984377743324282
Energy: 0.9464630526680764
Energy: 1.0925677525752515
Energy: 0.8862991901159138
Energy: 0.890293145564704
Energy: 0.9697476058844242
Energy: 0.8869117358769876
Energy: 0.9106510359685492
Energy: 0.9682955703259577
Energy: 0.8860231476690025
Energy: 0.8868777281536975
Energy: 0.9244696717121157
Energy: 0.8868321241226826
Energy: 0.9111059279618431
Energy: 0.9644503091086492
Energy: 0.9140011817202988
Energy: 0.908268671764158
Energy: 0.916994247651125
Energy: 0.9214498412790216
Energy: 0.9169732790197681
Energy: 1.0066467980408709
Energy: 0.8693583204347444
Energy: 0.8737134488775387
Energy: 0.9917874119460325
Energy: 0.869343090531903
Energy: 0.8745004491491704
Energy: 0.9237646986204212
Energy: 0.8738237558421338
Energy: 0.8761197252958239
Energy: 0.9097072374417565
Energy: 0.87413918356748
Energy: 0.9075274265023064
Energy: 0.9284784148080206
Energy: 0.9130114374267895
Energy: 0.928734201264616
Energy: 0.9212632530073295
Energy: 0.916252252651563
Energy: 0.9153200970604147
Energy: 0.939841890947137
Energy: 0.9005924834989656
Energy: 0.8808501900082937
Energy: 0.9233673924326096
Energy: 0.9040963080179387
Energy: 0.9402584389845106
Energy: 0.9808851957142157
Energy: 0.9071573001019274
Energy: 0.913410254980935
Energy: 0.9171309593795581
Energy: 0.9060979954983585
Energy: 0.9225675389306784
Energy: 0.9785808315250257
Energy: 0.922126176600494
Energy: 0.9301877915054901
Energy: 0.93030830835654
Energy: 0.9210064588250609
Energy: 0.9310968282340234
Energy: 0.9823271044861767
Energy: 0.9345597737198018
Energy: 0.8686841445463801
Energy: 0.8976167342653523
Energy: 0.8579554634818742
Energy: 0.9343659139806471
Energy: 1.0461697156413359
Energy: 0.9191648384998305
Energy: 0.8791683949686837
Energy: 0.8836729040698121
Energy: 0.9637018252719383
Energy: 0.9312421190385519
Energy: 1.0311037507869716
Energy: 0.8882862625528556
Energy: 0.8978417569754338
Energy: 0.8900532626913504
Energy: 0.8942934012552385
Energy: 0.8915964838837057
Energy: 1.1009495202636421
Energy: 0.895868791009459
Energy: 0.8889116087954728
Energy: 0.9047294906907979
Energy: 0.8877888390155184
Energy: 0.8783516083395445
Energy: 1.2111642065156776
Energy: 0.8784958890881877
Energy: 0.8681813017269858
Energy: 0.825515130143321
Energy: 0.8946297251292816
Energy: 0.865768175629571

minimum gb energy = 0.825515130143321 eV
minimum distance =  2.55913660595842 Angstroms
sigma value = 51


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

Energy: 1.2503115140170686
Energy: 0.855411085611772
Energy: 0.8375596793082264
Energy: 0.8224254954231304
Energy: 0.916707171028755
Energy: 0.9040425308800787
Energy: 1.0690965336133873
Energy: 0.8860750046998422
Energy: 0.8873224368593867
Energy: 0.8632303652941303
Energy: 0.8856728744306572
Energy: 0.860247632967278
Energy: 1.0414997799188528
Energy: 0.8778502589275804
Energy: 0.8776419051705968
Energy: 0.8740798282886388
Energy: 0.8777663676516974
Energy: 0.8431398572183316
Energy: 1.1413323765802148
Energy: 0.8425292565421936
Energy: 0.8430121939887042
Energy: 0.8011821950180048
Energy: 0.8433634937764481
Energy: 0.8676223578488612
Energy: 0.9827807379726693
Energy: 0.8952810541970728
Energy: 0.8885796563714778
Energy: 0.90079756492984
Energy: 0.891111773210572
Energy: 0.8877719772381454
Energy: 0.9824591866850099
Energy: 0.8856812187844232
Energy: 0.8819521800928326
Energy: 0.8847291379436166
Energy: 0.8841234724081789
Energy: 0.8842164756274682
Energy: 0.9841945548886685
Energy: 0.8751842116839594
Energy: 0.8830881112880927
Energy: 0.8703585188276822
Energy: 0.8748900255221442
Energy: 0.8880669476123264
Energy: 1.0146102741430445
Energy: 0.8391243088012376
Energy: 0.8387094416244146
Energy: 0.8933559126499708
Energy: 0.8158770934118833
Energy: 0.8385128330164903
Energy: 0.8783671729629845
Energy: 0.8061105712677606
Energy: 0.8063841754633743
Energy: 0.8783781165595361
Energy: 0.8316661660583776
Energy: 0.8572944899122197
Energy: 0.8791240709550943
Energy: 0.8342890889946167
Energy: 0.8391746453425883
Energy: 0.8791822268501175
Energy: 0.8013018143820668
Energy: 0.87907982987695
Energy: 0.8853356368618511
Energy: 0.8411756035954463
Energy: 0.8409010684882623
Energy: 0.8861510697468493
Energy: 0.8574671720361612
Energy: 0.8740645225909588
Energy: 0.90585917541036
Energy: 0.8000135600182077
Energy: 0.8779482701382042
Energy: 0.8568151573988335
Energy: 0.8975591332374533
Energy: 0.8577226241760286
Energy: 0.9022170473925077
Energy: 0.866580369892908
Energy: 0.8655632521129125
Energy: 0.8840977334001233
Energy: 0.8525094901766418
Energy: 0.885633288889666
Energy: 0.9040174415202903
Energy: 0.8466557091441278
Energy: 0.8463264841465087
Energy: 0.8833326326585343
Energy: 0.8048871116540168
Energy: 0.805947544945478
Energy: 1.0299422406185335
Energy: 0.7778279568729451
Energy: 0.812230427177812
Energy: 0.8747533100139487
Energy: 0.8139786377617955
Energy: 0.8120849784816708
Energy: 1.0354779344770344
Energy: 0.8846507625606183
Energy: 0.8855827832718758
Energy: 0.7852413296087197
Energy: 0.8853432900430227
Energy: 0.8702471022477947
Energy: 0.983471531113579
Energy: 0.8841907681421335
Energy: 0.8849453586008719
Energy: 0.8495031546100446
Energy: 0.8849200295202813
Energy: 0.8855052803656528
Energy: 1.243026542039378
Energy: 0.8636159749708261
Energy: 0.8588314971376407
Energy: 0.7500380887229553
Energy: 0.8660281381955461
Energy: 0.8399131912216583

minimum gb energy = 0.7500380887229553 eV
minimum distance =  2.60877190589984 Angstroms
sigma value = 19


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

Energy: 1.053724754749769
Energy: 0.8268567396695526
Energy: 0.8127965650614418
Energy: 0.8822051009298949
Energy: 0.8411396933141091
Energy: 0.8122687975130379
Energy: 1.0179343096857103
Energy: 0.8422885177665651
Energy: 0.8424966118519598
Energy: 0.8402060017427669
Energy: 0.8429792009606579
Energy: 0.8434360638527499
Energy: 0.944681742375733
Energy: 0.842471024201525
Energy: 0.8430538566255737
Energy: 0.8519945681425058
Energy: 0.8435785604405952
Energy: 0.8433471054219464
Energy: 0.9249102911105295
Energy: 0.8418404378441211
Energy: 0.8422128172959026
Energy: 0.8307029085202208
Energy: 0.828130791824563
Energy: 0.8548487413128327
Energy: 0.9092717201019703
Energy: 0.8426169509149976
Energy: 0.8433372827170144
Energy: 0.8085841235922444
Energy: 0.8428353484930882
Energy: 0.8696781959728546
Energy: 0.9431570116504059
Energy: 0.7968457907551845
Energy: 0.8633541865011607
Energy: 0.8594768529791882
Energy: 0.7965632359212357
Energy: 0.858158275372093
Energy: 0.9500437288525798
Energy: 0.8695232159057619
Energy: 0.8569576260995493
Energy: 0.8585591734321283
Energy: 0.7951161256072616
Energy: 0.857819756479472
Energy: 0.9235605847669625
Energy: 0.7767698619539519
Energy: 0.7777236833148509
Energy: 0.9241695820369603
Energy: 0.7764917187864423
Energy: 0.7874706066497209
Energy: 0.8420151664275604
Energy: 0.7763683535812478
Energy: 0.785588310116337
Energy: 0.8428922958246314
Energy: 0.7764157852373276
Energy: 0.7858673035330529
Energy: 0.8414164868109872
Energy: 0.8419028423584689
Energy: 0.8430962978035093
Energy: 0.8419008558043214
Energy: 0.8546856921883914
Energy: 0.8429455751418584
Energy: 0.8329889172019022
Energy: 0.8532037804574308
Energy: 0.852625363574357
Energy: 0.832804837786791
Energy: 0.8472843155336308
Energy: 0.8177956322319768
Energy: 0.9267093920915257
Energy: 0.8685085271194101
Energy: 0.869327231043342
Energy: 0.843651929779035
Energy: 0.8512256959963247
Energy: 0.8426860202796133
Energy: 0.7948871693333504
Energy: 0.8520748610507837
Energy: 0.8531364818843128
Energy: 0.7975789651260498
Energy: 0.8531238911378857
Energy: 0.8755646767270288
Energy: 0.9107191760944529
Energy: 0.8757286589300043
Energy: 0.8729619710335624
Energy: 0.837165581213553
Energy: 0.8767817482620455
Energy: 0.857190181037777
Energy: 1.0586960878702825
Energy: 0.8422707484896885
Energy: 0.8273518288682891
Energy: 0.777338116304634
Energy: 0.8447380898072069
Energy: 0.7854041382302295
Energy: 1.0579727392615592
Energy: 0.8455301431008054
Energy: 0.7877238913218423
Energy: 0.776765109802081
Energy: 0.8436299960929508
Energy: 0.7763253961147908
Energy: 0.9120228109228242
Energy: 0.8416531200373215
Energy: 0.8419514895243886
Energy: 0.7935929557426874
Energy: 0.8439751257839695
Energy: 0.8424265461192615
Energy: 0.9196772503380859
Energy: 0.8414573815831288
Energy: 0.8420254672184011
Energy: 0.8268062201216088
Energy: 0.8384174575439804
Energy: 0.8422212612063706
Energy: 0.9189086789837004
Energy: 0.8415927435984917
Energy: 0.842581904581308
Energy: 0.8302872917317298
Energy: 0.8421694187153528
Energy: 0.8484492500375916
Energy: 0.9109251650123702
Energy: 0.7970029694791373
Energy: 0.8580618059825931
Energy: 0.8237390628421456
Energy: 0.7966502868413862
Energy: 0.8648100683708068
Energy: 0.9415701062360179
Energy: 0.8504672387436866
Energy: 0.8642314235924663
Energy: 0.8785701321260733
Energy: 0.8376268421295283
Energy: 0.8675731082518108
Energy: 0.9472946617064678
Energy: 0.8123990291809048
Energy: 0.8592257018591788
Energy: 0.8426874777637666
Energy: 0.8083828017741245
Energy: 0.8569855786830406
Energy: 0.9245314444740105
Energy: 0.8805323065645703
Energy: 0.7758109031700923
Energy: 0.9254045047891106
Energy: 0.8803580339766908
Energy: 0.8137704480488911
Energy: 0.843243848669243
Energy: 0.8399724036526791
Energy: 0.8440770224385904
Energy: 0.8436942617120919
Energy: 0.8168397958678436
Energy: 0.8425992418389165
Energy: 0.8415846292924658
Energy: 0.8058760097155448
Energy: 0.8430783301275558
Energy: 0.8442612881603645
Energy: 0.850577643626191
Energy: 0.8429926400443216
Energy: 0.9270963121126917
Energy: 0.8355591859186092
Energy: 0.8360341371938259
Energy: 0.9255171534568623
Energy: 0.8308285039859351
Energy: 0.8433098744713342
Energy: 0.9489762651646757
Energy: 0.8703232404987831
Energy: 0.8712088492986473
Energy: 0.8453017079415603
Energy: 0.8706639069869634
Energy: 0.8813694956586128
Energy: 0.7967373341936294
Energy: 0.8509703322253996
Energy: 0.8645811778469895
Energy: 0.7968422629383173
Energy: 0.8534732906018911
Energy: 0.8585979146968555
Energy: 0.9106255720913585
Energy: 0.8576724461220987
Energy: 0.8578373844522217
Energy: 0.8217397637365631
Energy: 0.8582560935115651
Energy: 0.8569653090538512
Energy: 1.0575625488681255
Energy: 0.8296729632382037
Energy: 0.787205853447084
Energy: 0.7769568471101755
Energy: 0.9067448586455256
Energy: 0.7871388708999396

minimum gb energy = 0.7758109031700923 eV
minimum distance =  2.65343529358196 Angstroms
sigma value = 27


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

Energy: 0.9298213150007156
Energy: 0.923135629985059
Energy: 0.9697328680371157
Energy: 0.828047403019568
Energy: 0.8574652447401726
Energy: 0.9706154759928705
Energy: 0.8416129084695387
Energy: 0.8055005304879203
Energy: 0.8042403635312418
Energy: 0.7915811102307811
Energy: 0.8054185384225921
Energy: 0.7640488977148635
Energy: 0.8536212824637187
Energy: 0.8042998971937735
Energy: 0.8044869520999882
Energy: 0.795451693698863
Energy: 0.8039796828196863
Energy: 0.762100956078396
Energy: 0.850254895180113
Energy: 0.7447788139782909
Energy: 0.7443489056451222
Energy: 0.7604605443264267
Energy: 0.8561640256011179
Energy: 0.743792520732289
Energy: 0.9343799670084586
Energy: 0.7228259579808498
Energy: 0.7451130528652867
Energy: 0.8142941794089517
Energy: 0.8350989534438241
Energy: 0.746661920533305
Energy: 0.8037053362166573
Energy: 0.7239914566249218
Energy: 0.7296318342598886
Energy: 0.803742476908872
Energy: 0.7071021944485575
Energy: 0.7334656720145105
Energy: 0.8041923593270479
Energy: 0.7835661423318524
Energy: 0.7614245218356942
Energy: 0.8045975310752755
Energy: 0.795044100839712
Energy: 0.7787350275757919
Energy: 0.8030471641007239
Energy: 0.8503056243913241
Energy: 0.8503105245792639
Energy: 0.8028228214806363
Energy: 0.7759422792336547
Energy: 0.8561854181469695
Energy: 0.8567067260435454
Energy: 0.7491252778700956
Energy: 0.7669774638838568
Energy: 0.8034465260763081
Energy: 0.7907658377152413
Energy: 0.7628241566071876
Energy: 0.8582181076317905
Energy: 0.7621367201553907
Energy: 0.7756858212269133
Energy: 0.7763311225524617
Energy: 0.7864760196685985
Energy: 0.7764415878999459
Energy: 0.8549421562583954
Energy: 0.8108218727162644
Energy: 0.8114663364562272
Energy: 0.8070890972002512
Energy: 0.8119362389991266
Energy: 0.7636555427766002
Energy: 0.8551859632386826
Energy: 0.7754057907896706
Energy: 0.7751691792202275
Energy: 0.8001750199979027
Energy: 0.805759420082608
Energy: 0.7632884057119307

minimum gb energy = 0.7071021944485575 eV
minimum distance =  2.61800932161698 Angstroms
sigma value = 9


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

Energy: 1.2507382253025674
Energy: 0.8282402749744551
Energy: 0.9187349643809724
Energy: 0.7753427671491877
Energy: 0.7148956933377593
Energy: 0.7754182651677098
Energy: 0.6829023495007186
Energy: 0.7114629217199993
Energy: 0.7114509193305487
Energy: 0.6943960609037606
Energy: 0.7113038353272214
Energy: 0.6849423682463086
Energy: 0.7319400034161926
Energy: 0.7061462284178122
Energy: 0.7111117843721818
Energy: 0.690761311341358
Energy: 0.7074878499293656
Energy: 0.6947377793035698
Energy: 0.8974667065132589
Energy: 0.6722508004269396
Energy: 0.6722111444296048
Energy: 0.6906539760498712
Energy: 0.700379974072719
Energy: 0.6734582556871107
Energy: 0.7735022913085586
Energy: 0.6894237317968323
Energy: 0.6384194620128129
Energy: 0.718298350805893
Energy: 0.6882314643031586
Energy: 0.691573062065574
Energy: 0.7198584523165352
Energy: 0.685300759954625
Energy: 0.709218017986034
Energy: 0.7201704096435136
Energy: 0.6853150027840479
Energy: 0.6700083448965034
Energy: 0.726330497549217
Energy: 0.6615974568844989
Energy: 0.6610927328077448
Energy: 0.726045554551984
Energy: 0.6930235327726965
Energy: 0.7383720235663819
Energy: 0.7047005667530198
Energy: 0.7041125155416977
Energy: 0.6809347177389069
Energy: 0.7049310828759343
Energy: 0.7054585194928311
Energy: 0.684967965642959
Energy: 0.7146271389879046
Energy: 0.6793549461089318
Energy: 0.7029924498440377
Energy: 0.7243603127937994
Energy: 0.6888987084216492
Energy: 0.6629802762026479
Energy: 1.0109633116217682
Energy: 0.7029208992183363
Energy: 0.6969451073558952
Energy: 0.676090376298251
Energy: 0.726649187058172
Energy: 0.6869334850453723
Energy: 0.6797979920022461
Energy: 0.723779933733291
Energy: 0.7343550490019678
Energy: 0.6741120215420767
Energy: 0.724424555406375
Energy: 0.6618234356273788
Energy: 0.7931649258253615
Energy: 0.7272256790857079
Energy: 0.7260312190253099
Energy: 0.6776861039876161
Energy: 0.7275640229264264
Energy: 0.6502589792823109
Energy: 1.1275255280232774
Energy: 0.8610104443741283
Energy: 0.6998727619780181
Energy: 0.7003118225077953
Energy: 0.7210164525806828
Energy: 0.7390839537075946
Energy: 0.7956011508090789
Energy: 0.7030872515354528
Energy: 0.7026083744212716
Energy: 0.6810253563646935
Energy: 0.7248289123009176
Energy: 0.663309875739502
Energy: 0.7046852649136888
Energy: 0.7183888587474616
Energy: 0.7164701646481616
Energy: 0.704497332631381
Energy: 0.7205480645525708
Energy: 0.7152907573986914
Energy: 0.7076988254414248
Energy: 0.6929685031520086
Energy: 0.6827400782891179
Energy: 0.7090090078189847
Energy: 0.7133398996646383
Energy: 0.7178396064801371
Energy: 0.7087745572624294
Energy: 0.6590224367666765
Energy: 0.6473232587590845
Energy: 0.708891179506379
Energy: 0.6738874700705106
Energy: 0.692554217550275
Energy: 0.7316695331358565
Energy: 0.698328176138762
Energy: 0.6819910148101553
Energy: 0.7084248368511579
Energy: 0.6984595757030825
Energy: 0.6956134573210185
Energy: 0.7302957849560028
Energy: 0.6900533782195659
Energy: 0.7010794317451954
Energy: 0.7102070768032217
Energy: 0.6932125810409705
Energy: 0.6867692668006682
Energy: 0.7299922966935548
Energy: 0.697531788208152
Energy: 0.6838518379433041
Energy: 0.6964886121313996
Energy: 0.6963361403708641
Energy: 0.6769922919236022
Energy: 0.7314379278283174
Energy: 0.7140910469851361
Energy: 0.697745428303661
Energy: 0.7051525944878578
Energy: 0.7176820978593109
Energy: 0.68244307592989
Energy: 0.7712656811936455
Energy: 0.6987341243897951
Energy: 0.7214805870683959
Energy: 0.6894779744367653
Energy: 0.7101621978783635
Energy: 0.6731663990679614
Energy: 0.772041041884306
Energy: 0.7111698551465228
Energy: 0.7011580906540732
Energy: 0.6894533493269046
Energy: 0.7114546953537361
Energy: 0.6515766794238734
Energy: 0.7310214100132162
Energy: 0.709112679711383
Energy: 0.7067861568942646
Energy: 0.7201265548592944
Energy: 0.7082248308955646
Energy: 0.7065295911503009
Energy: 0.8904952406731549
Energy: 0.6708641847587695
Energy: 0.7160471414095669
Energy: 0.7177304098301053
Energy: 0.7046232578982081
Energy: 0.7185689603046805
Energy: 0.7314088095278432
Energy: 0.6766223556950918
Energy: 0.6628673680870312
Energy: 0.7213179181490562
Energy: 0.6774034522804427
Energy: 0.6620486659208283
Energy: 0.9024759594139237
Energy: 0.7058877522674447
Energy: 0.7066819245184586
Energy: 0.9026646513733242
Energy: 0.7047926914243913
Energy: 0.7033636658538818
Energy: 0.7324451567137719
Energy: 0.6624439895438269
Energy: 0.662512956352193
Energy: 0.7331457719470114
Energy: 0.6766393074559997
Energy: 0.739097014329631
Energy: 0.7316836026088275
Energy: 0.6812975603473312
Energy: 0.648059830661196
Energy: 0.723464522712675
Energy: 0.6883478103518227
Energy: 0.7319276449455628
Energy: 0.6965505407263481
Energy: 0.7099794746411366
Energy: 0.6724392954675262
Energy: 0.7617059725152612
Energy: 0.7045219100656969
Energy: 0.6949280012995831
Energy: 0.6796986466426979
Energy: 0.7042367443405879
Energy: 0.7273714662133218
Energy: 0.6759015907033409
Energy: 0.7037896602064871
Energy: 0.7008742704827922
Energy: 1.0104701256373183
Energy: 0.7075899101118365
Energy: 0.6849021162564438
Energy: 0.711458365348489
Energy: 0.707784469033505
Energy: 0.6869699653202315
Energy: 0.73355024770889
Energy: 0.7253770342704832
Energy: 0.7243506147121905
Energy: 0.7244740146002158
Energy: 0.7275147206978179
Energy: 0.6613596377396606
Energy: 0.8940711224325546
Energy: 0.7223855564375262
Energy: 0.7236900148344038
Energy: 0.6886181917923441
Energy: 0.7213149197773743
Energy: 0.6999744735953507
Energy: 0.7288635532215813
Energy: 0.7169399450226022
Energy: 0.6895912831420302
Energy: 0.6890502680597359
Energy: 0.7167611231008395
Energy: 0.6546202408764361
Energy: 0.7061622443236247
Energy: 0.7117756068044728
Energy: 0.6627629494457248
Energy: 0.7198502490642732
Energy: 0.7022460719991613
Energy: 0.6730658638913106
Energy: 0.7058635351978948
Energy: 0.6939473163414622
Energy: 0.6945212207815018
Energy: 0.7075829535751219
Energy: 0.6915961584529103
Energy: 0.706181447331288
Energy: 0.7085921555740418
Energy: 0.6912473554668708
Energy: 0.6907926113776802
Energy: 0.7089798412037404
Energy: 0.6925897285323126
Energy: 0.7021378481769518
Energy: 0.9666765405034724
Energy: 0.7383809520391905
Energy: 0.7385367403893495
Energy: 0.8229255693034486
Energy: 0.7390100671482791
Energy: 0.6906078604206054
Energy: 0.7314479456214639
Energy: 0.6853764829125868
Energy: 0.6834506357958294
Energy: 0.7076871583924672
Energy: 0.69380666092385
Energy: 0.6875431396469036
Energy: 0.7300960271072446
Energy: 0.6830979745753295
Energy: 0.6851557555369787
Energy: 0.7030670952812893
Energy: 0.7001505155144918
Energy: 0.706606281864384
Energy: 0.7308906308798675
Energy: 0.7097242740960696
Energy: 0.699549756579739
Energy: 0.7094469187284329
Energy: 0.6975872796665253
Energy: 0.6826884290948649
Energy: 0.7725377933309922
Energy: 0.7110701368212281
Energy: 0.6809779645027727
Energy: 0.6897493057699251
Energy: 0.7109336349835768
Energy: 0.6516098053217279

minimum gb energy = 0.6384194620128129 eV
minimum distance =  2.59605088773002 Angstroms
sigma value = 57


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

Energy: 0.4751829183678631
Energy: 0.4569966399543298
Energy: 0.3368430516340878
Energy: 0.31050143452868173
Energy: 0.5866658002381868
Energy: 0.4764660773140513
Energy: 0.4762404383444766
Energy: 0.5402545593544213
Energy: 0.5316720411195458
Energy: 0.5985656984395452
Energy: 0.6112437587620275
Energy: 0.5561550821542708
Energy: 0.6705361233846316
Energy: 0.6309891252213675
Energy: 0.6357104151100532
Energy: 0.559769283954147
Energy: 0.6016170552634709
Energy: 0.6454243114859012
Energy: 0.6524469955823695
Energy: 0.6228714265593603
Energy: 0.6482647605099632
Energy: 0.6095218731493443
Energy: 0.6458648852773267
Energy: 0.6334835060448311
Energy: 0.6509407696603265
Energy: 0.3938288336037915
Energy: 0.40776464837771786
Energy: 0.6599954005620123
Energy: 0.3092711673526364
Energy: 0.624030179744383
Energy: 0.6169472711645115
Energy: 0.3934991853513167
Energy: 0.39383288945726636
Energy: 0.6773547714820363
Energy: 0.30914398080737715
Energy: 0.3351449603033078
Energy: 0.6119462443178021
Energy: 0.6181038415220533
Energy: 0.6193788909952984
Energy: 0.6127459181073217
Energy: 0.6160799400593039
Energy: 0.6607403005201056
Energy: 0.6462636475108238
Energy: 0.6557355178646349
Energy: 0.6596974716966861
Energy: 0.64604225795939
Energy: 0.6617592809422205
Energy: 0.6499287136335352
Energy: 0.6851104985574876
Energy: 0.6557200398681283
Energy: 0.6588729712940417
Energy: 0.650464764160027
Energy: 0.6559833474738204
Energy: 0.6617685058660223
Energy: 0.31544449724534157
Energy: 0.6646338927162111
Energy: 0.33637112985446366
Energy: 0.3092033966246464
Energy: 0.6836516738195046
Energy: 0.311357145858019
Energy: 0.30880014166790276
Energy: 0.659541309643525
Energy: 0.6719000801632711
Energy: 0.3091282056982234
Energy: 0.660522277083596
Energy: 0.33728229007930566
Energy: 0.6874076887201768
Energy: 0.6634178488312923
Energy: 0.6686429166633198
Energy: 0.6177203777084495
Energy: 0.6464986792248393
Energy: 0.6224651461966367
Energy: 0.688291368908235
Energy: 0.6504128738401421
Energy: 0.6611938496899196
Energy: 0.6468203402422231
Energy: 0.6882326684502846
Energy: 0.6448962729468894
Energy: 0.654461070561429
Energy: 0.6136011376442352
Energy: 0.6535049441922174
Energy: 0.6578776132926548
Energy: 0.6519705982053581
Energy: 0.6220484076554209
Energy: 0.6602931312306959
Energy: 0.3091072598469692
Energy: 0.30932831578289155
Energy: 0.6949963987702064
Energy: 0.39633838042454617
Energy: 0.41205923687326734
Energy: 0.609928305457714
Energy: 0.6176189719188102
Energy: 0.6266924970930595
Energy: 0.6107570132699942
Energy: 0.3929955279122102
Energy: 0.643835924528925
Energy: 0.6306545082198104
Energy: 0.6021505279488915
Energy: 0.6285802804375834
Energy: 0.6476826890380586
Energy: 0.631444775388169
Energy: 0.6344641955662288
Energy: 0.6742909352565073
Energy: 0.641432936851823
Energy: 0.576185712774271
Energy: 0.5930825449345458
Energy: 0.5783606422628986
Energy: 0.6291092692834377
Energy: 0.47621168100844724
Energy: 0.5409154711460908
Energy: 0.531814922650731
Energy: 0.3091525917173278
Energy: 0.54566565559649
Energy: 0.5359865350838352

minimum gb energy = 0.30880014166790276 eV
minimum distance =  2.60446231286789 Angstroms
sigma value = 11


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

Energy: 1.0110779422313043
Energy: 0.5524727679256534
Energy: 0.6280921477269481
Energy: 0.808943827813456
Energy: 0.5397910301967115
Energy: 0.741755935990646
Energy: 0.5638369990223745
Energy: 0.5574941472025142
Energy: 0.5731457398465333
Energy: 0.5574090408460677
Energy: 0.5440467196532555
Energy: 0.5427641671015517
Energy: 0.5491535528132275
Energy: 0.538990500173008
Energy: 0.5371470932772755
Energy: 0.5501140237914702
Energy: 0.5385614777699288
Energy: 0.5492952125559116
Energy: 0.5485557412363737
Energy: 0.5783538571189455
Energy: 0.5713544534914351
Energy: 0.549365300882892
Energy: 0.5462956476549214
Energy: 0.5385780972376549
Energy: 0.5454469081315255
Energy: 0.6294207388777441
Energy: 0.5830929666621006
Energy: 0.5667874460902503
Energy: 0.5943785174967131
Energy: 0.56971954236629
Energy: 0.5847420202594007
Energy: 0.7071595383777137
Energy: 0.6630506271354734
Energy: 0.5642040956010557
Energy: 0.7273485489704328
Energy: 0.5824957149688669
Energy: 0.5914622727085791
Energy: 0.5534023933675897
Energy: 0.5598090100330326
Energy: 0.5430736942796108
Energy: 0.5618019852829571
Energy: 0.5579614786528974
Energy: 0.557149654233951
Energy: 0.606555419914142
Energy: 0.5995865416628731
Energy: 0.5575578125195354
Energy: 0.6064687753833513
Energy: 0.5984841484286109
Energy: 0.5914432456483985
Energy: 0.568266448391557
Energy: 0.5855569353888389
Energy: 0.5675231433349253
Energy: 0.5450364887460795
Energy: 0.6089040765051257
Energy: 0.8453472566615433
Energy: 0.5927927399595877
Energy: 0.5825510850008221
Energy: 0.774145563493602
Energy: 0.5630004201426339
Energy: 0.5882355258158531
Energy: 0.6211990069249183
Energy: 0.5911191998075478
Energy: 0.580564751776412
Energy: 0.5682628117985101
Energy: 0.5910135257445017
Energy: 0.5973312908854365
Energy: 0.644712881832358
Energy: 0.5333343008257445
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Energy: 0.6177279599382045
Energy: 0.5314855315536671
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Energy: 0.7039015124645736
Energy: 0.6627654430977146
Energy: 0.665189919228687
Energy: 0.6200746928186908
Energy: 0.7279009729343346
Energy: 0.619061003568967
Energy: 0.6379365705673513
Energy: 0.6214032592204393
Energy: 0.6315181682856434
Energy: 0.6387125377405576
Energy: 0.5867721472762824
Energy: 0.62978823712151
Energy: 0.6411988212619609
Energy: 0.7387684093995899
Energy: 0.738263452639567
Energy: 0.5647987179569904
Energy: 0.7391800313018335
Energy: 0.5909856116803434
Energy: 0.8140685038364868
Energy: 0.6132781721432315
Energy: 0.6313991524234602
Energy: 0.5872343324947178
Energy: 0.5865141771144763
Energy: 0.6322214244297348
Energy: 0.7456742953557954
Energy: 0.7242601776943395
Energy: 0.6470718462251169
Energy: 0.7218815017999916
Energy: 0.7139362305929523
Energy: 0.6474437151994832
Energy: 1.011900219930983
Energy: 0.5885154762988962
Energy: 0.5891414887575926
Energy: 0.563134327992842
Energy: 0.5872851199593531
Energy: 0.6352624000461147
Energy: 0.6270094943764983
Energy: 0.5720859448451896
Energy: 0.5792020721396204
Energy: 0.5451363171858303
Energy: 0.5686838264645784
Energy: 0.6038294051362402
Energy: 0.651366038378984
Energy: 0.6182683064582002
Energy: 0.621466131461507
Energy: 0.6577520116042074
Energy: 0.7405915242028981
Energy: 0.6231564592479508
Energy: 0.8142379389437062
Energy: 0.6038702246437471
Energy: 0.5853485206077438
Energy: 0.5628651025273411
Energy: 0.6141046950253648
Energy: 0.5771954590075505
Energy: 0.6747336533097456
Energy: 0.8086836900226502
Energy: 0.8085109348965619
Energy: 0.672584757630775
Energy: 0.8082632437684071
Energy: 0.6069374368187116
Energy: 0.5425561357411939
Energy: 0.5722664450536605
Energy: 0.5862645348460319
Energy: 0.5434658473161473
Energy: 0.5702124501098267
Energy: 0.5765687760942296
Energy: 0.6079833521123301
Energy: 0.6312712385870985
Energy: 0.598391149039116
Energy: 0.6089740636921475
Energy: 0.65344937063765
Energy: 0.5971303867071146
Energy: 0.5945560821076107
Energy: 0.5519477265784463
Energy: 0.5839792361473453
Energy: 0.5955872266608389
Energy: 0.5493181833094284
Energy: 0.5950973892238268
Energy: 0.6671321842888959
Energy: 0.5752690083006122
Energy: 0.5640883118512837
Energy: 0.7205672879022733
Energy: 0.5683654031126337
Energy: 0.5588812854736787

minimum gb energy = 0.5314855315536671 eV
minimum distance =  2.61437529446133 Angstroms
sigma value = 41


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

Energy: 1.0014887964232517
Energy: 0.6081223633770757
Energy: 0.6097751436500951
Energy: 0.7861573075982234
Energy: 0.5845655801717721
Energy: 0.7852816746401422
Energy: 0.612362916289778
Energy: 0.5875658055315716
Energy: 0.607828490326293
Energy: 0.591219568076182
Energy: 0.5870662132255107
Energy: 0.5894285421981691
Energy: 0.5843525567686569
Energy: 0.589548339653507
Energy: 0.5842461486289209
Energy: 0.5840776669913205
Energy: 0.583288870846845
Energy: 0.5861921726997757
Energy: 0.5846025013340463
Energy: 0.602470616771727
Energy: 0.5852224672993542
Energy: 0.5844999559100238
Energy: 0.5859429865581989
Energy: 0.5856565163389857
Energy: 0.5847513329672112
Energy: 0.631405255270687
Energy: 0.6136242894479901
Energy: 0.5852182027416959
Energy: 0.621435028477699
Energy: 0.587357581948315
Energy: 0.6592143530998699
Energy: 0.6678099019791558
Energy: 0.6672357149644217
Energy: 0.5848086775992511
Energy: 0.6621063383351161
Energy: 0.6674373918801834
Energy: 0.659710544862824
Energy: 0.5846292669053381
Energy: 0.5992853068097481
Energy: 0.5871759070012396
Energy: 0.6123778890751064
Energy: 0.6026389946527961
Energy: 0.6100769790168106
Energy: 0.692012546604727
Energy: 0.691656658676596
Energy: 0.6104597764270175
Energy: 0.6920776682703823
Energy: 0.590149935216157
Energy: 0.6603622118313761
Energy: 0.5919220209311407
Energy: 0.5851427975283808
Energy: 0.6216440341656614
Energy: 0.5906718808231483
Energy: 0.5854622634468258
Energy: 0.7572873987043021
Energy: 0.6698303115767056
Energy: 0.6244359896766464
Energy: 0.7161637444767432
Energy: 0.6701508543044761
Energy: 0.58977808479612
Energy: 0.7586442100071974
Energy: 0.5961515634617928
Energy: 0.5872518618768133
Energy: 0.7159097348070378
Energy: 0.5990151081022675
Energy: 0.5853711627007351
Energy: 0.7483492961469211
Energy: 0.5902244299603226
Energy: 0.559615622391662
Energy: 0.7136128843673393
Energy: 0.5610396968953238
Energy: 0.623835496595345
Energy: 0.6700779585332916
Energy: 0.7829190446375746
Energy: 0.7808408772652967
Energy: 0.6699575936641576
Energy: 0.7939945645462158
Energy: 0.7805088870462106
Energy: 0.5915397511476315
Energy: 0.590587482266997
Energy: 0.5869572532617646
Energy: 0.5923107469789199
Energy: 0.5884034695923921
Energy: 0.6069991640915617
Energy: 0.6880627012618316
Energy: 0.6821491708728784
Energy: 0.6785779098990022
Energy: 0.6879256842054486
Energy: 0.671343449536497
Energy: 0.6859129265311634
Energy: 0.5866483663285074
Energy: 0.5887576344101827
Energy: 0.5851179968890452
Energy: 0.614039723228723
Energy: 0.5879404192187845
Energy: 0.6021864089601714
Energy: 0.9024597430970707
Energy: 0.5919685960335067
Energy: 0.5577136716110613
Energy: 0.7809775598149123
Energy: 0.5837651555753716
Energy: 0.7801829540376006
Energy: 0.611612393220687
Energy: 0.5853765955526181
Energy: 0.6044893520006972
Energy: 0.6249041384472374
Energy: 0.5860874406477946
Energy: 0.605666911065405
Energy: 0.5881511145474445
Energy: 0.5855584091341258
Energy: 0.5898741203489898
Energy: 0.5883740286902643
Energy: 0.5846343961951181
Energy: 0.5858672736964559
Energy: 0.5834611510747111
Energy: 0.5869188540647352
Energy: 0.5866589611267534
Energy: 0.5832323653745571
Energy: 0.5852338529182458
Energy: 0.5845607703564358
Energy: 0.5857962239993123
Energy: 0.5851651938207789
Energy: 0.5901040163687234
Energy: 0.5860891582012528
Energy: 0.592247845385303
Energy: 0.6057546544233344
Energy: 0.6974198263293364
Energy: 0.6623356412993351
Energy: 0.6622279534656719
Energy: 0.6979421776722584
Energy: 0.6623737048887511
Energy: 0.6620902618485617
Energy: 0.6602755440739441
Energy: 0.5854399609376629
Energy: 0.585730693191741
Energy: 0.5868662810513057
Energy: 0.5916395071710069
Energy: 0.6037361305901977
Energy: 0.6099182994827748
Energy: 0.6804650866559393
Energy: 0.6836371249062563
Energy: 0.6103852027506922
Energy: 0.6812567552956986
Energy: 0.5906455475307568
Energy: 0.6602362035585903
Energy: 0.5851143074554357
Energy: 0.5856158358965521
Energy: 0.6182693511764263
Energy: 0.5927345104055061
Energy: 0.6035106438086743
Energy: 0.757512742326709
Energy: 0.5956918631216628
Energy: 0.6242410673282224
Energy: 0.716353316126347
Energy: 0.5919259019083679
Energy: 0.6071458634542877
Energy: 0.7579222591142668
Energy: 0.6701496578769919
Energy: 0.6711532782037071
Energy: 0.7171728988478491
Energy: 0.670136831892407
Energy: 0.5860642034662025
Energy: 0.7497845698652833
Energy: 0.6242911254730091
Energy: 0.6066890558302553
Energy: 0.6232926912168573
Energy: 0.5905921362596918
Energy: 0.5883829248484979
Energy: 0.6710851396510332
Energy: 0.7873790046226247
Energy: 0.7871089579614297
Energy: 0.6711317421255082
Energy: 0.7826323094732437
Energy: 0.7862218787523606
Energy: 0.5947179706124454
Energy: 0.6225084033606139
Energy: 0.5900840796389066
Energy: 0.5932661407503914
Energy: 0.6236445255938268
Energy: 0.5909697931802657
Energy: 0.6742776519392509
Energy: 0.6725336497847522
Energy: 0.6834497528281301
Energy: 0.6743997541945982
Energy: 0.6701762505048443
Energy: 0.6745676697149686
Energy: 0.6726834860878398
Energy: 0.584124315674744
Energy: 0.5848652777351627
Energy: 0.5902754736556832
Energy: 0.5870093151759918
Energy: 0.5850446505705201
Energy: 0.9044955688202095
Energy: 0.6273905451813016
Energy: 0.6031311721078607
Energy: 0.7815838667617421
Energy: 0.5854078910396474
Energy: 0.6160497436447887

minimum gb energy = 0.5577136716110613 eV
minimum distance =  2.59806857703056 Angstroms
sigma value = 33


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

Energy: 0.7986245924885743
Energy: 0.9398836194665751
Energy: 0.9394239107431516
Energy: 0.798311048310112
Energy: 1.1636159344505541
Energy: 0.9393000509767429
Energy: 0.6903081240094431
Energy: 0.636381483822304
Energy: 0.6345477189529751
Energy: 0.6669280470142439
Energy: 0.6550780169068345
Energy: 0.6349650878068004
Energy: 0.6504703864781726
Energy: 0.6354388496680935
Energy: 0.635541380380773
Energy: 0.6523988514429251
Energy: 0.6370801283793964
Energy: 0.6329915640732768
Energy: 0.6510337902840838
Energy: 0.6600047763686665
Energy: 0.6467025362485093
Energy: 0.6520081746691897
Energy: 0.6351032207101063
Energy: 0.6328574961071188
Energy: 0.6507448439177508
Energy: 0.6188781096154606
Energy: 0.6154840631419939
Energy: 0.6516005885725008
Energy: 0.6653659261834842
Energy: 0.6170057241807119
Energy: 0.8461030123554488
Energy: 0.6154182446197934
Energy: 0.6188768908256379
Energy: 0.6871018808811598
Energy: 0.6208323662549292
Energy: 0.6190207070263074
Energy: 0.6949278810844669
Energy: 0.6175360836625438
Energy: 0.6400145776014655
Energy: 0.6599633898928305
Energy: 0.6438271669810514
Energy: 0.6381014678025317
Energy: 0.6820220832437693
Energy: 0.6336433385103615
Energy: 0.6450010629281929
Energy: 0.6851699836321021
Energy: 0.8074098354420689
Energy: 0.6460396354353433
Energy: 0.6939655351294871
Energy: 0.6145120007232204
Energy: 0.6149623799766026
Energy: 0.6865714864757692
Energy: 0.6178793619801606
Energy: 0.6154430167103002
Energy: 0.8885652398322158
Energy: 0.6187143439491307
Energy: 0.6191965027765891
Energy: 0.662656487354971
Energy: 0.6191686998683891
Energy: 0.6189633629296952
Energy: 0.6913485353392719
Energy: 0.6169377115108289
Energy: 0.6463431863088149
Energy: 0.6488730054712806
Energy: 0.6132094727260529
Energy: 0.641624993366787
Energy: 0.8076391911369568
Energy: 0.6154303696531024
Energy: 0.614576400932907
Energy: 0.6478304445075663
Energy: 0.6145001179373021
Energy: 0.6107448931889413
Energy: 0.6528117579081176
Energy: 0.6150497550599858
Energy: 0.6208099835503356
Energy: 0.6476573254547435
Energy: 0.6157645467462248
Energy: 0.6159641282528915
Energy: 0.6624856292691677
Energy: 0.6413007683450161
Energy: 0.6414076794776715
Energy: 0.6631465987792133
Energy: 0.6608952959740243
Energy: 0.6414342530493098
Energy: 0.6132204091355951
Energy: 0.6349927976046272
Energy: 0.6341262858682083
Energy: 0.6506917176611197
Energy: 0.7349917318369537
Energy: 0.6330901062212305
Energy: 0.6555559061712265
Energy: 0.6613115864259104
Energy: 0.6371119377706792
Energy: 0.6972642827208752
Energy: 0.6589898487507837
Energy: 0.6370737969712414
Energy: 0.8844572161971119
Energy: 0.6837228239488804
Energy: 0.6205559991422939
Energy: 0.7753026660206765
Energy: 0.6834695430122883
Energy: 0.6174057010324643
Energy: 0.6989724090725176
Energy: 0.6630335182573331
Energy: 0.6158901286529965
Energy: 0.655944034889144
Energy: 0.7026966270616556
Energy: 0.6152812390831816
Energy: 0.6490106410551275
Energy: 0.613404076893661
Energy: 0.6139186821833312
Energy: 0.635698788990517
Energy: 0.6891708225227586
Energy: 0.6477065237163813
Energy: 0.6168127308118252
Energy: 0.6143859720736402
Energy: 0.6175849956870207
Energy: 0.6167168374933528
Energy: 0.6900463213688268
Energy: 0.6343658426107925
Energy: 0.6178768290439743
Energy: 0.6402217968393459
Energy: 0.622052746483095
Energy: 0.6182574261068783
Energy: 0.6387963331739215
Energy: 0.6157733963558378
Energy: 0.7923436744441262
Energy: 0.6169312203553168
Energy: 0.6176890868360119
Energy: 0.7867729289786916
Energy: 0.6178058687140254
Energy: 0.7851084652701517
Energy: 0.6543537645033634
Energy: 0.6370734682882644
Energy: 0.6357030173305929
Energy: 0.6174368690142473
Energy: 0.6575225889886974
Energy: 0.61753881998695
Energy: 0.6908392843109142
Energy: 0.801502842375113
Energy: 0.7716080632995026
Energy: 0.932039440580265
Energy: 0.8103906502617648
Energy: 0.6100057227542232
Energy: 0.689268361336655
Energy: 0.635877740856316
Energy: 0.6338067049668379
Energy: 0.6195231917983264
Energy: 0.6538090590659873
Energy: 0.6363754788254368
Energy: 0.6501554386381265
Energy: 0.6350548824103813
Energy: 0.6339095628893744
Energy: 0.6521629876381921
Energy: 0.6560296563467529
Energy: 0.6324033166032021
Energy: 0.6504512891023342
Energy: 0.6344362313645858
Energy: 0.6431628456877355
Energy: 0.6515460516135776
Energy: 0.6572529279624448
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Energy: 0.6177927802578181
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Energy: 0.7991585512018075
Energy: 0.6182236709822093
Energy: 0.6931704106418751
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Energy: 0.6820803860832672
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Energy: 0.6437177898037704
Energy: 0.6178914232058825
Energy: 0.6490501614480162
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Energy: 0.8068651154397019
Energy: 0.6170313706072621
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Energy: 0.6516706063005703
Energy: 0.6230291706728017
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Energy: 0.6672969635363132
Energy: 0.6378434917267508
Energy: 0.659125686584361
Energy: 0.6662077792367622
Energy: 0.6377309872638128
Energy: 0.6713557049621477
Energy: 0.6351500076811095
Energy: 0.6828242278010249
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Energy: 0.6827585854725182
Energy: 0.6580074207837368
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Energy: 0.6407123156827499
Energy: 0.6345642151681117
Energy: 0.663172124720536
Energy: 0.6399464098515644
Energy: 0.8859367972742768
Energy: 0.6777507464967768
Energy: 0.6628905892301752
Energy: 0.7764955041320386
Energy: 0.6809591111481389
Energy: 0.6191973573193539
Energy: 0.8850552238578403
Energy: 0.66705569674215
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Energy: 0.6705345810232012
Energy: 0.6153660761166188
Energy: 0.6631914595396173
Energy: 0.6117503414203518
Energy: 0.6171364708404259
Energy: 0.6367711069017711
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Energy: 0.6168393195879928
Energy: 0.613695650248297
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Energy: 0.6896078218735825
Energy: 0.6187527802970272
Energy: 0.6166930051997502
Energy: 0.6168050603650831
Energy: 0.6158045817076448
Energy: 0.6172470868277223
Energy: 0.6639475490485842
Energy: 0.6149863064750448
Energy: 0.795265751185855
Energy: 0.6160356971654092
Energy: 0.7914709128737565
Energy: 0.7954513374551763
Energy: 0.6179031850155335
Energy: 0.7916714727522326
Energy: 0.6561970832671972
Energy: 0.6381359717702776
Energy: 0.6376875097809612
Energy: 0.6443255721278967
Energy: 0.660684166929999
Energy: 0.6390038018430747
Energy: 1.0894562610446452
Energy: 0.6362510722478365
Energy: 0.6132195887931684
Energy: 0.6128206745174594
Energy: 0.8081691854660414
Energy: 0.6152956923874631

minimum gb energy = 0.6100057227542232 eV
minimum distance =  2.61424980902121 Angstroms
sigma value = 67


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

Energy: 0.9440302894268233
Energy: 0.6453334690559563
Energy: 0.6454419378117771
Energy: 0.6484494395500838
Energy: 0.7200413016078305
Energy: 0.6454954950939226
Energy: 0.7511480230642441
Energy: 0.6494584534431903
Energy: 0.6482798279421744
Energy: 0.6754586533502163
Energy: 0.6544049947671134
Energy: 0.6486822203590766
Energy: 0.6920201183593662
Energy: 0.5921735803113436
Energy: 0.6283599261736675
Energy: 0.6534986477957581
Energy: 0.5910649366544954
Energy: 0.6286123758404134
Energy: 0.6879115155639542
Energy: 0.6519510284191399
Energy: 0.6480543611911077
Energy: 0.654132169556717
Energy: 0.650361061313401
Energy: 0.6270534328278583
Energy: 0.683856977443501
Energy: 0.6725746160048752
Energy: 0.6734818816803034
Energy: 0.6848002315951056
Energy: 0.6743898272540333
Energy: 0.6530686040300023
Energy: 0.6871713977329331
Energy: 0.6197736727046166
Energy: 0.6555033135391328
Energy: 0.68749552701094
Energy: 0.6211622146333796
Energy: 0.6564448838106507
Energy: 0.7510076957640743
Energy: 0.6504333731978476
Energy: 0.6499662666208001
Energy: 0.621698345488292
Energy: 0.6544349920906865
Energy: 0.6484142330205184

minimum gb energy = 0.5910649366544954 eV
minimum distance =  2.66064824646151 Angstroms
sigma value = 3


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

Energy: 0.9506179902531261
Energy: 0.8760817117987453
Energy: 0.7718171883411038
Energy: 0.7114839256850425
Energy: 1.1059804120559538
Energy: 0.8015611895710438
Energy: 0.7255303650541753
Energy: 0.7850213466941744
Energy: 0.7094054446618938
Energy: 0.7061411982507609
Energy: 0.777734473348005
Energy: 0.70260091224756
Energy: 0.7457370741794865
Energy: 0.7204428860446631
Energy: 0.7196570892080835
Energy: 0.7103293944191067
Energy: 0.7194828941080765
Energy: 0.7434559669243623
Energy: 0.7412657703107047
Energy: 0.7028720603918766
Energy: 0.7394567639587457
Energy: 0.7427522804109873
Energy: 0.7217144280499495
Energy: 0.7027416115395309
Energy: 0.7525640750811545
Energy: 0.7387902570497842
Energy: 0.7417624759882535
Energy: 0.7523351141877627
Energy: 0.7714058406514627
Energy: 0.7402421851095241
Energy: 0.7568192719136427
Energy: 0.7424764746749563
Energy: 0.7440458663573983
Energy: 0.814406497229913
Energy: 0.778810890658327
Energy: 0.7447158427063569
Energy: 0.7496310856475233
Energy: 0.8279654397219981
Energy: 0.7723318708041504
Energy: 0.771256605427055
Energy: 0.8300182060856819
Energy: 0.7921720425953546
Energy: 0.9266903437582541
Energy: 0.8705379279108753
Energy: 0.7692726128926246
Energy: 0.721283321464422
Energy: 0.8737756477616441
Energy: 0.7698106697583973
Energy: 0.7594461731734784
Energy: 0.7440270427975522
Energy: 0.7929596025245225
Energy: 0.7774549012049837
Energy: 0.7800677258897217
Energy: 0.7574735078838871
Energy: 0.9403995348207834
Energy: 0.7209590256755537
Energy: 0.7210144299317258
Energy: 0.8794223840210684
Energy: 0.7213526207718031
Energy: 0.7987395306639349
Energy: 0.8184420076432295
Energy: 0.8015045414759547
Energy: 0.7280445450261237
Energy: 0.8189686241294463
Energy: 0.723528193967731
Energy: 0.7623591599002463
Energy: 0.890759570023931
Energy: 0.7475764294974825
Energy: 0.74537030415001
Energy: 0.7895414248797084
Energy: 0.8153168665849317
Energy: 0.7453140319760978
Energy: 0.8042296037584319
Energy: 0.7392485442445245
Energy: 0.7401493096696388
Energy: 0.7220190333764208
Energy: 0.7382114771777825
Energy: 0.7413666043318183
Energy: 0.8609890378247009
Energy: 0.7436634996367133
Energy: 0.7367160972680314
Energy: 0.7728027990128665
Energy: 0.7396109038688418
Energy: 0.7365295339657666
Energy: 0.7989399024898322
Energy: 0.7460027432152071
Energy: 0.7632465840888417
Energy: 0.7451206429430821
Energy: 0.7450704100643898
Energy: 0.7448230715348136
Energy: 0.8666387716656041
Energy: 0.7511448521518937
Energy: 0.7418819516696282
Energy: 0.7882555918676786
Energy: 0.7468478811561784
Energy: 0.7447479144753653
Energy: 0.9758023605874669
Energy: 0.752474305384416
Energy: 0.7576330812782702
Energy: 0.977689038972344
Energy: 0.7626523205339756
Energy: 0.876715934278371
Energy: 0.8536211857499233
Energy: 0.7552224849111757
Energy: 0.7424357800601858
Energy: 0.884125274883208
Energy: 0.7229509972134766
Energy: 0.7751788366342984
Energy: 0.8114218855979533
Energy: 0.7498759833447699
Energy: 0.7413157614223255
Energy: 0.7361884312534459
Energy: 0.7479550688884409
Energy: 0.7211831248137984
Energy: 0.7581108798473835
Energy: 0.7794613682511458
Energy: 0.7893888736424796
Energy: 0.7212993537884473
Energy: 0.7729822145851378
Energy: 0.7209440064502942
Energy: 0.8231204915219048
Energy: 0.7578236951495423
Energy: 0.7923704026977474
Energy: 0.7603789810907989
Energy: 0.7642515470222567
Energy: 0.7682664894464539
Energy: 0.7769399061239854
Energy: 0.8286397230377524
Energy: 0.7621202667931442
Energy: 0.7444880218971927
Energy: 0.8354629410160762
Energy: 0.7626571344973787
Energy: 0.7806028167338357
Energy: 0.7726981554941117
Energy: 0.7604709680485171
Energy: 0.7816850865584839
Energy: 0.7880229824501601
Energy: 0.7408961277065186
Energy: 0.7765421405203276
Energy: 0.722243793933322
Energy: 0.7218002148753578
Energy: 0.7773126174069067
Energy: 0.7245265487042948
Energy: 0.7770168637011298
Energy: 0.7420703215225651
Energy: 0.8079393118642431
Energy: 0.7470379951461164
Energy: 0.7486139427974753
Energy: 0.7910438944200205
Energy: 0.7446928060403609
Energy: 0.8874547546478168
Energy: 0.8267853197104997
Energy: 0.7668354640184674
Energy: 0.7547318873746124
Energy: 0.8907411516466424
Energy: 0.7813504281534615
Energy: 0.7030852140828517
Energy: 0.8203263614206947
Energy: 0.7383212886151204
Energy: 0.7078935227956389
Energy: 0.8931854560967726
Energy: 0.7480493205686624
Energy: 0.7444718325479325
Energy: 0.744115213023826
Energy: 0.7450107125104772
Energy: 0.823959119391224
Energy: 0.7656640735648278
Energy: 0.7444747358810166
Energy: 0.7537459518223074
Energy: 0.7210208947300276
Energy: 0.7200062309504415
Energy: 0.7538549165730369
Energy: 0.7201150616810175
Energy: 0.7426066758286255
Energy: 0.7414321422558385
Energy: 0.7532243512725951
Energy: 0.7403036748708222
Energy: 0.7430084971152913
Energy: 0.7688699767325468
Energy: 0.7402261420056383
Energy: 0.7418281119223112
Energy: 0.7859792948559473
Energy: 0.741311294173615
Energy: 0.742506718385573
Energy: 0.7425359769177104
Energy: 0.7404084925026574
Energy: 0.7583888767025314
Energy: 0.7734454903782197
Energy: 0.7976576727092091
Energy: 0.8151600035544418
Energy: 0.7593870519811651
Energy: 0.7444293767416325
Energy: 0.8329209978228592
Energy: 0.8323421239965245
Energy: 0.8262034254013975
Energy: 0.7199808843052766
Energy: 0.8473043273244425
Energy: 0.7619829982198656
Energy: 0.7693858046731986
Energy: 0.744500086873632
Energy: 0.7989107804921893
Energy: 0.774116203553119
Energy: 0.7613948750565632
Energy: 0.7624378227338707
Energy: 0.7752455116650857
Energy: 0.758842269497797
Energy: 0.7246302017257736
Energy: 0.849876262511528
Energy: 0.724137031342263
Energy: 0.7864822127062843
Energy: 0.8438913539712334
Energy: 0.7209114457808186
Energy: 0.7209547467384689
Energy: 0.8450957680196958
Energy: 0.7209829921752614
Energy: 0.7995684503346444
Energy: 0.8633615662894311
Energy: 0.7511119894420046
Energy: 0.744784552050033
Energy: 0.8279581348640824
Energy: 0.7674998949863553
Energy: 0.7604899853772632
Energy: 0.962249729409243
Energy: 0.7411107062006506
Energy: 0.7431630800756971
Energy: 0.7418458788762535
Energy: 0.7397666475328512
Energy: 0.8316472346155762
Energy: 0.8648874340321542
Energy: 0.747646831224345
Energy: 0.7386160326497639
Energy: 0.7769545908491413
Energy: 0.742666429236532
Energy: 0.7376951355468419
Energy: 0.8007549168578314
Energy: 0.7400511529381304
Energy: 0.7402624406279595
Energy: 0.744236522539192
Energy: 0.748713077201599
Energy: 0.74036061116458
Energy: 0.870052754288934
Energy: 0.7488960677586649
Energy: 0.7426499666241188
Energy: 0.8083297339869989
Energy: 0.7456393530387936
Energy: 0.7421275352490262
Energy: 0.8786983496041844
Energy: 0.7550872790508237
Energy: 0.7427068175845475
Energy: 0.8791677399159753
Energy: 0.740681196577563
Energy: 0.7495153316968592
Energy: 0.9405498372990039
Energy: 0.7675733223833567
Energy: 0.7572641917760552
Energy: 0.9616051411601022
Energy: 0.7206270195606248
Energy: 0.8099317605274793
Energy: 0.8114570709132449
Energy: 0.748039823896819
Energy: 0.739849390983151
Energy: 0.776924345761166
Energy: 0.7427950737025885
Energy: 0.7440940321450809
Energy: 1.0915400704204727
Energy: 0.782239685999727
Energy: 0.724016628399572
Energy: 0.7511487139335241
Energy: 0.7789678984382502
Energy: 0.7236054763014661
Energy: 0.8090861134331494
Energy: 0.7846580070042203
Energy: 0.7560152202370006
Energy: 0.7708095792036261
Energy: 0.7765360044187389
Energy: 0.780687102730994
Energy: 0.8086135466640201
Energy: 0.7659972206209058
Energy: 0.763276594617653
Energy: 0.754137038293442
Energy: 0.7614234697900757
Energy: 0.7623726054981048
Energy: 0.8099329274058006
Energy: 0.7649194236295621
Energy: 0.7662821107833199
Energy: 0.7452287533177542
Energy: 0.8154135677725937
Energy: 0.7658313840069418
Energy: 0.7701019643721904
Energy: 0.7195411876467396
Energy: 0.741691655372093
Energy: 0.7722671544374863
Energy: 0.7197396232763679
Energy: 0.7815332260037656
Energy: 0.7692773481613255
Energy: 0.7211170365820918
Energy: 0.7210028447038916
Energy: 0.7648768481290265
Energy: 0.7207365156918751
Energy: 0.7433701356806827
Energy: 0.7254001865540504
Energy: 0.7597273799387382
Energy: 0.7039743329204933
Energy: 0.703061132300624
Energy: 0.7779118733517055
Energy: 0.7056913001730656

minimum gb energy = 0.70260091224756 eV
minimum distance =  2.62968592680925 Angstroms
sigma value = 81


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

Energy: 1.2783856137025214
Energy: 0.7228241728293625
Energy: 0.7229343850356177
Energy: 0.7250483915497065
Energy: 0.8546739698940842
Energy: 0.7225535467009968
Energy: 0.72785747487867
Energy: 0.7496014952970773
Energy: 0.7496584518298608
Energy: 0.7279808845429406
Energy: 0.6986658827197717
Energy: 0.7499368724280936
Energy: 0.7536734395338425
Energy: 0.7126637646413675
Energy: 0.734738091131895
Energy: 0.7912011273785859
Energy: 0.684475239435676
Energy: 0.7200302999803911
Energy: 0.721626358621534
Energy: 0.6835169793279666
Energy: 0.747274862261267
Energy: 0.7219322895790299
Energy: 0.6846411896479305
Energy: 0.7228417031371145
Energy: 0.725000953787218
Energy: 0.7507208747379791
Energy: 0.7536176696331433
Energy: 0.7251908138863883
Energy: 0.750047993172815
Energy: 0.753328792107248
Energy: 0.769538343638033
Energy: 0.7515396214725165
Energy: 0.7529783992751756
Energy: 0.7609203121983047
Energy: 0.7255418063622979
Energy: 0.7529095929743296
Energy: 0.719929995757401
Energy: 0.6953769542464491
Energy: 0.7267980714007396
Energy: 0.7390428461314728
Energy: 0.7005971863778954
Energy: 0.7260876976167823
Energy: 0.7387548376989135
Energy: 0.836705025135179
Energy: 0.81871977308951
Energy: 0.7185317902665728
Energy: 0.8580553936492994
Energy: 0.7184688582879319
Energy: 0.7531345932743786
Energy: 0.6963628855947036
Energy: 0.7230659004615436
Energy: 0.7376745908092989
Energy: 0.7005959416659902
Energy: 0.6968740950197628
Energy: 0.7788461130249923
Energy: 0.6646593442393036
Energy: 0.6651811797571738
Energy: 0.7790188617255414
Energy: 0.6645778960734815
Energy: 0.6648135165160641
Energy: 0.7499166353329803
Energy: 0.6649592995357443
Energy: 0.6651118795806381
Energy: 0.7380555138499859
Energy: 0.6660043169966877
Energy: 0.6953152429045681
Energy: 0.71626755728925
Energy: 0.6959543339716576
Energy: 0.6955397808900665
Energy: 0.6839768559924657
Energy: 0.7005954500909491
Energy: 0.7398958446917864
Energy: 0.7174228624780516
Energy: 0.7450925267210228
Energy: 0.6934311201514912
Energy: 0.6896694184504213
Energy: 0.7454889850255287
Energy: 0.7353894899147498
Energy: 0.7480891139236439
Energy: 0.6949340780465112
Energy: 0.6953320828960665
Energy: 0.7323782543359512
Energy: 0.6957018508897895
Energy: 0.7473391764351122
Energy: 0.7546567028434156
Energy: 0.743046937705666
Energy: 0.7589424674892871
Energy: 0.7359997061028812
Energy: 0.7434450027025056
Energy: 0.7593219363402065
Energy: 0.7450725056843289
Energy: 0.7529291283552334
Energy: 0.7593071812044813
Energy: 0.7089694856436833
Energy: 0.7516494741411213
Energy: 0.7293197783520413
Energy: 0.8790048890862403
Energy: 0.6917357212784431
Energy: 0.7265724612186851
Energy: 0.8737387472962269
Energy: 0.6905307532445021
Energy: 0.7100372068847071
Energy: 0.7019628617648979
Energy: 0.7012927155170746
Energy: 0.728450728125937
Energy: 0.7080970321111776
Energy: 0.7007043057593112
Energy: 0.7339043482582084
Energy: 0.6677536698415519
Energy: 0.7020540041423082
Energy: 0.6641329556072325
Energy: 0.668003086891696
Energy: 0.7031028866849801
Energy: 0.6642368180462462
Energy: 0.6666869532296519
Energy: 0.7029527469140429
Energy: 0.6645341827198078
Energy: 0.6659955854800466
Energy: 0.7458183938873205
Energy: 0.6643095047681401
Energy: 0.7021683801848883
Energy: 0.7013771941277798
Energy: 0.7330193654968683
Energy: 0.706441624698727
Energy: 0.70090639748001
Energy: 0.7030960374432477
Energy: 0.7535153517237635
Energy: 0.7112678045024552
Energy: 0.7353460807623757
Energy: 0.7533750634134774
Energy: 0.7418972861967261
Energy: 0.7350711181381845
Energy: 0.7392747299213729
Energy: 0.7502833649792278
Energy: 0.7583562181807046
Energy: 0.7008706428067004
Energy: 0.702715110360497
Energy: 0.7008661238456971
Energy: 0.7454779540053302
Energy: 0.763572320422133
Energy: 0.763396432189271
Energy: 0.7070415671389921
Energy: 0.7664978913293675
Energy: 0.7643816312828695
Energy: 0.7295027845927591
Energy: 0.7227081895267634
Energy: 0.7237997661483713
Energy: 0.733111999914947
Energy: 0.6970544628702819
Energy: 0.6947165351584753
Energy: 0.9201845609171037
Energy: 0.8232789994444888
Energy: 0.7231849812150211
Energy: 0.7200419591665327
Energy: 0.8292112748090503
Energy: 0.7222222048885143
Energy: 0.7367383130953177
Energy: 0.6962176576444428
Energy: 0.7224828194298383
Energy: 0.7259145477968574
Energy: 0.7028551344530065
Energy: 0.7216180806360116
Energy: 0.7686059521541146
Energy: 0.665246435521372
Energy: 0.6948516620690597
Energy: 0.7376603092675369
Energy: 0.6658922747037971
Energy: 0.6949956685076815
Energy: 0.7890784141958083
Energy: 0.66530294819128
Energy: 0.6655314238495423
Energy: 0.7898899585336951
Energy: 0.66521277044365
Energy: 0.6653118275945619
Energy: 0.7573470124891132
Energy: 0.694684317405633
Energy: 0.7233678044179273
Energy: 0.736486141572953
Energy: 0.701339265049588
Energy: 0.6979301589749125
Energy: 0.718883544623625
Energy: 0.8207350770924291
Energy: 0.7361650040398423
Energy: 0.6861817117968325
Energy: 0.7445194110307779
Energy: 0.6899649178984569
Energy: 0.7585643267330394
Energy: 0.6938973692620091
Energy: 0.694446716209824
Energy: 0.7370974883425243
Energy: 0.6972118197148353
Energy: 0.6950057417610005
Energy: 0.7310533750605914
Energy: 0.7480641403146755
Energy: 0.7499022951813117
Energy: 0.7706746871043864
Energy: 0.6982542855174275
Energy: 0.7498889635972047
Energy: 0.731609085457746
Energy: 0.7496887624606369
Energy: 0.755124031916407
Energy: 0.7234509684976959
Energy: 0.7491164192071907
Energy: 0.7536373121272737
Energy: 0.7309943409956001
Energy: 0.7523653515568546
Energy: 0.7527735370664964
Energy: 0.7302555860214933
Energy: 0.719496603658417
Energy: 0.7522216470634547
Energy: 0.843276315756165
Energy: 0.6896850405510502
Energy: 0.6926552263223141
Energy: 0.8444662799308026
Energy: 0.7237919099704373
Energy: 0.8063399356481956
Energy: 0.7537130127291706
Energy: 0.7494661743114478
Energy: 0.7493629305338256
Energy: 0.727745230005529
Energy: 0.6982631566996178
Energy: 0.7486698118255096
Energy: 0.7277466759561454
Energy: 0.8296270622925374
Energy: 0.7232195041812164
Energy: 0.7180290871722687
Energy: 0.7462816592778746
Energy: 0.7229445238086633

minimum gb energy = 0.6641329556072325 eV
minimum distance =  2.66585179771546 Angstroms
sigma value = 43


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

Energy: 0.8390755553997251
Energy: 0.8813936468850262
Energy: 0.8475848645797905
Energy: 0.7284463154583241
Energy: 0.9305321219607368
Energy: 0.7269186678751506
Energy: 0.6930180570023085
Energy: 0.7169281435610722
Energy: 0.7410640777006805
Energy: 0.7083963360492217
Energy: 0.6996910937652823
Energy: 0.7093179486302339
Energy: 0.7222543679737575
Energy: 0.6943142389063761
Energy: 0.6947100636993435
Energy: 0.7175021697489097
Energy: 0.69385906530907
Energy: 0.7098698047502909
Energy: 0.7083626059546266
Energy: 0.693307846150389
Energy: 0.7089514494589668
Energy: 0.7090883139088144
Energy: 0.6922196041595463
Energy: 0.7081950309895103
Energy: 0.7087463241873578
Energy: 0.7336266520641972
Energy: 0.7511940221878644
Energy: 0.709260008461999
Energy: 0.7530932861806644
Energy: 0.7548214689347292
Energy: 0.7094154852967232
Energy: 0.7389128835991566
Energy: 0.7527093138726527
Energy: 0.7540619310981929
Energy: 0.7100425711987911
Energy: 0.75076408035756
Energy: 0.7092427970537528
Energy: 0.7078713074767878
Energy: 0.7080346895795386
Energy: 0.7121464503541035
Energy: 0.7078780027415296
Energy: 0.7085069407293333
Energy: 0.7744029859659485
Energy: 0.7146590750537848
Energy: 0.7139743129154605
Energy: 0.6969693495735847
Energy: 0.7155917335519915
Energy: 0.71161981748926
Energy: 0.7624997592342632
Energy: 0.7086920491366097
Energy: 0.7088869059072846
Energy: 0.7625504834972884
Energy: 0.7084701899070431
Energy: 0.7091631458309061
Energy: 0.842783522832743
Energy: 0.7094537177954723
Energy: 0.7836625634749096
Energy: 0.830869687607843
Energy: 0.7089047524385587
Energy: 0.7817264607078409
Energy: 0.8240487468243339
Energy: 0.6941913605382362
Energy: 0.7312567704238544
Energy: 0.7127682581335093
Energy: 0.6942328878505645
Energy: 0.7409604522784254
Energy: 0.8210342709964193
Energy: 0.7080478125745718
Energy: 0.7080262269610023
Energy: 0.6933620223603311
Energy: 0.7092582675260076
Energy: 0.7080718175620526
Energy: 0.7762866868949
Energy: 0.7097110899631843
Energy: 0.7205921359293821
Energy: 0.6946630136244268
Energy: 0.7647970299046115
Energy: 0.7207634743444903
Energy: 0.6965482913250025
Energy: 0.7094842676228463
Energy: 0.7897206418730346
Energy: 0.7113436273099576
Energy: 0.7087954663536894
Energy: 0.7117695191922527
Energy: 0.6967909282701968
Energy: 0.7689139262582044
Energy: 0.7080812821148137
Energy: 0.6968819450924009
Energy: 0.7724141431487994
Energy: 0.7102065208048037
Energy: 0.6960572428263564
Energy: 0.7113431757583459
Energy: 0.6947784676131465
Energy: 0.694842393062582
Energy: 0.7310504036468619
Energy: 0.6952531034887631
Energy: 0.7021885269501535
Energy: 0.7012123655517665
Energy: 0.7013308549338838
Energy: 0.7022257432543919
Energy: 0.7089705580165695
Energy: 0.701320251941339
Energy: 0.6999656391200939
Energy: 0.6963143549481493
Energy: 0.6948298091227765
Energy: 0.7298569866524881
Energy: 0.6960056422248088
Energy: 0.6945157997683131
Energy: 0.8792185716914867
Energy: 0.6969446614395797
Energy: 0.6967983114943272
Energy: 0.7534886408118285
Energy: 0.6979173966361764
Energy: 0.7069765021753396
Energy: 0.7624790086200293
Energy: 0.6977462112467385
Energy: 0.6975229781827968
Energy: 0.71358654216562
Energy: 0.76497013109051
Energy: 0.7070626149317057
Energy: 0.699558247635834
Energy: 0.6958968052882468
Energy: 0.7324219469739935
Energy: 0.7209212343910476
Energy: 0.6923991791581328
Energy: 0.6953650692778042
Energy: 0.8276119851769275
Energy: 0.7226269699566826
Energy: 0.7227954578952516
Energy: 0.8272803582327517
Energy: 0.6960704946020356
Energy: 0.7241739386487239
Energy: 0.8189904283041659
Energy: 0.695229330788082
Energy: 0.6957624744551608
Energy: 0.7631549270710849
Energy: 0.6951669046594503
Energy: 0.6960407764448195
Energy: 0.8139260810715332
Energy: 0.6999274982803215
Energy: 0.7002571668641717
Energy: 0.7310509926984958
Energy: 0.6966056785958727
Energy: 0.6999028417190901
Energy: 0.8245615973559506
Energy: 0.6960886358819325
Energy: 0.695751178948085
Energy: 0.6961288333105864
Energy: 0.6960218672828641
Energy: 0.6951810191984206
Energy: 0.7724260456117941
Energy: 0.6966251467337297
Energy: 0.7111399263960647
Energy: 0.7085574545686631
Energy: 0.6969062748348046
Energy: 0.7112000681285138
Energy: 0.7713359078353604
Energy: 0.7107583126867574
Energy: 0.7103565487149063
Energy: 0.7090233779016529
Energy: 0.7166598880729946
Energy: 0.7106102209055056
Energy: 0.7666949971236583
Energy: 0.7138087408119964
Energy: 0.7099535840876348
Energy: 0.7089053235734408
Energy: 0.7169530388155044
Energy: 0.708297791900677
Energy: 0.8063246739122943
Energy: 0.7095099762088088
Energy: 0.7095482763928525
Energy: 0.8055226087861882
Energy: 0.6955121350482204
Energy: 0.7096142302548767
Energy: 0.7084819185909446
Energy: 0.6998043424367377
Energy: 0.7484574810458166
Energy: 0.7085145480802529
Energy: 0.7004418579181878
Energy: 0.7086414028298664
Energy: 0.8040091291014646
Energy: 0.8441371991778865
Energy: 0.8059281349770088
Energy: 0.7216237040496075
Energy: 0.9351485805734034
Energy: 0.7996692363138475

minimum gb energy = 0.6922196041595463 eV
minimum distance =  2.55978919689308 Angstroms
sigma value = 57


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

Energy: 0.8835396042633062
Energy: 0.7475939873087005
Energy: 0.7477566483776155
Energy: 0.6918448586777023
Energy: 0.7305084224175015
Energy: 0.7481518899245193
Energy: 0.6588101572870597
Energy: 0.7097088723380025
Energy: 0.7074347698357585
Energy: 0.7180491240535661
Energy: 0.7179390802860928
Energy: 0.6879311071157139
Energy: 0.7491525590038184
Energy: 0.6547535119927514
Energy: 0.6544665806630604
Energy: 0.7243371744607608
Energy: 0.6550784733554451
Energy: 0.6547482201192983
Energy: 0.7057499485621764
Energy: 0.6540694053713163
Energy: 0.6541529459814069
Energy: 0.7077697816072738
Energy: 0.6537545133719804
Energy: 0.7073172690900866
Energy: 0.7096178526023015
Energy: 0.686123895146162
Energy: 0.6848687965887829
Energy: 0.7098535697645384
Energy: 0.684850833581739
Energy: 0.7054703057980384
Energy: 0.7032000268088924
Energy: 0.6839399539091723
Energy: 0.6848915713454161
Energy: 0.6864265622254059
Energy: 0.7043332265720541
Energy: 0.6836902361286865
Energy: 0.7196356371622671
Energy: 0.7068074589001485
Energy: 0.7073512473749478
Energy: 0.7199408941526863
Energy: 0.706126440784549
Energy: 0.7198257399810642
Energy: 0.7955199031992777
Energy: 0.708602678064965
Energy: 0.7164133470834796
Energy: 0.6891168241873754
Energy: 0.724045906629978
Energy: 0.7142530448332354
Energy: 0.7166363610358463
Energy: 0.7070988575963472
Energy: 0.7084636288841906
Energy: 0.7167407685562057
Energy: 0.7080161083232687
Energy: 0.7069926150142418
Energy: 0.7287574803319399
Energy: 0.7014649350519997
Energy: 0.7013245261401225
Energy: 0.7289280097695671
Energy: 0.700970915977071
Energy: 0.7011962936547851
Energy: 0.7578584349199505
Energy: 0.6851189760106173
Energy: 0.7271655311889718
Energy: 0.7235550655262166
Energy: 0.7035456248730785
Energy: 0.7061623907517571
Energy: 0.6536977811426026
Energy: 0.7092453809367222
Energy: 0.7054671764145177
Energy: 0.6560094271809855
Energy: 0.7250859278046579
Energy: 0.7444514487202633
Energy: 0.6545133836968176
Energy: 0.7074973799074313
Energy: 0.7451819082757265
Energy: 0.7069825287052948
Energy: 0.7311844974475682
Energy: 0.7450949761116611
Energy: 0.7572132134821936
Energy: 0.7108739248538277
Energy: 0.6857517179160788
Energy: 0.7183706409170765
Energy: 0.718427593745697
Energy: 0.7060101738285282
Energy: 0.7236222350376481
Energy: 0.6540889856660956
Energy: 0.6540624130362254
Energy: 0.7239633684584222
Energy: 0.6536539665262666
Energy: 0.692516058569804
Energy: 0.7084078263877152
Energy: 0.6997567639423381
Energy: 0.7044884202569999
Energy: 0.7078096110981952
Energy: 0.6872155481949398
Energy: 0.707393149889781
Energy: 0.7081662078217766
Energy: 0.6906011593409807
Energy: 0.6846483123787466
Energy: 0.7026751248642967
Energy: 0.694906566977582
Energy: 0.688027128509125
Energy: 0.7123147513643638
Energy: 0.7068287770786236
Energy: 0.685472584845209
Energy: 0.7045749005717513
Energy: 0.7077776944070109
Energy: 0.6848551265517301
Energy: 0.72016520518192
Energy: 0.7088070387591283
Energy: 0.7087635301519045
Energy: 0.7197482954565428
Energy: 0.7069549196363368
Energy: 0.7066669863960254
Energy: 0.7203623176392762
Energy: 0.7067859077522901
Energy: 0.7069620878964258
Energy: 0.7223459206652374
Energy: 0.709166644876481
Energy: 0.711292149894333
Energy: 0.7198172498073778
Energy: 0.7107004489249401
Energy: 0.7141207557224949
Energy: 0.720350185283872
Energy: 0.7112345488979968
Energy: 0.7076169178825299
Energy: 0.7265026431919452
Energy: 0.7037183218522437
Energy: 0.7033699640770111
Energy: 0.7258651869187001
Energy: 0.7034711650130189
Energy: 0.7167346436480094
Energy: 0.7572543662124726
Energy: 0.7110856797381082
Energy: 0.7113644320951099
Energy: 0.717684970441392
Energy: 0.7184294523759153
Energy: 0.7107330066838238
Energy: 0.6583169101642031
Energy: 0.7067099770694627
Energy: 0.7447314450990324
Energy: 0.7071238846055765
Energy: 0.7289153234729451
Energy: 0.7452010250837547

minimum gb energy = 0.6536539665262666 eV
minimum distance =  2.60505820167418 Angstroms
sigma value = 17


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

Energy: 0.645405551544543
Energy: 0.7959373408452766
Energy: 0.7965557245923047
Energy: 0.6850307573354774
Energy: 0.7715808318257753
Energy: 0.6839346158086219
Energy: 0.683612131671069
Energy: 0.7748723861176794
Energy: 0.7751357686617564
Energy: 0.7763469239193841
Energy: 0.7791697231036042
Energy: 0.716140452208423
Energy: 0.7179927972059348
Energy: 0.6855741691877215
Energy: 0.6853292306883101
Energy: 0.752941285477377
Energy: 0.6846646098615076
Energy: 0.685037519252269
Energy: 0.7803023081008895
Energy: 0.684286275149784
Energy: 0.6844692887770845
Energy: 0.7809666097252016
Energy: 0.6876120880975651
Energy: 0.7763211404670151
Energy: 0.6739166939240788
Energy: 0.6635794620239126
Energy: 0.6932207516778729
Energy: 0.6731955062601421
Energy: 0.6644478763375362
Energy: 0.6935350337677506
Energy: 0.6856137890093926
Energy: 0.6694549631385363
Energy: 0.6945079125187235
Energy: 0.6879979814287508
Energy: 0.6730556255646162
Energy: 0.6687281646690958
Energy: 0.6643365758912732
Energy: 0.6622361032404598
Energy: 0.6624787819414799
Energy: 0.6634567757780915
Energy: 0.6668828344586231
Energy: 0.6768053526034256
Energy: 0.6648078246107053
Energy: 0.689758380271484
Energy: 0.6903731846138602
Energy: 0.6901475140511152
Energy: 0.6896045272018785
Energy: 0.6846495272443194
Energy: 0.6655739461290442
Energy: 0.6899403420932241
Energy: 0.6743900442296353
Energy: 0.6673108276113201
Energy: 0.6899842723228643
Energy: 0.6626609281693995
Energy: 0.6686879882266509
Energy: 0.6939963312105203
Energy: 0.695075661027306
Energy: 0.668804266038786
Energy: 0.693237699432933
Energy: 0.6935281791216253
Energy: 0.7879811159086854
Energy: 0.6953920999433019
Energy: 0.6936214438699024
Energy: 0.6973615861131015
Energy: 0.6733918553214774
Energy: 0.6938686133843093
Energy: 0.7730773374203741
Energy: 0.7756346717540806
Energy: 0.7756797818979015
Energy: 0.7700732689159946
Energy: 0.78073044010513
Energy: 0.7750526005685235
Energy: 0.6711342337765851
Energy: 0.7538742895238241
Energy: 0.7586777823183464
Energy: 0.6743374417740206
Energy: 0.7532866379893509
Energy: 0.7779860924201992
Energy: 0.8852561123874084
Energy: 0.7761954057705205
Energy: 0.7757770302038876
Energy: 0.7776837615954753
Energy: 0.7767251187756163
Energy: 0.7154983917749291
Energy: 0.773391839488741
Energy: 0.7436846216259396
Energy: 0.7646082755431219
Energy: 0.7841146338904366
Energy: 0.7437461295066808
Energy: 0.764594256533526
Energy: 0.7420039926833367
Energy: 0.7997999727811868
Energy: 0.7181682464113405
Energy: 0.7763904906825776
Energy: 0.8001076175180429
Energy: 0.7750448296535992
Energy: 0.7586893046662093
Energy: 0.7774455050641144
Energy: 0.8633053814461584
Energy: 0.7048879135461832
Energy: 0.7786890591867965
Energy: 0.8628521148256182

minimum gb energy = 0.645405551544543 eV
minimum distance =  2.60465295333595 Angstroms
sigma value = 17


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

Energy: 0.627922279808112
Energy: 0.8318417981117454
Energy: 0.7269906950643653
Energy: 0.6899734301218019
Energy: 1.0022989064665395
Energy: 0.6863248093608666
Energy: 0.8408250129913601
Energy: 0.7862630398465266
Energy: 0.6549374775827158
Energy: 0.7899516909606131
Energy: 0.7815451839434696
Energy: 0.7160180699613247
Energy: 0.910025129928065
Energy: 0.656714454776086
Energy: 0.6922887557461973
Energy: 0.790307805785028
Energy: 0.656832132746166
Energy: 0.699956004987465
Energy: 0.7856807589564502
Energy: 0.6991861770913708
Energy: 0.699363370577441
Energy: 0.7869203275532368
Energy: 0.6634156010083448
Energy: 0.6986326637773317
Energy: 0.6722050113446165
Energy: 0.6678361022577202
Energy: 0.6820558432076099
Energy: 0.6737077328885245
Energy: 0.6646645405448063
Energy: 0.6731793082639013
Energy: 0.6001385828167135
Energy: 0.6630340712045035
Energy: 0.6446361367910735
Energy: 0.6420202435924214
Energy: 0.662175369615291
Energy: 0.6451343026459526
Energy: 0.6239044063052372
Energy: 0.6700285310213936
Energy: 0.6608216811773271
Energy: 0.6371043385451123
Energy: 0.6654742222779905
Energy: 0.6495601574731255
Energy: 0.6129234815325282
Energy: 0.6353652015859597
Energy: 0.6449790576613559
Energy: 0.6404881775024169
Energy: 0.6350370935670676
Energy: 0.6451159446167457
Energy: 0.6121683479314423
Energy: 0.6341226433264637
Energy: 0.6126723980539109
Energy: 0.6136619788725604
Energy: 0.6271462784440978
Energy: 0.6108650209079264
Energy: 0.611669663276623
Energy: 0.6374278194910391
Energy: 0.6380307232261822
Energy: 0.6119608471573199
Energy: 0.6366879794233098
Energy: 0.6378407220803993
Energy: 0.6606008335062906
Energy: 0.6123775653543951
Energy: 0.6371543403047936
Energy: 0.6379073022144249
Energy: 0.6117476406806033
Energy: 0.6383261020547107
Energy: 0.614702234867093
Energy: 0.6216479911521258
Energy: 0.6109408172693682
Energy: 0.6236362219857002
Energy: 0.6172763745272654
Energy: 0.61263670399177
Energy: 0.6246568771441131
Energy: 0.6358255321443033
Energy: 0.6437648873313442
Energy: 0.6432342788840426
Energy: 0.6356394792433278
Energy: 0.643664668587598
Energy: 0.6609231235916996
Energy: 0.6377477198942733
Energy: 0.6430067515609338
Energy: 0.6625357254670899
Energy: 0.6447762587519923
Energy: 0.6610807266379061
Energy: 0.662124347940395
Energy: 0.6498482850966859
Energy: 0.6484504970031336
Energy: 0.661996964407111
Energy: 0.6445968086014384
Energy: 0.6707284619764345
Energy: 0.8518482030688161
Energy: 0.6644470026406619
Energy: 0.6814634375088807
Energy: 0.6630219733859108
Energy: 0.6959726121321305
Energy: 0.6799310211469414
Energy: 0.690569106712895
Energy: 0.7812580250999326
Energy: 0.7800104413359296
Energy: 0.6218806674778211
Energy: 0.7880538811483506
Energy: 0.6607240071780571
Energy: 0.6907571338793594
Energy: 0.7813287262418571
Energy: 0.7819191010335221
Energy: 0.6839134499874541
Energy: 0.7864707171677052
Energy: 0.6812245260348037
Energy: 0.8663638153839162
Energy: 0.7823978288607023
Energy: 0.7244702176085853
Energy: 0.7812907808604928
Energy: 0.6604700209535992
Energy: 0.6795491057050972
Energy: 0.8406105173337886
Energy: 0.6861335336364583
Energy: 0.6963105864415261
Energy: 0.8865124879175151
Energy: 0.685437778850974
Energy: 0.7585254333904761
Energy: 0.9118941777487893
Energy: 0.779951719376281
Energy: 0.6801493787947663
Energy: 0.7835663914913605
Energy: 0.787961105120948
Energy: 0.7782097982897226
Energy: 0.7787735051247299
Energy: 0.7801056339640526
Energy: 0.8266897648990951
Energy: 0.6982026291592875
Energy: 0.7910401147093851
Energy: 0.6990811656700365
Energy: 0.7836426059236404
Energy: 0.7875680467386417
Energy: 0.7797979607085695
Energy: 0.7150054582839511
Energy: 0.7845266196172432
Energy: 0.7603649383424164
Energy: 0.9069821439335819
Energy: 0.6872322530546087
Energy: 0.6803445978492639
Energy: 0.7833318607964967
Energy: 0.6532630183657188
Energy: 0.7778484762115382
Energy: 0.7789051796196262
Energy: 0.6314587545899218
Energy: 0.693188684471637
Energy: 0.7791168936057394
Energy: 0.6347077721508291
Energy: 0.701344659378777
Energy: 0.6759143166754333
Energy: 0.6647002162807352
Energy: 0.6817451972573074
Energy: 0.699827581370182
Energy: 0.6669368828387052
Energy: 0.7220325282599843
Energy: 0.5995209078940718
Energy: 0.6646149349200238
Energy: 0.6648751088324013
Energy: 0.6513015340317457
Energy: 0.6854273737819826
Energy: 0.6449382016046339
Energy: 0.6609324792140006
Energy: 0.6695838833078839
Energy: 0.6603820991984769
Energy: 0.6621142015395084
Energy: 0.6641392399647409
Energy: 0.6599521850092527
Energy: 0.6133616656254748
Energy: 0.6445238274338214
Energy: 0.6459859630203132
Energy: 0.6341434288902286
Energy: 0.6227901018111427
Energy: 0.6440302680766743
Energy: 0.6243729893762747
Energy: 0.6349401933238442
Energy: 0.644549320705596
Energy: 0.6110386532192998
Energy: 0.634905217908922
Energy: 0.6373424597719111
Energy: 0.6172744391598336
Energy: 0.6349458416187718
Energy: 0.635498728075706
Energy: 0.6186620652471981
Energy: 0.6345701383585658
Energy: 0.625273043615976
Energy: 0.623841467687755
Energy: 0.6343536807845727
Energy: 0.6347292092154987
Energy: 0.635014260442377
Energy: 0.634602438259087
Energy: 0.6347653839625549
Energy: 0.6237134074234335
Energy: 0.618558749215312
Energy: 0.6105503723203876
Energy: 0.6134745710987974
Energy: 0.6127158274977682
Energy: 0.6104445386292786
Energy: 0.6127385857507309
Energy: 0.6462246573774909
Energy: 0.6466244110373739
Energy: 0.6417259318308746
Energy: 0.6368153095264536
Energy: 0.6422489622687684
Energy: 0.6702721851428338
Energy: 0.6361206283036658
Energy: 0.64573117207748
Energy: 0.6717919619654875
Energy: 0.6357727884430667
Energy: 0.6433433895975016
Energy: 0.6712014436782467
Energy: 0.6451873852410662
Energy: 0.6824262600554064
Energy: 0.6721238002591089
Energy: 0.6444545875880225
Energy: 0.6627709771615939
Energy: 0.8421690216079216
Energy: 0.670790125355863
Energy: 0.6717520177801168
Energy: 0.6666057428861737
Energy: 0.6166203522625521
Energy: 0.6808597362748172
Energy: 0.6120916548281077
Energy: 0.7866817576927554
Energy: 0.7803059382936234
Energy: 0.6729355205947176
Energy: 0.7806256351690775
Energy: 0.6800583314440178
Energy: 0.6114814332423089
Energy: 0.769543875857476
Energy: 0.687424443049345
Energy: 0.6815115352222229
Energy: 0.7680585741761666
Energy: 0.6876014129567448
Energy: 0.7627383293435648
Energy: 0.7876288323497713
Energy: 0.7809110173798917
Energy: 0.6748434118815867
Energy: 0.7822654901024203
Energy: 0.7220430081909156
Energy: 0.8749944443040165
Energy: 0.6683723011195769
Energy: 0.7347936264922125
Energy: 0.7802946711082525
Energy: 0.6685809041375165
Energy: 0.7640850911412655
Energy: 0.9072863612016708
Energy: 0.7285418527164351
Energy: 0.6798429449123997
Energy: 0.7838447720965084
Energy: 0.6739701126728965
Energy: 0.7793199663021887
Energy: 0.7852652409520282
Energy: 0.7865596477231286
Energy: 0.7806882376217501
Energy: 0.7161671251964565
Energy: 0.7828456947682068
Energy: 0.758997743858914

minimum gb energy = 0.5995209078940718 eV
minimum distance =  2.58422225422755 Angstroms
sigma value = 57


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

Energy: 0.5780030228336924
Energy: 0.7429480949464037
Energy: 0.7064782259202065
Energy: 0.6325653328685468
Energy: 0.9316409192900345
Energy: 0.7028423308839091
Energy: 0.838562051324573
Energy: 0.6618559579038488
Energy: 0.6701590023576458
Energy: 0.7736355995824001
Energy: 0.7656770718284488
Energy: 0.6462605283023329
Energy: 0.8705725477159272
Energy: 0.6216804558619287
Energy: 0.6280964974932266
Energy: 0.773197828426379
Energy: 0.6216704289945794
Energy: 0.6842749197035829
Energy: 0.7670415604090353
Energy: 0.628486385404052
Energy: 0.6851950574934006
Energy: 0.7684023451899408
Energy: 0.6602680898467315
Energy: 0.6932178937728973
Energy: 0.650504925746568
Energy: 0.6624339766143217
Energy: 0.6475199113722837
Energy: 0.6512305835002924
Energy: 0.6590789238988494
Energy: 0.6392926792681313
Energy: 0.5630816567742585
Energy: 0.657081662896636
Energy: 0.6253916279838
Energy: 0.6030343233102985
Energy: 0.6746888142846459
Energy: 0.6241375196685414
Energy: 0.7996980243539952
Energy: 0.6657676115761482
Energy: 0.6692378361894872
Energy: 0.6125235270516173
Energy: 0.6609350926038152
Energy: 0.6312730544749324
Energy: 0.7763339358560423
Energy: 0.5934332444655401
Energy: 0.5943400431884375
Energy: 0.652138635495372
Energy: 0.5924040181146023
Energy: 0.6075471942074298
Energy: 0.6010795701709775
Energy: 0.6140566785824813
Energy: 0.5962827666247192
Energy: 0.6018385762606434
Energy: 0.6034983950551943
Energy: 0.6127919561672008
Energy: 0.6135523801993603
Energy: 0.5915432223392937
Energy: 0.5911781612606696
Energy: 0.6137104184437696
Energy: 0.5922420300482385
Energy: 0.5909570807443847
Energy: 0.5757403365791005
Energy: 0.5694597095397536
Energy: 0.5968646955098711
Energy: 0.5853274635386209
Energy: 0.586707520740144
Energy: 0.5927537408336965
Energy: 0.6016919521013997
Energy: 0.5793634730461149
Energy: 0.5838901217815731
Energy: 0.5884949480730708
Energy: 0.5743838259310515
Energy: 0.5851347358916776
Energy: 0.5695935534579414
Energy: 0.5941605741314058
Energy: 0.5929399847594592
Energy: 0.5930361515760024
Energy: 0.597484761745129
Energy: 0.5922533088189722
Energy: 0.5717145824478368
Energy: 0.5877302399042403
Energy: 0.5692723103502283
Energy: 0.5731958555786832
Energy: 0.5952174737358071
Energy: 0.5858922900594403
Energy: 0.570203092596916
Energy: 0.5991149928002808
Energy: 0.5985580703526937
Energy: 0.5702271758937963
Energy: 0.5930340216974104
Energy: 0.5947511324011028
Energy: 0.7056797026432567
Energy: 0.6115955797514189
Energy: 0.5921898685366178
Energy: 0.5956942547810781
Energy: 0.6098102418690465
Energy: 0.5930929114840299
Energy: 0.5719972239645487
Energy: 0.6097645648997727
Energy: 0.5962914918352287
Energy: 0.6199817015625383
Energy: 0.6054112448598177
Energy: 0.6147188678289399
Energy: 0.5733059346186309
Energy: 0.6149488377003274
Energy: 0.6141478022389344
Energy: 0.5742002544072232
Energy: 0.6134543081851128
Energy: 0.6125400057427691
Energy: 0.6562857379076296
Energy: 0.6143409942164184
Energy: 0.609564876258799
Energy: 0.6586017146198262
Energy: 0.6216371051511652
Energy: 0.6713778633290118
Energy: 0.8197675922291658
Energy: 0.617186528035343
Energy: 0.6188406869912482
Energy: 0.6722510782213365
Energy: 0.6218332443746928
Energy: 0.6419294583404921
Energy: 0.8194128674593787
Energy: 0.6650431139178687
Energy: 0.6622959905348124
Energy: 0.6591017490216295
Energy: 0.6641935577618029
Energy: 0.6621580717923732
Energy: 0.6393119038477898
Energy: 0.7495094894021682
Energy: 0.6552325411878063
Energy: 0.6104903156495636
Energy: 0.7752921238149355
Energy: 0.6626842033006775
Energy: 0.6614898426676957
Energy: 0.7715780771790864
Energy: 0.7537478572698991
Energy: 0.6643726711615576
Energy: 0.7682032799570409
Energy: 0.7070703554681504
Energy: 0.8340963959126935
Energy: 0.65533756817367
Energy: 0.6428027116468618
Energy: 0.7648677984471557
Energy: 0.6569682021390219
Energy: 0.6648310812772912
Energy: 0.8766104776969905
Energy: 0.6537811944247011
Energy: 0.65956760277896
Energy: 0.7533860429768459
Energy: 0.6507075045693183
Energy: 0.7300869771464894
Energy: 0.8731272016882183
Energy: 0.7774810454807682
Energy: 0.7482017455037061
Energy: 0.7686534938832034
Energy: 0.7700156783338634
Energy: 0.6614963608762281
Energy: 0.7172645802067773
Energy: 0.7264034981911099
Energy: 0.69790314118919
Energy: 0.6260470957040355
Energy: 0.7541711874582795
Energy: 0.6960300137126978

minimum gb energy = 0.5630816567742585 eV
minimum distance =  2.57513037097751 Angstroms
sigma value = 43


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

Energy: 0.5994620912705221
Energy: 0.621494911911022
Energy: 0.6462549951356034
Energy: 0.5384304253163351
Energy: 0.6812006905011682
Energy: 0.5422702028095375
Energy: 0.7371357428120274
Energy: 0.544073140776198
Energy: 0.5386711713448016
Energy: 0.6383523937975216
Energy: 0.5979969935153175
Energy: 0.5361094207882952
Energy: 0.761178812553308
Energy: 0.5207452689171688
Energy: 0.5404989283873571
Energy: 0.6359284482042186
Energy: 0.5205406370011937
Energy: 0.5554025882451056
Energy: 0.662317613175319
Energy: 0.5395236085057588
Energy: 0.5551312817075114
Energy: 0.6235613256763747
Energy: 0.5620290340944438
Energy: 0.6009596772337783
Energy: 0.6632270578981798
Energy: 0.5445619110613805
Energy: 0.5353655154086094
Energy: 0.5711889139327011
Energy: 0.6008337131236224
Energy: 0.5356532552369295
Energy: 0.48540566839668836
Energy: 0.5963004938683149
Energy: 0.5314160178459705
Energy: 0.5050583961771399
Energy: 0.5959209075214735
Energy: 0.525244904488799
Energy: 0.7007448777181075
Energy: 0.5971516094496182
Energy: 0.5965184282405317
Energy: 0.5389028691221347
Energy: 0.6019542305637614
Energy: 0.5113487637963263
Energy: 0.691369541461618
Energy: 0.49820700500694637
Energy: 0.5068207450249299
Energy: 0.5382119140219691
Energy: 0.4983930464808027
Energy: 0.5062594007333352
Energy: 0.5462671141382192
Energy: 0.5067297520904271
Energy: 0.5435536503367914
Energy: 0.5478444199991231
Energy: 0.4977520822056815
Energy: 0.5435622422335628
Energy: 0.5442974604388497
Energy: 0.49762089450841734
Energy: 0.49771099803591057
Energy: 0.5444775722808554
Energy: 0.49567988808055474
Energy: 0.49696226853646347
Energy: 0.4805185208386984
Energy: 0.5108023929386478
Energy: 0.4941883826108138
Energy: 0.4925062433380638
Energy: 0.5107850637836364
Energy: 0.49206992875780775
Energy: 0.5489615514190769
Energy: 0.5111694929891496
Energy: 0.5112466434917681
Energy: 0.4916144255088732
Energy: 0.5190596452801614
Energy: 0.49036787478136906
Energy: 0.6553556603515326
Energy: 0.5139189008840598
Energy: 0.5156687630919946
Energy: 0.5285662272601513
Energy: 0.4828121656231032
Energy: 0.5270366916335181
Energy: 0.49180464994759937
Energy: 0.49647446375709875
Energy: 0.4919552788570008
Energy: 0.49351535043913214
Energy: 0.4826547459737599
Energy: 0.491839864491121
Energy: 0.4916614737417447
Energy: 0.4849022818449445
Energy: 0.48585189930998357
Energy: 0.49170451298763407
Energy: 0.4848437494767954
Energy: 0.4855198935173974
Energy: 0.48600863895861823
Energy: 0.4829452877708071
Energy: 0.4834781418860851
Energy: 0.4822528627432397
Energy: 0.4827535515172782
Energy: 0.483683853097353
Energy: 0.49503455634629523
Energy: 0.4827837947900503
Energy: 0.48306303074564916
Energy: 0.49653638688241347
Energy: 0.482483666819357
Energy: 0.487335790355324
Energy: 0.48275342215950895
Energy: 0.48638779812949806
Energy: 0.48628837171105543
Energy: 0.4832941264646783
Energy: 0.486903338250939
Energy: 0.48639735118960986
Energy: 0.48254320542062445
Energy: 0.491665771307129
Energy: 0.4831267822670979
Energy: 0.48414082088938803
Energy: 0.53696077764712
Energy: 0.4825856168010641
Energy: 0.4832684441496665
Energy: 0.49105660206718077
Energy: 0.49063877098103853
Energy: 0.48338570288266575
Energy: 0.49183774903970284
Energy: 0.4909908390770677
Energy: 0.5141750133495165
Energy: 0.491875995144097
Energy: 0.4919476554353179
Energy: 0.4930839179735742
Energy: 0.49171704694493157
Energy: 0.49157425256910825
Energy: 0.4842486216390409
Energy: 0.4920283657931691
Energy: 0.4920246587190267
Energy: 0.48659132699113977
Energy: 0.4917971737799966
Energy: 0.48695365221511455
Energy: 0.5114048447454206
Energy: 0.4890856746890552
Energy: 0.48853871521153236
Energy: 0.5109926060721725
Energy: 0.4876029711706001
Energy: 0.4878424533293019
Energy: 0.5111720140857259
Energy: 0.5113511191932961
Energy: 0.5108201099235286
Energy: 0.5129662947694715
Energy: 0.4930354247066502
Energy: 0.5109441629042746
Energy: 0.669987137805857
Energy: 0.5195069305633561
Energy: 0.4945959864956644
Energy: 0.528017513226101
Energy: 0.49303957342107185
Energy: 0.5275690645166791
Energy: 0.6356879774954913
Energy: 0.5443431787898181
Energy: 0.5439710319139497
Energy: 0.49646130328314364
Energy: 0.5511576065481059
Energy: 0.49349794642717926
Energy: 0.48305257031116916
Energy: 0.5439737208445073
Energy: 0.5390813534198365
Energy: 0.4979471940836732
Energy: 0.543676897307686
Energy: 0.5027272625159888
Energy: 0.5407322376882121
Energy: 0.5191196358620879
Energy: 0.5151947662650306
Energy: 0.597844090864856
Energy: 0.5390771780183407
Energy: 0.5153994234524826
Energy: 0.5983838191065899
Energy: 0.5220017290273814
Energy: 0.5962126705273227
Energy: 0.5999924703461162
Energy: 0.5083086041081368
Energy: 0.596655379310329
Energy: 0.7212511662653541
Energy: 0.5097490296177701
Energy: 0.5221402501828843
Energy: 0.5983853790877243
Energy: 0.5099288193655948
Energy: 0.5189290586240897
Energy: 0.7161611710268522
Energy: 0.5825370666078119
Energy: 0.5815074708082324
Energy: 0.5979013784762591
Energy: 0.6024511361807036
Energy: 0.5793741991445932
Energy: 0.5411324205476533
Energy: 0.6419313478327735
Energy: 0.5815992833431162
Energy: 0.5255505188368381
Energy: 0.6373363716141826
Energy: 0.5437391061294441
Energy: 0.6594002272848666
Energy: 0.5955895130332342
Energy: 0.5980427462774385
Energy: 0.5959428214848401
Energy: 0.6843662886546902
Energy: 0.5843816904740303
Energy: 0.715271912994461
Energy: 0.5501483015402496
Energy: 0.5713301707481707
Energy: 0.6216012345119345
Energy: 0.5980786442581653
Energy: 0.6289506338770964
Energy: 0.7617562768021767
Energy: 0.5446307281434218
Energy: 0.5883278215496863
Energy: 0.6398321554008236
Energy: 0.5445915221548457
Energy: 0.5884571255549528
Energy: 0.6994918341090112
Energy: 0.5948792876351652
Energy: 0.5977422820355643
Energy: 0.6368193616434964
Energy: 0.6383720897959065
Energy: 0.5379703341154116

minimum gb energy = 0.4805185208386984 eV
minimum distance =  2.59930905206788 Angstroms
sigma value = 81


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

Energy: 0.02241582597910166
Energy: 0.05986662898618621
Energy: 0.023081796364157796
Energy: 0.025062920882726658
Energy: 0.02354698497632888
Energy: 0.023296188723061134
Energy: 0.06039202728237143
Energy: 0.02380653010870491
Energy: 0.023680844844779857
Energy: 0.060451559848418296
Energy: 0.027307948560755073
Energy: 0.023710352645257938
Energy: 0.05882098219832644
Energy: 0.02347221711713658
Energy: 0.023560416469181493
Energy: 0.05893617028860592
Energy: 0.02308935502879511
Energy: 0.059294802494618444
Energy: 0.025827453129437274
Energy: 0.023351746191183544
Energy: 0.023541979926992404
Energy: 0.023671636330105703
Energy: 0.02327229379174788
Energy: 0.05980600031449478
Energy: 0.05938235261867791
Energy: 0.05870342435520453
Energy: 0.059062623811819426
Energy: 0.06007953807094878
Energy: 0.05856839334353929
Energy: 0.05903881608664549
Energy: 0.023750854735956492
Energy: 0.023616977314803052
Energy: 0.023579105053803298
Energy: 0.025501849240633475
Energy: 0.024236429788928163
Energy: 0.023074208497948126
Energy: 0.06058478199690626
Energy: 0.023973720295078004
Energy: 0.023764736905828
Energy: 0.058763330141064565
Energy: 0.02417083460133369
Energy: 0.0236260839789984
Energy: 0.058513590508262124
Energy: 0.023246041430478644
Energy: 0.02321741352777634
Energy: 0.05887004340232091
Energy: 0.023118773802372986
Energy: 0.0614886468940231
Energy: 0.02508388354419737
Energy: 0.023416583269804187
Energy: 0.06164674935912228
Energy: 0.02649068064456755
Energy: 0.02314790865420341
Energy: 0.06112830772994177
Energy: 0.024091771047880454
Energy: 0.05851289347108184
Energy: 0.05862883910198836
Energy: 0.023702023648447524
Energy: 0.05877864116388081
Energy: 0.05863910312956094

minimum gb energy = 0.02241582597910166 eV
minimum distance =  2.74826695382868 Angstroms
sigma value = 3


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

Energy: 0.6312836960103914
Energy: 0.6518138611843629
Energy: 0.6073781853040463
Energy: 0.5440643039028681
Energy: 0.6180069424334199
Energy: 0.5470429726823322
Energy: 0.641842404018903
Energy: 0.589586793087395
Energy: 0.5848708093207973
Energy: 0.6066923985989083
Energy: 0.6243106044808346
Energy: 0.5849865613808543
Energy: 0.6414333586181186
Energy: 0.5850280626699065
Energy: 0.526562750374017
Energy: 0.6278039202074319
Energy: 0.5234909191227481
Energy: 0.6335320919758748
Energy: 0.5883912037641772
Energy: 0.5241632287881709
Energy: 0.5226004275387164
Energy: 0.587558431893312
Energy: 0.5211630648838124
Energy: 0.5542196247987635
Energy: 0.5342012648982553
Energy: 0.5885646122706999
Energy: 0.5606852203113768
Energy: 0.5318975453091491
Energy: 0.6245120773984226
Energy: 0.5843053929538325
Energy: 0.4889616997357538
Energy: 0.5645867324825172
Energy: 0.5728165927415869
Energy: 0.5004680767938622
Energy: 0.5589912888739701
Energy: 0.5226660747456197
Energy: 0.6028720552989943
Energy: 0.5444402431178079
Energy: 0.5404605038248131
Energy: 0.6012669347594072
Energy: 0.5448643272060862
Energy: 0.6050875454426651
Energy: 0.5815126839763901
Energy: 0.4961674759173109
Energy: 0.5310660260263274
Energy: 0.5819814536791357
Energy: 0.46690232128476344
Energy: 0.538466383732039
Energy: 0.5008481899771648
Energy: 0.5872817665948037
Energy: 0.6093720233011051
Energy: 0.523412001716743
Energy: 0.4945823156307851
Energy: 0.609242700052679
Energy: 0.500073894419859
Energy: 0.5429553656633492
Energy: 0.5426158255290073
Energy: 0.5001783975766918
Energy: 0.543234297144443
Energy: 0.5410371455260632
Energy: 0.4715246599587019
Energy: 0.5443702505311845
Energy: 0.5434872871523568
Energy: 0.475968911574329
Energy: 0.47565466333499845
Energy: 0.4983047889134277
Energy: 0.5043708097515088
Energy: 0.5982512606703514
Energy: 0.5994730615955882
Energy: 0.5045582226640941
Energy: 0.5333353481455378
Energy: 0.49988945097128623
Energy: 0.5147545711089385
Energy: 0.5115257290622605
Energy: 0.5020221358854312
Energy: 0.5161332521751161
Energy: 0.4614433246172942
Energy: 0.5095927109272538
Energy: 0.46098779146259083
Energy: 0.4733457032136535
Energy: 0.5728848247524119
Energy: 0.5045099878060949
Energy: 0.4720640922950585
Energy: 0.5739749474238973
Energy: 0.46003307150936007
Energy: 0.4742640719084509
Energy: 0.47407311251223355
Energy: 0.505816347978109
Energy: 0.47988108066082125
Energy: 0.47386221107136056
Energy: 0.4587437866907359
Energy: 0.47530491837698985
Energy: 0.5584309466172639
Energy: 0.4626977134933413
Energy: 0.5655786235180624
Energy: 0.5587860586062123
Energy: 0.46165340954952944
Energy: 0.5628809936942174
Energy: 0.4598647967217964
Energy: 0.46247374744276865
Energy: 0.47616258377383675
Energy: 0.4581703945641598
Energy: 0.45857553415108804
Energy: 0.551878055571006
Energy: 0.5643112222280723
Energy: 0.4586572723323108
Energy: 0.4609931927525179
Energy: 0.46160312386340907
Energy: 0.5218056972100861
Energy: 0.4598708206821799
Energy: 0.5480241867966905
Energy: 0.46228955246590053
Energy: 0.4596863643758319
Energy: 0.5607682283068542
Energy: 0.5646387831017416
Energy: 0.4593161593347195
Energy: 0.4583019602293599
Energy: 0.5643430482187338
Energy: 0.46338089476810945
Energy: 0.4582649049940413
Energy: 0.5617831304527365
Energy: 0.5595343162372803
Energy: 0.5591395132712162
Energy: 0.47539869213550395
Energy: 0.5586160532403289
Energy: 0.5588866624934542
Energy: 0.47873052382632647
Energy: 0.5572322091167522
Energy: 0.4768791044433904
Energy: 0.479712260071923
Energy: 0.5567098725151148
Energy: 0.4752378981763269
Energy: 0.47179281677681506
Energy: 0.5744278429242214
Energy: 0.5752505079295241
Energy: 0.47172785342748713
Energy: 0.5758126774691107
Energy: 0.5766740666622151
Energy: 0.46387698872884175
Energy: 0.5085035103143623
Energy: 0.510837762393042
Energy: 0.4642719212600482
Energy: 0.5080216551582581
Energy: 0.48362046420121607
Energy: 0.4753979741557414
Energy: 0.5033215039106929
Energy: 0.5002789523562248
Energy: 0.473216122516442
Energy: 0.5033880352848599
Energy: 0.49985894551427557
Energy: 0.4728796720237739
Energy: 0.48200112734250605
Energy: 0.5169948039787455
Energy: 0.4732858497867001
Energy: 0.45975853502344743
Energy: 0.5666527846381281
Energy: 0.5611012003185828
Energy: 0.5780973546864978
Energy: 0.549493534855064
Energy: 0.5620964138578934
Energy: 0.4815613373122195
Energy: 0.5417731595933468
Energy: 0.5147241359911071
Energy: 0.5650975218487684
Energy: 0.559431199729785
Energy: 0.5148931414398374
Energy: 0.5648361036900547
Energy: 0.5581479069625885
Energy: 0.4767509826125354
Energy: 0.5971458766165177
Energy: 0.559915256696406
Energy: 0.48614972376880283
Energy: 0.5969433405056637
Energy: 0.5162907253090397
Energy: 0.5459375431350453
Energy: 0.5844032972467053
Energy: 0.5843939543928426
Energy: 0.5458992068474459
Energy: 0.6028103618290239
Energy: 0.5855992699051031
Energy: 0.5374084779176016
Energy: 0.5096734609690612
Energy: 0.547564340548354
Energy: 0.5377799472567705
Energy: 0.4728821639273068
Energy: 0.5490369453030259
Energy: 0.6417702756794637
Energy: 0.5978660848628408
Energy: 0.518450739601619
Energy: 0.5871413353057805
Energy: 0.5080298128902504
Energy: 0.5849140431429821
Energy: 0.5466392233515491
Energy: 0.5883083025868905
Energy: 0.584612961179585
Energy: 0.5465558624189493
Energy: 0.588870858754721
Energy: 0.5595952660914891

minimum gb energy = 0.4581703945641598 eV
minimum distance =  2.59204168269088 Angstroms
sigma value = 67


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

Energy: 0.6664506488860819
Energy: 0.7621278538127114
Energy: 0.7252016418627734
Energy: 0.5887631731945747
Energy: 0.7788605362870757
Energy: 0.7275677844219613
Energy: 0.7386402409641136
Energy: 0.6918790428488567
Energy: 0.6943057147026641
Energy: 0.6802407151284665
Energy: 0.7085900396440807
Energy: 0.6289221511931439
Energy: 0.7530359579592029
Energy: 0.6233069363145752
Energy: 0.6482496745672929
Energy: 0.7530490803111425
Energy: 0.6577733808789692
Energy: 0.706964671203746
Energy: 0.6881677966266436
Energy: 0.68838517432798
Energy: 0.6194924626497504
Energy: 0.6877759006292306
Energy: 0.6503984151895901
Energy: 0.6193712463663479
Energy: 0.6801586304218692
Energy: 0.6901354962081588
Energy: 0.6241133443197866
Energy: 0.6801430362668647
Energy: 0.7278370632920582
Energy: 0.6261740376887915
Energy: 0.5743546643842532
Energy: 0.6708744297958804
Energy: 0.6816803507864694
Energy: 0.6167249320507769
Energy: 0.6709729353086347
Energy: 0.6819375890934373
Energy: 0.7183974612904391
Energy: 0.624151615724579
Energy: 0.6247771044626919
Energy: 0.7197119959697581
Energy: 0.6226583972319611
Energy: 0.6214231406556142
Energy: 0.7016688669828435
Energy: 0.5798226998716982
Energy: 0.6151754398372937
Energy: 0.7028147963191199
Energy: 0.5753021230128985
Energy: 0.6829193879902551
Energy: 0.5790943978881424
Energy: 0.6549638254120284
Energy: 0.65128060916075
Energy: 0.72970442044182
Energy: 0.6144179086128498
Energy: 0.6494364666645549
Energy: 0.5740678407398951
Energy: 0.6221646634550579
Energy: 0.6264767498289913
Energy: 0.5736588646569981
Energy: 0.6173441065413813
Energy: 0.615076807667769
Energy: 0.575517582953981
Energy: 0.6234830127370142
Energy: 0.619024131712413
Energy: 0.5753892655036613
Energy: 0.6040714119122362
Energy: 0.6191186588703671
Energy: 0.580028504501038
Energy: 0.6976250849223724
Energy: 0.6982799872528684
Energy: 0.58136818800744
Energy: 0.6473878142795483
Energy: 0.5732092611769706
Energy: 0.5803533677918274
Energy: 0.5826398743343048
Energy: 0.5770123493606115
Energy: 0.5816419011479306
Energy: 0.5767884590119357
Energy: 0.5729790215319568
Energy: 0.6042949871082675
Energy: 0.5929553699273891
Energy: 0.6443055017642616
Energy: 0.5756003694331304
Energy: 0.5731556506948907
Energy: 0.6916736354731092
Energy: 0.641513314528443
Energy: 0.5796350952466096
Energy: 0.5841956969192914
Energy: 0.6423152126677707
Energy: 0.5745556624365229
Energy: 0.5725860393866042
Energy: 0.5772790258762868
Energy: 0.646008533463787
Energy: 0.7024590741591829
Energy: 0.6477450460896659
Energy: 0.573890227628433
Energy: 0.6993450446985109
Energy: 0.6181057669840879
Energy: 0.5698826267196897
Energy: 0.5839761902572734
Energy: 0.6192660019403017
Energy: 0.5650186637774408
Energy: 0.615287963155655
Energy: 0.6252796085960807
Energy: 0.650129650616566
Energy: 0.6517889016510762
Energy: 0.6267058348506608
Energy: 0.6491833351926917
Energy: 0.615484339438204
Energy: 0.5666123713323249
Energy: 0.6434277440093015
Energy: 0.6506617013141893
Energy: 0.5857208554501085
Energy: 0.6450458256552632
Energy: 0.6493691636462372
Energy: 0.615247688535826
Energy: 0.6925400710046304
Energy: 0.6238640009273381
Energy: 0.6152885833397312
Energy: 0.6879826636376831
Energy: 0.6265658095762825
Energy: 0.6246181423138772
Energy: 0.653638792914562
Energy: 0.5830613038917433
Energy: 0.6256048892042911
Energy: 0.5892508515951664
Energy: 0.5970488536360709
Energy: 0.751495578851237
Energy: 0.5906012976133466
Energy: 0.6380481556567542
Energy: 0.7452053012021703
Energy: 0.5862498417113805
Energy: 0.6607729036086759
Energy: 0.7387311530715502
Energy: 0.692917083972651
Energy: 0.6812157909232218
Energy: 0.7408824300943483
Energy: 0.6891562107005871
Energy: 0.6248090727852578

minimum gb energy = 0.5650186637774408 eV
minimum distance =  2.5795877339308 Angstroms
sigma value = 33


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

Energy: 1.1124178544556667
Energy: 0.9102293723158956
Energy: 0.9091126034484482
Energy: 0.7945145077324499
Energy: 0.7168460651271149
Energy: 0.7946457398769685
Energy: 0.7830908347692813
Energy: 0.7272307738134456
Energy: 0.7294774795815872
Energy: 0.7276488209470209
Energy: 0.7278215459008069
Energy: 0.7240067895164191
Energy: 0.8300975348806832
Energy: 0.720828927613565
Energy: 0.6788628830010295
Energy: 0.8308777423296464
Energy: 0.7222327980645813
Energy: 0.7262429069560997
Energy: 0.7243208385183024
Energy: 0.720772374321441
Energy: 0.6804461572489484
Energy: 0.7257195836298211
Energy: 0.6799829683185076
Energy: 0.6493491984351994
Energy: 0.7239656510271584
Energy: 0.7266364702991998
Energy: 0.7290349802871432
Energy: 0.7237996163725595
Energy: 0.7273435933260884
Energy: 0.6489597859144673
Energy: 0.6380842004709016
Energy: 0.6400673963237145
Energy: 0.6403261951547637
Energy: 0.6421140344714571
Energy: 0.6416812348169153
Energy: 0.7241062865063915
Energy: 0.724231228758268
Energy: 0.6424727022148332
Energy: 0.6414162686402559
Energy: 0.7243684702188029
Energy: 0.6403885190091649
Energy: 0.6555253116680937
Energy: 0.7276172218585649
Energy: 0.6393427229810581
Energy: 0.6808852736566243
Energy: 0.7283572343238508
Energy: 0.6433417094088579
Energy: 0.7242116131913247
Energy: 0.6406668380427977
Energy: 0.7259466755986862
Energy: 0.6522617667083895
Energy: 0.6509529849192526
Energy: 0.6394826306533778
Energy: 0.6508917820531545
Energy: 0.6391885789869245
Energy: 0.6478222769355496
Energy: 0.6392423706313656
Energy: 0.6412999649969028
Energy: 0.641886165108919
Energy: 0.6398919374815124
Energy: 0.6857462899515633
Energy: 0.6639676450006019
Energy: 0.6400816885041082
Energy: 0.6432520472032434
Energy: 0.6399518576458013
Energy: 0.6415483644479357
Energy: 0.6390354448548812
Energy: 0.6416332135655609
Energy: 0.639799986813672
Energy: 0.6390722940732164
Energy: 0.7666011807225309
Energy: 0.639553834077363
Energy: 0.6390310304967323
Energy: 0.6517307092964615
Energy: 0.63996622769692
Energy: 0.6391413481726139
Energy: 0.6518400016847472
Energy: 0.6394315501498902
Energy: 0.6174514391499547
Energy: 0.6865208520726918
Energy: 0.6517784703858622
Energy: 0.620740457925405
Energy: 0.6891293125986058
Energy: 0.6608277535721172
Energy: 0.6173301592979453
Energy: 0.731255624973171
Energy: 0.7249746029150939
Energy: 0.617232277008669
Energy: 0.7273289910378857
Energy: 0.6517765865953861
Energy: 0.6534835231855005
Energy: 0.662175035225218
Energy: 0.6720419132147578
Energy: 0.6531403946805273
Energy: 0.6590045610655685
Energy: 0.6511045903873122
Energy: 0.8310732806597795
Energy: 0.6587062797914899
Energy: 0.6609495701182927
Energy: 0.8310216232922327
Energy: 0.6625360417205315
Energy: 0.7120178863633774
Energy: 0.8494392708602188
Energy: 0.7237234766568387
Energy: 0.7234004059197217
Energy: 0.7285723142074111
Energy: 0.7236279736329891
Energy: 0.640383108991516
Energy: 0.6575608056347061
Energy: 0.7373707144418726
Energy: 0.7948192491837376
Energy: 0.6624227269433722
Energy: 0.7369195222399207
Energy: 0.7075421446766413
Energy: 0.7839285357191735
Energy: 0.7265103788196642
Energy: 0.7286817400179505
Energy: 0.7838659127453363
Energy: 0.7277733309652209
Energy: 0.723686922535239
Energy: 0.8723789536496951
Energy: 0.7201964336611117
Energy: 0.6804516569228598
Energy: 0.7394995250113258
Energy: 0.746597266160105
Energy: 0.7262251843927975
Energy: 0.7240311112003734
Energy: 0.7212063186311637
Energy: 0.678998186041157
Energy: 0.7244606506949117
Energy: 0.7241315537152322
Energy: 0.6491212430528905
Energy: 0.7238490941053702
Energy: 0.7277244385404709
Energy: 0.6524711663492336
Energy: 0.7239133189657204
Energy: 0.7288200259032414
Energy: 0.6542953496161116
Energy: 0.6374179769883719
Energy: 0.7177787983459165
Energy: 0.6405028187097949
Energy: 0.6403298883734243
Energy: 0.7165573738720203
Energy: 0.7356365785338724
Energy: 0.723339423767131
Energy: 0.6429871131762657
Energy: 0.6421195426323519
Energy: 0.7231470350322917
Energy: 0.6430202572917514
Energy: 0.6948225201853481
Energy: 0.7252544085304888
Energy: 0.639361837773282
Energy: 0.6804183146366285
Energy: 0.726864288539093
Energy: 0.6428574768363446
Energy: 0.7243462555193226
Energy: 0.6410649619963887
Energy: 0.6396623004296735
Energy: 0.6418087407830919
Energy: 0.6524690707830267
Energy: 0.6618479405415186
Energy: 0.6516548250390879
Energy: 0.6406313485925822
Energy: 0.6489607642698673
Energy: 0.6391704156188843
Energy: 0.6400532215181614
Energy: 0.6434145135748586
Energy: 0.6400293255773806
Energy: 0.6876377770948007
Energy: 0.6393612999810405
Energy: 0.6427556209249302
Energy: 0.6454649111852091
Energy: 0.6393789020561558
Energy: 0.6431250484771736
Energy: 0.6391167216220647
Energy: 0.6422437243910615
Energy: 0.6405665856243575
Energy: 0.6391439169767293
Energy: 0.7648553583482454
Energy: 0.6395670685845959
Energy: 0.6480453901219589
Energy: 0.6521595740775777
Energy: 0.639574101713097
Energy: 0.6491252137027238
Energy: 0.6507893486684244
Energy: 0.6396433311039094
Energy: 0.6178642186100058
Energy: 0.649549095890323
Energy: 0.6510402647672516
Energy: 0.6194460855109556
Energy: 0.6865734026546308
Energy: 0.6616610307872751
Energy: 0.6170703762386464
Energy: 0.7311119078917961
Energy: 0.724496914047567
Energy: 0.6175597952801538
Energy: 0.726602161878807
Energy: 0.6825355693762473
Energy: 0.6517528076077266
Energy: 0.6736747224039313
Energy: 0.6427694418465107
Energy: 0.6523199349679052
Energy: 0.6588512053919668
Energy: 0.651722304009966
Energy: 0.8284112412595485
Energy: 0.6588934062306963
Energy: 0.7415010634478275
Energy: 0.8290563743008249
Energy: 0.6233315581584349
Energy: 0.7114720062994763
Energy: 0.8465056652101555
Energy: 0.7234274430288838
Energy: 0.7238179465603077
Energy: 0.7282948984769182
Energy: 0.7234405143694345
Energy: 0.6496801496191686
Energy: 0.658863281902844
Energy: 0.738851039510317
Energy: 0.6593957879101048
Energy: 0.6621837443482201
Energy: 0.7387178431219783
Energy: 0.7115118590636141

minimum gb energy = 0.6170703762386464 eV
minimum distance =  2.59339540439155 Angstroms
sigma value = 41


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

Energy: 0.9586166800958724
Energy: 0.9762495091796226
Energy: 0.978786144737401
Energy: 0.795753610585759
Energy: 1.1567507102979238
Energy: 0.9793113579878809
Energy: 0.7863549689184656
Energy: 0.7410911920044424
Energy: 0.7394595782366769
Energy: 0.7621095933275721
Energy: 0.7415473768181267
Energy: 0.738316849300149
Energy: 0.8460652016158283
Energy: 0.7362061229147968
Energy: 0.7397979969694415
Energy: 0.8471634241477549
Energy: 0.737982985304977
Energy: 0.7379512220187839
Energy: 0.7640210933345768
Energy: 0.7380001420905006
Energy: 0.7008869436686254
Energy: 0.7643516093788979
Energy: 0.7397147838651581
Energy: 0.8238551271581489
Energy: 0.737226165271872
Energy: 0.7419722186464336
Energy: 0.7423589970154728
Energy: 0.7370253196460992
Energy: 0.7409239786981339
Energy: 0.7210152289601053
Energy: 0.7935164317017197
Energy: 0.8843349356394243
Energy: 0.9048822227431608
Energy: 0.7023293842676421
Energy: 0.8854750249181508
Energy: 0.7378949405339372
Energy: 0.7371460383366516
Energy: 0.7199766353609313
Energy: 0.703773644441767
Energy: 0.737333842141986
Energy: 0.7233751107984919
Energy: 0.7380864443824252
Energy: 0.7401917467108056
Energy: 0.7378229430038952
Energy: 0.7373637889226505
Energy: 0.7418441526492433
Energy: 0.7052556034153452
Energy: 0.7378123323769781
Energy: 0.869582972319945
Energy: 0.8670087350539453
Energy: 0.7027181117355924
Energy: 0.6842290888713582
Energy: 0.7369181637616143
Energy: 0.7019062880754395
Energy: 0.797701403479911
Energy: 0.7441859053259435
Energy: 0.7383371650712028
Energy: 0.7073497624339746
Energy: 0.7384995443940273
Energy: 0.7379337977933936
Energy: 0.7561669928318235
Energy: 0.7387887992540714
Energy: 0.7183499748222494
Energy: 0.7042726322361708
Energy: 0.6835856234865768
Energy: 0.7046846591113042
Energy: 0.8429161900622352
Energy: 0.7527329047164005
Energy: 0.7898215825162964
Energy: 0.8427748660306835
Energy: 0.6841334146588358
Energy: 0.7989363657363757
Energy: 0.8512904026650002
Energy: 0.7380613488124189
Energy: 0.7612659061883493
Energy: 0.7580442958739301
Energy: 0.737301450059692
Energy: 0.7382874907571222
Energy: 0.6825565483469429
Energy: 0.9021351730937672
Energy: 0.7017219779776571
Energy: 0.6892475399316091
Energy: 0.898111822655409
Energy: 0.7885459599552366

minimum gb energy = 0.6825565483469429 eV
minimum distance =  2.58795155988743 Angstroms
sigma value = 11


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

Energy: 0.7661901416101553
Energy: 0.9814741757735987
Energy: 0.8682756523655824
Energy: 0.9905976956110344
Energy: 1.0870413659125167
Energy: 0.95129160619984
Energy: 0.9095658642732417
Energy: 0.7836886360697815
Energy: 0.7838224932886376
Energy: 0.882544041576475
Energy: 0.7838670332731327
Energy: 0.7851178936729921
Energy: 0.9066849863570017
Energy: 0.8133744419400477
Energy: 0.8154765967551237
Energy: 0.9067757820608279
Energy: 0.8067251264603511
Energy: 0.8516777196643917
Energy: 0.8703907989651215
Energy: 0.7609655659196182
Energy: 0.8110792177786778
Energy: 0.8490170594527243
Energy: 0.8870804586370546
Energy: 0.8156174681147105
Energy: 0.8813456261954619
Energy: 0.7836193031253732
Energy: 0.7832057086048745
Energy: 0.8626865323567079
Energy: 0.7847441984143043
Energy: 0.784099670453762
Energy: 0.8801304795804727
Energy: 0.8077181426802794
Energy: 0.8078184254931451
Energy: 0.8456402859152743
Energy: 0.8078529038447354
Energy: 0.8195498458659951
Energy: 0.8077161841648948
Energy: 0.808070691824196
Energy: 0.8082342118700077
Energy: 0.8074115315193783
Energy: 0.7901051278706096
Energy: 0.8077203937507893
Energy: 0.7927316247734114
Energy: 0.7847452204759923
Energy: 0.7846682198909103
Energy: 0.7851117891805296
Energy: 0.8627899531455585
Energy: 0.7838592739965523
Energy: 0.7747848920195095
Energy: 0.818186068511067
Energy: 0.8178538900530348
Energy: 0.7799870335842883
Energy: 0.8468078898255977
Energy: 0.766397390263785
Energy: 0.7751080968732369
Energy: 0.8537571567402784
Energy: 0.8172754546541948
Energy: 0.8126690997705917
Energy: 0.8816808823436291
Energy: 0.7666246514687544
Energy: 0.7929232399930917
Energy: 0.8485969769124463
Energy: 0.7848922199710644
Energy: 0.7856579447271034
Energy: 0.8241116758384402
Energy: 0.7843013671660175
Energy: 0.7956525497059234
Energy: 0.8251665933647296
Energy: 0.8776675419621185
Energy: 0.7963275825502286
Energy: 0.9054751045830571
Energy: 0.9133208551176741
Energy: 0.7834543950293991
Energy: 0.8661241126101925
Energy: 0.8387971767045054
Energy: 0.7835166758212043
Energy: 0.886758797262198
Energy: 0.7848056908048802
Energy: 0.8373333803855926
Energy: 0.9051380559721326
Energy: 0.9237487670733001
Energy: 0.8376624485732094
Energy: 0.8727243002353527
Energy: 0.8524907023403154
Energy: 0.7626581605133967
Energy: 0.7643577471796533
Energy: 0.763294736505054
Energy: 0.7627857926543812
Energy: 0.847650538277261
Energy: 0.7631109785754238
Energy: 0.7630140804606084
Energy: 0.762997518298763
Energy: 0.7624802386681682
Energy: 0.7648096805079191
Energy: 0.8450474171923813
Energy: 0.7630027866110897
Energy: 0.7626959713348012
Energy: 0.7648269328179924
Energy: 0.7630486414612022
Energy: 0.7626922490129913
Energy: 0.7643818500996359
Energy: 0.7876113379450453
Energy: 0.879757111872651
Energy: 0.8704425154525245
Energy: 0.8095921347886854
Energy: 0.8420684168972669
Energy: 0.9089965037957102
Energy: 0.841002464446383
Energy: 0.8170882085720026
Energy: 0.8246586270655006
Energy: 0.8270958450973065
Energy: 0.817270888591623
Energy: 0.8212898470500105
Energy: 0.8291389357206409
Energy: 0.872371340625105
Energy: 0.7638496885790285
Energy: 0.7644793103076826
Energy: 0.874024310549483
Energy: 0.7635502986106953
Energy: 0.8416157437198887
Energy: 0.8630363661686741
Energy: 0.763430532619866
Energy: 0.8422494704935806
Energy: 0.8335194865750728
Energy: 0.8932430267519725
Energy: 0.8252862523276792
Energy: 0.7896669808526248
Energy: 0.8255792041729489
Energy: 0.8292712585632359
Energy: 0.7816104908172046
Energy: 0.8270796902613031
Energy: 0.8282460874883799
Energy: 0.7877006611703647
Energy: 0.8324049441726957
Energy: 0.8044944184644397
Energy: 0.8126758217398738
Energy: 0.8308817143474062
Energy: 0.8415465541902848
Energy: 0.8619872912881137
Energy: 0.8169664350770663
Energy: 0.8251633791186799
Energy: 0.8191486816557222
Energy: 0.8173685931639059
Energy: 0.8295248992087016
Energy: 0.9052036631302813
Energy: 0.8349909177864541
Energy: 0.8355387943810877
Energy: 0.9069398477331767
Energy: 0.8128470953326233
Energy: 0.7958178683658339
Energy: 0.8970424296598448
Energy: 0.7640859800773148
Energy: 0.8044421336714608
Energy: 0.8467968697925284
Energy: 0.7626334811817769
Energy: 0.787427535405791
Energy: 0.8946614476917538
Energy: 0.7625733384697716
Energy: 0.7627411297854771
Energy: 0.8409703866447124
Energy: 0.7655541725777
Energy: 0.7625994004783471
Energy: 0.8952485309984852
Energy: 0.765625111927713
Energy: 0.787245843721206
Energy: 0.8461289003570042
Energy: 0.7627487476179006
Energy: 0.763285454008434
Energy: 0.9100934182385843
Energy: 0.8416376490898011
Energy: 0.8592320663351783
Energy: 0.8725834330027769
Energy: 0.8295717493405397
Energy: 0.868289629994287
Energy: 0.9637753403394367
Energy: 0.7840084083441107
Energy: 0.784392719559345
Energy: 0.8496230937681004
Energy: 0.7833889196879481
Energy: 0.8372348526997494
Energy: 0.76478131524066
Energy: 0.7925598561376705
Energy: 0.810281396725817
Energy: 0.7635156250372748
Energy: 0.7966343100535555
Energy: 0.8302081938559636

minimum gb energy = 0.7609655659196182 eV
minimum distance =  2.5948182695244 Angstroms
sigma value = 57


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

Energy: 1.1972739592358828
Energy: 0.9704085604788616
Energy: 0.9682515182063551
Energy: 0.9661299182497366
Energy: 1.2611178354474823
Energy: 0.9671703941277153
Energy: 0.6937859435805394
Energy: 0.7224919369371722
Energy: 0.7201917426134959
Energy: 0.7192987443702438
Energy: 0.718939859614171
Energy: 0.7208731469353628
Energy: 0.8442636794980416
Energy: 0.7405276163978667
Energy: 0.8242477527988579
Energy: 0.8455761352248757
Energy: 0.7416120347021129
Energy: 0.7219564696797478
Energy: 0.7451941297336612
Energy: 0.7201685259183549
Energy: 0.7181836316712422
Energy: 0.7472265328040039
Energy: 0.9775462425789467
Energy: 0.7179060950798586
Energy: 0.7702845930689102
Energy: 0.7223719841027202
Energy: 0.7202310950218139
Energy: 0.7740377942568393
Energy: 0.7191606110999692
Energy: 0.7184412932005999
Energy: 0.7461109547168027
Energy: 0.841736158949279
Energy: 0.8417425602775086
Energy: 0.7185426657904965
Energy: 0.8437042276357958
Energy: 0.8335405866556753
Energy: 0.8434976080391781
Energy: 0.7073354074298792
Energy: 0.7075155732068348
Energy: 0.8449292385804311
Energy: 0.7942012457109598
Energy: 0.8417229509397968
Energy: 0.8593010987024284
Energy: 0.7222577522048588
Energy: 0.7188058398251035
Energy: 0.7497751553142632
Energy: 0.7755830740203037
Energy: 0.7183378570085119
Energy: 0.6947892711014677
Energy: 0.838490259982513
Energy: 0.6957580151709941
Energy: 0.6941729035735378
Energy: 0.8327201214285878
Energy: 0.6951307246202922
Energy: 0.6944721518256427
Energy: 0.8409061465297824
Energy: 0.6973185694915127
Energy: 0.6975783436095666
Energy: 0.842017399725264
Energy: 0.6961661721652769
Energy: 0.858713368806485
Energy: 0.7220426325143224
Energy: 0.7187712650672999
Energy: 0.7500579246491864
Energy: 0.7460204767179942
Energy: 0.7181173600672602
Energy: 1.1198837842134672
Energy: 0.73993199060198
Energy: 0.825393080776819
Energy: 1.122933522625271
Energy: 0.8899033715867956
Energy: 0.831946799693816
Energy: 0.7471614068870154
Energy: 0.7223175587127664
Energy: 0.7201537029125977
Energy: 0.7476704656593405
Energy: 0.7193834459797694
Energy: 0.7445581651640979
Energy: 0.7461023107545705
Energy: 0.8457115563600575
Energy: 0.8410011281752054
Energy: 0.7199606880569284
Energy: 0.8446157651032926
Energy: 0.8329065205897918
Energy: 0.7746384686914546
Energy: 0.7838347325682815
Energy: 0.7185873872905797
Energy: 0.7759794710660215
Energy: 0.7815068047056772
Energy: 0.7176691639596011
Energy: 0.8414184863496477
Energy: 0.6935985166438907
Energy: 0.6950893339094881
Energy: 0.8428537638684264
Energy: 0.7817002602861765
Energy: 0.7214556324557349
Energy: 0.6938411309981755
Energy: 0.7240996934978271
Energy: 0.7201373849975372
Energy: 0.6935217652524129
Energy: 0.7514489837751056
Energy: 0.719367806561355

minimum gb energy = 0.6935217652524129 eV
minimum distance =  2.60459135784795 Angstroms
sigma value = 9


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

Energy: 1.301027938393621
Energy: 0.9981409084549477
Energy: 0.9509417541428898
Energy: 0.9787195177213601
Energy: 0.9863758211804231
Energy: 0.9523802044450326
Energy: 0.9645033135123123
Energy: 0.8435251566136
Energy: 0.8281429154094768
Energy: 0.8266249130212515
Energy: 0.8182780265931154
Energy: 0.8327407396137692
Energy: 0.8575192412437352
Energy: 0.8256421449267307
Energy: 0.8382842268810923
Energy: 0.857457120446021
Energy: 0.823397514635828
Energy: 0.8864770510951707
Energy: 0.8192469855227583
Energy: 0.8258932239204471
Energy: 0.8560212440016588
Energy: 0.8086474301727805
Energy: 0.8250310695178563
Energy: 0.8281257895478455
Energy: 0.8974179788196293
Energy: 0.8148688694779032
Energy: 0.8083669843094392
Energy: 0.7946176263601463
Energy: 0.832934405408712
Energy: 0.7940969637264453
Energy: 0.8509567684561905
Energy: 0.8448209979957294
Energy: 0.842241198436372
Energy: 0.8526268067659292
Energy: 0.8354986524744508
Energy: 0.8416161161583045
Energy: 0.853301685547969
Energy: 0.8424418257427877
Energy: 0.8878507615187108
Energy: 0.8535974825944662
Energy: 0.8520561796997002
Energy: 0.855692294002496
Energy: 0.8806910363383676
Energy: 0.8360981403468644
Energy: 0.8450472529756081
Energy: 0.810536832414357
Energy: 0.8377625579894762
Energy: 0.843408985687753
Energy: 0.8284236303344639
Energy: 0.8497106985386376
Energy: 0.8135660251613074
Energy: 0.8319759545459632
Energy: 0.8471315013260574
Energy: 0.8637954797608728
Energy: 0.8281186604641645
Energy: 0.8118791453491851
Energy: 0.8149568661606034
Energy: 0.8236522599695643
Energy: 0.8080717834122536
Energy: 0.8051674596532225
Energy: 0.8305137643443768
Energy: 0.8324679267813825
Energy: 0.7948779526479419
Energy: 0.822223292019114
Energy: 0.8465774665477207
Energy: 0.795211031935889
Energy: 0.8312275592727045
Energy: 0.8315546940494059
Energy: 0.8360818706101069
Energy: 0.8191290040347488
Energy: 0.8279069684239644
Energy: 0.8465976135803193
Energy: 1.1001479419481919
Energy: 0.815178168949703
Energy: 0.8273738063311753
Energy: 0.8372425329715922
Energy: 0.8138249510288058
Energy: 0.8596089534734449
Energy: 0.8448533451985814
Energy: 0.7967937530592908
Energy: 0.828264789698949
Energy: 0.808173619251798
Energy: 0.8115384717291019
Energy: 0.8287259372590516
Energy: 0.8729290718084062
Energy: 0.8035956636553158
Energy: 0.8831996356663505
Energy: 0.8744274676748127
Energy: 0.8414113131407411
Energy: 0.8602938634758107
Energy: 0.8615312603423882
Energy: 0.8863780237383495
Energy: 0.910763837332414
Energy: 0.8628545717600181
Energy: 0.8873715378459313
Energy: 0.9095499752028107
Energy: 0.8272170788038065
Energy: 0.8266096250321194
Energy: 0.8556805960000357
Energy: 0.8188724509675824
Energy: 0.7957212060709222
Energy: 0.830350137828636
Energy: 1.0005125914811364
Energy: 0.8225494597274055
Energy: 0.8090168465156734
Energy: 0.7940108547030218
Energy: 0.8214884429396101
Energy: 0.8368565915100893
Energy: 0.8177017183666399
Energy: 0.8271762595952447
Energy: 0.8280462707939054
Energy: 0.8180961854664486
Energy: 0.8076268772820501
Energy: 0.8316338774509745
Energy: 0.8183716088489178
Energy: 0.8268387988784025
Energy: 0.8293583221026501
Energy: 0.8192169448706396
Energy: 0.8274736684470493
Energy: 0.8317937347194106
Energy: 0.8210878573067056
Energy: 0.8265325061938495
Energy: 0.8446455738342896
Energy: 0.8377012896866373
Energy: 0.8248717120442287
Energy: 0.8481993856313659

minimum gb energy = 0.7940108547030218 eV
minimum distance =  2.5823900423787 Angstroms
sigma value = 27


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

Energy: 1.0799210541122606
Energy: 0.9445182077309944
Energy: 0.9378409212150483
Energy: 0.9386741471440913
Energy: 1.1394431684185307
Energy: 0.9384742241101208
Energy: 0.8066512477194756
Energy: 0.8488999416062101
Energy: 0.8552512891126473
Energy: 0.843839454723847
Energy: 0.8461575616825284
Energy: 0.8376847705036082
Energy: 0.8612163001161003
Energy: 0.7926292987141305
Energy: 0.8609699425700322
Energy: 0.8197223186431228
Energy: 0.8712244434665474
Energy: 0.9018654740136266
Energy: 0.8131811953726884
Energy: 0.8099969396111054
Energy: 0.8108696198484201
Energy: 0.8124853677447458
Energy: 0.8115906646546709
Energy: 0.8331131400852644
Energy: 0.8801400829960461
Energy: 0.8164760513348007
Energy: 0.8152987551185672
Energy: 0.7988037824293496
Energy: 0.8157557176039647
Energy: 0.8025711003314842
Energy: 0.8759545769926036
Energy: 0.8078399384491664
Energy: 0.798158674898319
Energy: 0.8446908622822686
Energy: 0.8153972053134307
Energy: 0.7987932364748117
Energy: 0.8685330886543822
Energy: 0.8695141371988117
Energy: 0.8706491385991943
Energy: 0.8705715208536299
Energy: 0.8702207579291757
Energy: 0.8704741944677373
Energy: 0.8991708423561207
Energy: 0.8641886778818111
Energy: 0.8422067346097153
Energy: 0.8986989406191568
Energy: 0.8049454130191367
Energy: 0.8425464650554662
Energy: 0.8435919491915647
Energy: 0.8336702598400204
Energy: 0.8440288122238695
Energy: 0.8132628398161117
Energy: 0.8315073430601458
Energy: 0.8253666676234546
Energy: 0.8314496148087867
Energy: 0.8190922549379659
Energy: 0.814916533037577
Energy: 0.8263116804486951
Energy: 0.8343442908818706
Energy: 0.8278586481783997
Energy: 0.8218681559519615
Energy: 0.8593466813991286
Energy: 0.8598059097675751
Energy: 0.8057573049443433
Energy: 0.7986302759751908
Energy: 0.8423125654226784
Energy: 0.8393563693329246
Energy: 0.8134130028339787
Energy: 0.813062682027655
Energy: 0.8407463129863593
Energy: 0.8397652087645011
Energy: 0.8439087874121236
Energy: 1.0084413785855568
Energy: 0.8680421355332382
Energy: 0.8682368088337011
Energy: 0.8697890932283474
Energy: 0.8748853917696394
Energy: 0.8683411402440129
Energy: 0.9178094339939874
Energy: 0.8695841668838977
Energy: 0.8689491967028623
Energy: 0.8211978924091742
Energy: 0.8678456331195757
Energy: 0.8811947337586709
Energy: 0.8916422794010378
Energy: 0.8426948819125031
Energy: 0.8452832914495972
Energy: 0.8914631479596775
Energy: 0.8208185833676561
Energy: 0.8238247644884744
Energy: 0.8775892993142725
Energy: 0.8299688207511277
Energy: 0.8305730855067195
Energy: 0.8219111300092496
Energy: 0.8106432327385668
Energy: 0.8324156724684149
Energy: 0.8359636155260626
Energy: 0.8236071256311401
Energy: 0.8242643792486183
Energy: 0.8288144463876556
Energy: 0.828394243709321
Energy: 0.8226316344040383
Energy: 0.8597030058708278
Energy: 0.8186187426468226
Energy: 0.7968429616930061
Energy: 0.7940861310743987
Energy: 0.8185543213627349
Energy: 0.7972229349210834
Energy: 0.8692121530716937
Energy: 0.87814270053808
Energy: 0.875355043411058
Energy: 0.8688228358111124
Energy: 0.8821293065222224
Energy: 0.873065119568194
Energy: 0.885112357465359
Energy: 0.8802867819650924
Energy: 0.8775498643410035
Energy: 0.885892913376916
Energy: 0.8803242673868988
Energy: 0.8830465188433827
Energy: 0.9682687606151005
Energy: 0.8184349344775143
Energy: 0.8003061004206294
Energy: 0.8437307794016573
Energy: 0.8199914088603883
Energy: 0.796159962653168
Energy: 0.8823942682060149
Energy: 0.8537455373932387
Energy: 0.8506664985327609
Energy: 0.8618168085174174
Energy: 0.8555235566176629
Energy: 0.8094404493577612
Energy: 0.840710060018269
Energy: 0.830528148372514
Energy: 0.8304009885515115
Energy: 0.82809562110533
Energy: 0.8380392482411111
Energy: 0.8431966848284576
Energy: 0.8032247061556995
Energy: 0.8157012216660121
Energy: 0.8126694382422258
Energy: 0.8046343315090201
Energy: 0.8162788596014933
Energy: 0.8324651398308185
Energy: 0.8066822227153964
Energy: 1.0028469907721358
Energy: 1.0080982403477547
Energy: 0.8040855271919604
Energy: 0.9992131609236051
Energy: 0.7918479239879933

minimum gb energy = 0.7918479239879933 eV
minimum distance =  2.55364888126361 Angstroms
sigma value = 19


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

Energy: 1.2220013283820284
Energy: 0.9287230700448982
Energy: 0.9534037963268458
Energy: 0.918336970053335
Energy: 0.8555605525411762
Energy: 0.9564032331243618
Energy: 0.8170363843433713
Energy: 0.8206814454904059
Energy: 0.8219522565763209
Energy: 0.8269630135479019
Energy: 0.8195040406633085
Energy: 0.8233135779972824
Energy: 0.8356667565679093
Energy: 0.8205486889769034
Energy: 0.8195955876925268
Energy: 0.8320102578513336
Energy: 0.8203286788839118
Energy: 0.8331788939611431
Energy: 0.8395042143564921
Energy: 0.8210226367708922
Energy: 0.8193013163600025
Energy: 0.8241150659221931
Energy: 0.824793835040655
Energy: 0.8236016639170309
Energy: 0.8868213315682372
Energy: 0.8327773517127433
Energy: 0.8348166747183153
Energy: 0.8374240265164506
Energy: 0.8309817208788965
Energy: 0.8352866584212497
Energy: 0.8396001123098453
Energy: 0.8218814706025793
Energy: 0.8896649260606246
Energy: 0.824767250428836
Energy: 0.8266404953477541
Energy: 0.8790432398121487
Energy: 0.8795515953740441
Energy: 0.8894421546457619
Energy: 0.8890741372638549
Energy: 0.839946959141596
Energy: 0.8901739568848723
Energy: 0.8987907773384345
Energy: 0.8874421116833955
Energy: 0.8261501318072685
Energy: 0.8279914856383739
Energy: 0.8885777756031026
Energy: 0.8217587023722335
Energy: 0.8897649311608079
Energy: 0.8713441530411716
Energy: 0.8291198383293708
Energy: 0.8340269721272254
Energy: 0.8268660136362447
Energy: 0.8312325564154797
Energy: 0.8308708356670603
Energy: 0.8719846318302177
Energy: 0.8430429465182645
Energy: 0.8307922789535976
Energy: 0.8286395249519692
Energy: 0.8305885486117095
Energy: 0.8312146679012723
Energy: 0.8800377946829657
Energy: 0.810455171512797
Energy: 0.809736692344517
Energy: 0.8811478611917121
Energy: 0.8109353233344954
Energy: 0.8145026739737941
Energy: 0.8155191339947073
Energy: 0.8774919819014113
Energy: 0.7964328101899838
Energy: 0.8163843694617949
Energy: 0.8329190533886983
Energy: 0.7943371099961551
Energy: 0.8800505357113251
Energy: 0.8823576397213417
Energy: 0.9053603375843187
Energy: 0.7933136813214435
Energy: 0.8633713067359093
Energy: 0.9025538244525952
Energy: 0.8679613565699777
Energy: 0.8306459215368278
Energy: 0.8339305912549858
Energy: 0.8358988018184561
Energy: 0.8292496649324492
Energy: 0.831715264297416
Energy: 0.8147436968512506
Energy: 0.8007357764217282
Energy: 0.8006767662510346
Energy: 0.8157072410482524
Energy: 0.8006161491593127
Energy: 0.794835360929353
Energy: 0.8154072026445565
Energy: 0.7956830791966465
Energy: 0.7965617348198306
Energy: 0.8168937216877339
Energy: 0.803958420045279
Energy: 0.8025459004059491
Energy: 1.0646435330849042
Energy: 0.8356777961357852
Energy: 0.8472330068007117
Energy: 0.7963758519350297
Energy: 0.8340637091004508
Energy: 0.8384066804817148
Energy: 0.8524670916025266
Energy: 0.8076214657824305
Energy: 0.8079769035702019
Energy: 0.8207335253425361
Energy: 0.816523550508033
Energy: 0.8003198651647885
Energy: 0.8452465665649266
Energy: 0.8214596049884784
Energy: 0.8118031732070777
Energy: 0.8177095693942035
Energy: 0.826132893255229
Energy: 0.813374947540145
Energy: 0.8349651544325629
Energy: 0.8210889548979552
Energy: 0.811825537612328
Energy: 0.8361907520625382
Energy: 0.8199503137554611
Energy: 0.8137507808917285
Energy: 0.8513819141801967
Energy: 0.8033846497707932
Energy: 0.8003958334641533
Energy: 0.7948786927415084
Energy: 0.8170809339120584
Energy: 0.7998492018470743
Energy: 0.8658190085220668
Energy: 0.7941002925957928
Energy: 0.794336285883186
Energy: 0.852218973170405
Energy: 0.8129341821993651
Energy: 0.7939566873771469
Energy: 0.8603635093115976
Energy: 0.8358665256136566
Energy: 0.8356386535206305
Energy: 0.8613602489591484
Energy: 0.8323413248622753
Energy: 0.8298815065880749
Energy: 0.8365566380257531
Energy: 0.7921075810694805
Energy: 0.8079354214862811
Energy: 0.836069254735983
Energy: 0.8047855271514488
Energy: 0.8176666842323009
Energy: 0.8800368357680549
Energy: 0.8124216609301909
Energy: 0.794855237923078
Energy: 0.8670495388868523
Energy: 0.8166471420342943
Energy: 0.7942802594321671
Energy: 0.8795003549377488
Energy: 0.8264521914766019
Energy: 0.8231689004842011
Energy: 0.8260580159765814
Energy: 0.8202611117437569
Energy: 0.8198903539676615
Energy: 0.8349033369491797
Energy: 0.8285600266873873
Energy: 0.8258754471415882
Energy: 0.830353398451412
Energy: 0.8232844391585304
Energy: 0.8314051752502066
Energy: 0.8338164507981558
Energy: 0.8274003776767256
Energy: 0.8319848570408651
Energy: 0.8311234160028056
Energy: 0.8269074681571841
Energy: 0.823432241904604
Energy: 0.849728264965103
Energy: 0.8898276019105817
Energy: 0.8914993692503164
Energy: 0.8612269976475908
Energy: 0.8873230996060348
Energy: 0.8578408912313207

minimum gb energy = 0.7921075810694805 eV
minimum distance =  2.5787415924484 Angstroms
sigma value = 101


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

Energy: 1.1603577251889476
Energy: 0.8380959944447323
Energy: 0.8379863195901175
Energy: 0.9921610047677016
Energy: 0.8334506513098573
Energy: 0.9889674275233451
Energy: 0.8297518636343097
Energy: 0.82801202745038
Energy: 0.8182857976128459
Energy: 0.8748564203183828
Energy: 0.8160836929206728
Energy: 0.8202759322613076
Energy: 0.8383393465581428
Energy: 0.834642707813538
Energy: 0.8298952633523005
Energy: 0.8300870465839442
Energy: 0.838065629047107
Energy: 0.8326002368532964
Energy: 0.8422673239752139
Energy: 0.8191725390799789
Energy: 0.8328134217740978
Energy: 0.8160889714038974
Energy: 0.8236286454889369
Energy: 0.8165225524837281
Energy: 0.8522526930314477
Energy: 0.8294581263538213
Energy: 0.8313952634259784
Energy: 0.8527814393116498
Energy: 0.8288840500574196
Energy: 0.8446909386446257
Energy: 0.8511738519863206
Energy: 0.8214853988786899
Energy: 0.8175931405252365
Energy: 0.8514609361850021
Energy: 0.8298063026657747
Energy: 0.8640430153821543
Energy: 0.8722713484350022
Energy: 0.815263117156493
Energy: 0.863269808313964
Energy: 0.8629559049597024
Energy: 0.8300448830817427
Energy: 0.8717231762895445
Energy: 0.8529785694519458
Energy: 0.865351722747173
Energy: 0.8218818168028245
Energy: 0.8539152692283674
Energy: 0.8405574240616038
Energy: 0.8482310816228086
Energy: 0.8357457205845841
Energy: 0.8201824022569125
Energy: 0.8222041607888969
Energy: 0.8315142793014297
Energy: 0.829062422388052
Energy: 0.8353173052722487
Energy: 0.833064683639023
Energy: 0.8304163153684652
Energy: 0.831160281509762
Energy: 0.8273415146495298
Energy: 0.8299998426540316
Energy: 0.8358303973462264
Energy: 0.9164788632878047
Energy: 0.8048454699058464
Energy: 0.8074078637580336
Energy: 0.9176263936935688
Energy: 0.8054966676176194
Energy: 0.8991049040714837
Energy: 0.8372142255859539
Energy: 0.8457951502300959
Energy: 0.8342022624494363
Energy: 0.8316321226303803
Energy: 0.8437581601594102
Energy: 0.8312909708999705
Energy: 1.011047113649577
Energy: 0.8307008480577228
Energy: 0.8195736658123544
Energy: 0.8331152335804773
Energy: 0.8293027406125956
Energy: 0.8196506628215455
Energy: 0.8406417084586395
Energy: 0.8192280425805717
Energy: 0.8210742234919893
Energy: 0.8263023484951644
Energy: 0.8222081886983394
Energy: 0.8315384572509646
Energy: 0.8365386185677075
Energy: 0.836039429478948
Energy: 0.8367743354827593
Energy: 0.8301940486073859
Energy: 0.8342079997619107
Energy: 0.8346198998613783
Energy: 0.836526389554063
Energy: 0.8443887672293398
Energy: 0.8194071039844658
Energy: 0.828470621903135
Energy: 0.8398522630898871
Energy: 0.8169012932533125
Energy: 1.16327157782355
Energy: 0.8570463529733224
Energy: 0.8397942652579071
Energy: 0.8023696754525801
Energy: 0.9200656797840899
Energy: 0.9010789909448214
Energy: 0.9055182511244866
Energy: 0.8288249641808855
Energy: 0.829824787705695
Energy: 0.8412448283763148
Energy: 0.8415874843341989
Energy: 0.8394459512625785
Energy: 0.8362281882275696
Energy: 0.8395095058784745
Energy: 0.8195999531106064
Energy: 0.8293531061434624
Energy: 0.8371560967963567
Energy: 0.8298122949985989
Energy: 0.8422803244264464
Energy: 0.8349033421790085
Energy: 0.8204863121737298
Energy: 0.8425207818026551
Energy: 0.8338731187116891
Energy: 0.8194166167727743
Energy: 0.8548006139691251
Energy: 0.8337796755813377
Energy: 0.8227686684656558
Energy: 0.8482889312357375
Energy: 0.9227223425713018
Energy: 0.8410347213205079
Energy: 0.8727460746095398
Energy: 0.8220299488917419
Energy: 0.8187695729211485
Energy: 0.8573494895227723
Energy: 0.828423038185982
Energy: 0.8201279327068564
Energy: 0.8538314770030294
Energy: 0.833947462049462
Energy: 0.8198666118744908
Energy: 0.8512732289358491
Energy: 0.8338382057546884
Energy: 0.8475439126229288
Energy: 0.8516760728390665
Energy: 0.8346069056486043
Energy: 0.8296628731275085
Energy: 0.8528576061195032
Energy: 0.8323074995525903
Energy: 0.8448389078256162
Energy: 0.8400185126554004
Energy: 0.819567993276765
Energy: 0.8292087255038533
Energy: 0.8368226158528919
Energy: 0.8288583291180476
Energy: 0.8176713833020054
Energy: 0.8360349138064291
Energy: 0.8258426527747955
Energy: 0.8296240598398266
Energy: 0.8325902971030925
Energy: 0.8295928127671489
Energy: 0.8325830945864527
Energy: 0.8334182748423671
Energy: 0.7879964639029889
Energy: 0.7986004298311686
Energy: 0.8387922799650097
Energy: 0.8228124413773967
Energy: 0.8174685659000959
Energy: 0.8408481810383797
Energy: 0.8226285824407241
Energy: 0.7874466836479387
Energy: 0.8407290840679561
Energy: 0.8320743506002845
Energy: 0.8345751272530243
Energy: 0.8425882995570046
Energy: 0.8442297819127901
Energy: 0.8323137469477367
Energy: 0.8294031512960783
Energy: 0.8527711361933352
Energy: 0.848631472168177
Energy: 0.8446914537606388
Energy: 0.8175894067109902
Energy: 0.8176351153041719
Energy: 0.8349853302639303
Energy: 0.8202982955308336
Energy: 0.8176717804782585
Energy: 0.8378167505666567
Energy: 0.8436973988252422
Energy: 0.8351914833941299
Energy: 0.8292030998721475
Energy: 0.8323401759957336
Energy: 0.8312881231434227
Energy: 0.836887285749927
Energy: 0.8359140792231082
Energy: 0.8199310227412923
Energy: 0.8291371480109269
Energy: 0.8334481568367206
Energy: 0.8194190119646705
Energy: 0.8280977513767132
Energy: 0.8480792161135995
Energy: 0.8393307178464904
Energy: 0.8099855770209431
Energy: 0.8326386783388601
Energy: 0.8547033418417743

minimum gb energy = 0.7874466836479387 eV
minimum distance =  2.58780860089486 Angstroms
sigma value = 33


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

Energy: 0.021689197619399154
Energy: 0.02547483996444186
Energy: 0.022626336895961954
Energy: 0.02390060186637112
Energy: 0.5849609757162515
Energy: 0.022338621507247063
Energy: 0.022914237456393236
Energy: 0.12504300964949142
Energy: 0.12470313974902325
Energy: 0.12790685391793385
Energy: 0.12722662889431133
Energy: 0.12431264856632253
Energy: 0.8888428217742754
Energy: 0.58227404085474
Energy: 0.5794036454300946
Energy: 0.5827460453805957
Energy: 0.5843648689455938
Energy: 0.5789188265762333
Energy: 0.42949310913065536
Energy: 0.12504300964949142
Energy: 0.12470313974902325
Energy: 0.12790685391793385
Energy: 0.12722662889431133
Energy: 0.12431264856632253

minimum gb energy = 0.021689197619399154 eV
minimum distance =  2.74024880689658 Angstroms
sigma value = 1