Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001_Cu__MO_380822813353_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6148132324218762
cohesive_energy=3.540081929549165
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.65397500457722e-19, 2.32865158515462e-19, 2.8488302729153996e-19, 3.29726349100566e-19, 3.6699297760740595e-19, 3.9750803377857e-19, 4.22844855068646e-19, 4.442002674232319e-19, 4.624234244583479e-19, 4.78160003357496e-19, 4.919275071734579e-19, 5.041328887712699e-19, 5.15058131238516e-19, 5.248618500619619e-19, 5.33590508363994e-19, 5.412264822016379e-19, 5.477569541618219e-19, 5.531979460108859e-19, 5.576231578739939e-19, 5.61139935585624e-19, 5.638219792709399e-19, 5.65691719402818e-19, 5.66784403867206e-19, 5.6713848490332e-19, 5.66757166864428e-19, 5.655266952095159e-19, 5.63291658805086e-19, 5.5986300080832595e-19, 5.550740948493e-19, 5.487775406776799e-19, 5.40713785678758e-19, 5.3055278146592995e-19, 5.17850725111578e-19, 5.0203403738073e-19, 4.82373727904916e-19, 4.579597603560239e-19, 4.2768663285659396e-19, 3.9019249526772594e-19, 3.43756609884504e-19, 2.86123112006256e-19, 2.1420460725926398e-19, 1.2368851679779019e-19, 8.67416827470966e-21, -1.385881186233366e-19, -3.28439801263464e-19, -5.757117320718539e-19, -9.029579117429879e-19]
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: 2.2204e-16 eV

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

Energy: 0.015447714476890547
Energy: 0.01880738083143991
Energy: 0.10342428202384665
Energy: 0.10346204566398379
Energy: 0.01822169553082752
Energy: 0.01669262708530945
Energy: 0.10205087458096722
Energy: 0.10359711395147782
Energy: 0.10280834864471516
Energy: 0.017630031425340677
Energy: 0.01576920204251059
Energy: 0.10184984252981269
Energy: 0.10216586880069378
Energy: 0.10339378254536762
Energy: 0.10390446637462006
Energy: 0.10208256042810557
Energy: 0.101971297631322
Energy: 0.10139110330034881
Energy: 0.10335918429284731
Energy: 0.1037732940354847
Energy: 0.10348629208466667
Energy: 0.01793302563299748
Energy: 0.015830813295621752
Energy: 0.10227435913780698
Energy: 0.1030274800320803
Energy: 0.10387983821769964
Energy: 0.01746676849817198
Energy: 0.015814073931147237
Energy: 0.10199626173477386
Energy: 0.1042297523267824
Energy: 0.1037053271514132
Energy: 0.016600511274491116
Energy: 0.016378141680723605
Energy: 0.10152043510096313
Energy: 0.10210103993125684
Energy: 0.10438488247886571
Energy: 0.01640609290853168
Energy: 0.015975598669013234
Energy: 0.10121893679063618
Energy: 0.10202658548022595
Energy: 0.10331632558053465
Energy: 0.1027179007534413
Energy: 0.103698945290462
Energy: 0.016624947517078423
Energy: 0.016757285444035083
Energy: 0.10264022500993533
Energy: 0.10306546375136028
Energy: 0.10389305404101132
Energy: 0.01738968535665751
Energy: 0.1011339709532215
Energy: 0.10145359547559858
Energy: 0.10200498694711117
Energy: 0.10317909774938296
Energy: 0.01640493205603568
Energy: 0.01867054699753031
Energy: 0.10139447208586677
Energy: 0.1013168127852329
Energy: 0.10324120193867525
Energy: 0.01628541408384019
Energy: 0.01968707196926698
Energy: 0.019810185021114524
Energy: 0.10302370455340197
Energy: 0.10326849910356764
Energy: 0.10248309628782036
Energy: 0.1042776111157965
Energy: 0.019468703456169283
Energy: 0.10334498801310886
Energy: 0.10304285748707563
Energy: 0.1032179212338118
Energy: 0.10446568663917041

minimum gb energy = 0.015447714476890547 eV
minimum distance =  2.52002894882376 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 0.8515518959630907
Energy: 0.8682459806415666
Energy: 0.8688583185302922
Energy: 0.8542384949802743
Energy: 0.8532432695829159
Energy: 0.856398383614435
Energy: 0.868965244989238
Energy: 0.8713780275650335
Energy: 0.852146844779845
Energy: 0.7094876528107731
Energy: 0.8571616906426874
Energy: 0.8729561633071119
Energy: 0.8733219773088937
Energy: 0.6564215348362797
Energy: 0.6559546318171253
Energy: 0.9542072318903894
Energy: 0.8679734138152839
Energy: 0.7837632116305888
Energy: 0.6571184929475876
Energy: 0.666064850932177
Energy: 0.9080590456776335
Energy: 0.7511532118584737
Energy: 0.6566501795050339
Energy: 0.6558150525502288
Energy: 0.6559490437455003
Energy: 0.7471018370904542
Energy: 0.7517630807275237
Energy: 0.6556624589485559
Energy: 0.6556987770771354
Energy: 0.6563673552135078
Energy: 0.8683439121741453
Energy: 0.8490825889889188
Energy: 0.6620379405801665
Energy: 0.6556664615250106
Energy: 0.6557542441392339
Energy: 0.8756278823388507
Energy: 0.7459358944064617
Energy: 0.6608299172004373
Energy: 0.6560028874094657
Energy: 0.7638145390717045
Energy: 0.8500903505079908
Energy: 0.9437139327964631
Energy: 0.6588638188337652
Energy: 0.6567683326502866
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Energy: 0.8511429774719678
Energy: 0.7802463409539223
Energy: 0.7630576554753274
Energy: 0.6614159067830281
Energy: 0.8584085836303801
Energy: 0.8529643497240228
Energy: 0.969645119160727
Energy: 0.8590045572894283
Energy: 0.6599785389155347
Energy: 0.8592021592426671
Energy: 0.8532742646034079
Energy: 0.7791204772858549
Energy: 0.6565559430161666
Energy: 0.7791725531769381
Energy: 0.8675575881051631
Energy: 0.8703441657612485
Energy: 0.7799014920941757
Energy: 0.662420847305222
Energy: 0.8746320169270738
Energy: 0.9023755805058988
Energy: 0.9037795606043262
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Energy: 0.6566371907761008
Energy: 0.8788703353801482
Energy: 0.8698659384811215
Energy: 0.8731175732178091
Energy: 0.8613970343120054
Energy: 0.7957211277209376
Energy: 0.8739121785077699
Energy: 0.8708756800946961
Energy: 0.8577176295289406
Energy: 0.8543870880140211
Energy: 0.8529047444941384
Energy: 0.8536954338521954
Energy: 0.9073635324675142
Energy: 0.7834796133309422
Energy: 0.6613591395636045
Energy: 0.7608284564558857
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Energy: 0.8719539762614698
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Energy: 0.8749838042321426
Energy: 0.8763642244965538
Energy: 0.7642520626755042
Energy: 0.6556466749005695
Energy: 0.6601163006345311
Energy: 0.8675602121687532
Energy: 0.868252475835913
Energy: 0.854425412653801
Energy: 0.8555277517894373
Energy: 0.8532981287610026
Energy: 0.8674231095833134
Energy: 0.8678365180341273
Energy: 0.8531907546971658
Energy: 0.8517775575376367
Energy: 0.854728250752737
Energy: 0.8693921811236224
Energy: 0.8544547366361208
Energy: 0.85431702037248
Energy: 0.6553016516850041
Energy: 0.9517849426284339
Energy: 0.8668713604859516
Energy: 0.871686651648874
Energy: 0.6574111224961907
Energy: 0.76599993803743
Energy: 0.8754470212759035
Energy: 0.8727695515204116
Energy: 0.8736534267374422
Energy: 0.6559138744152953
Energy: 0.6561209616541027
Energy: 0.7468735958608508
Energy: 0.7485039687081846
Energy: 0.6557833177983979
Energy: 0.656638204124081
Energy: 0.6612055767656557
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Energy: 0.7480740617521815
Energy: 0.7939433896069014
Energy: 0.6552835004823117
Energy: 0.6558066957009602
Energy: 0.7887606593846909
Energy: 0.7502687483595795
Energy: 0.7979913373262759
Energy: 0.7592138227676996
Energy: 0.6554800017792184
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Energy: 0.7463630774851204
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Energy: 0.7588509900748814
Energy: 0.8552274427993465
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Energy: 0.9655419440620882
Energy: 0.7618630013093076
Energy: 0.6665106778059593
Energy: 0.7642397358385385
Energy: 0.870021860245075
Energy: 0.7793826330722265
Energy: 0.6567575850668318
Energy: 0.6563267107005699
Energy: 0.8561938841061341
Energy: 0.8542565814078524
Energy: 0.7802440295150266
Energy: 0.6580467091898705
Energy: 0.7779392942039867
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Energy: 0.854658582694958
Energy: 0.9526001047576342
Energy: 0.8667406240647892
Energy: 0.7773176529143391
Energy: 0.9047784277568045
Energy: 0.8967120815337914
Energy: 0.877354053175528
Energy: 0.6581293802942708
Energy: 0.8803420287996876
Energy: 0.8693982616807361
Energy: 0.8669638279521114
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Energy: 0.6578461521827617
Energy: 0.8733867665142759
Energy: 0.8744361647449667
Energy: 0.8552015253419287
Energy: 0.6573315289795594
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Energy: 0.8533871176281054
Energy: 0.8696442118202856
Energy: 0.8542569103915353
Energy: 0.8195091883714718
Energy: 0.7950479822236372
Energy: 0.8753652324416117
Energy: 0.9064764229101727
Energy: 0.7824449538705365
Energy: 0.6580718945326618
Energy: 0.6550230900753624
Energy: 0.8544253605225153
Energy: 0.906006339067734
Energy: 0.7839072598593727
Energy: 0.7778876357599257
Energy: 0.6558853577539826
Energy: 0.872060920596295
Energy: 0.7927616181901169
Energy: 0.6569327618324013
Energy: 0.6599881450399602
Energy: 0.6563546169524662
Energy: 0.745611845092334
Energy: 0.7789397600071891
Energy: 0.6557526605781
Energy: 0.6618910781692473
Energy: 0.7607026908602983
Energy: 0.7450680992456514
Energy: 0.6613387718846805
Energy: 0.6560185846767287
Energy: 0.6587541752473831
Energy: 0.6550967416963059
Energy: 0.7454529095906539
Energy: 0.783911871919979
Energy: 0.6585262919048704
Energy: 0.6589129605752319
Energy: 0.7807223928479263
Energy: 0.7450322728784319
Energy: 0.6600466232657703
Energy: 0.6619379401646058
Energy: 0.6615269699371651
Energy: 0.854063032186211
Energy: 0.8644888367763008
Energy: 0.7850992862945442
Energy: 0.6639803861031235
Energy: 0.6579424020568055
Energy: 0.867561989515755
Energy: 0.8720281750027666
Energy: 0.8552242805877883
Energy: 0.8645521895475284
Energy: 0.7794962939744678
Energy: 0.8552592112146357
Energy: 0.8569971950777211
Energy: 0.6597722654535356
Energy: 0.6568811435090804
Energy: 0.7802194067264411
Energy: 0.8546943243255228
Energy: 0.8571022620489804
Energy: 0.6556698994138903
Energy: 0.6587747559517112
Energy: 0.8670998015402074
Energy: 0.86734949520591
Energy: 0.854435711729763
Energy: 0.6561954849696036
Energy: 0.6586956220176164
Energy: 0.8686688382274592
Energy: 0.8679841424352174
Energy: 0.7637420063649638
Energy: 0.8539438824409111
Energy: 0.8562059072710245
Energy: 0.8701418538890612
Energy: 0.8726483564079983
Energy: 0.8537788445155777
Energy: 0.8538041136631916
Energy: 0.8547027239052796
Energy: 0.8673244667925885
Energy: 0.8688501709973199
Energy: 0.86425384346304

minimum gb energy = 0.6548997220690729 eV
minimum distance =  2.25167721132239 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.5535287387975976
Energy: 0.9007341275172995
Energy: 0.8264795739237297
Energy: 0.9012365149109653
Energy: 0.8881830649327549
Energy: 0.8842305011587958
Energy: 0.9157208239619742
Energy: 0.8415354576926827
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Energy: 0.844573265238731
Energy: 0.9008637644055216
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Energy: 0.775646133348347
Energy: 0.8523668591605468
Energy: 0.8980083479736263
Energy: 0.8305896108886405
Energy: 0.8596781703424677
Energy: 0.7899826625713455
Energy: 0.9002989845252817
Energy: 0.9481966905529804
Energy: 0.8443283448570752
Energy: 0.8046591703350638
Energy: 0.8381180361149763
Energy: 0.8258364723298847
Energy: 0.9295436061205937
Energy: 0.9238957713975324
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Energy: 0.8351324792378612
Energy: 0.8175723267974234
Energy: 0.8491844209957289
Energy: 0.8094770425209563
Energy: 0.8264567000262121
Energy: 0.8410146879234405
Energy: 0.8562623155167931
Energy: 0.8073450045027436
Energy: 0.8061993474181047
Energy: 0.8674548631300466
Energy: 0.8415567594771722
Energy: 0.9026194592416188
Energy: 0.7977293816588741
Energy: 0.8380283560177196
Energy: 0.9629913349678082
Energy: 0.8169619286446014
Energy: 0.9110335284728889
Energy: 0.7667780055423535
Energy: 0.9115267813269641
Energy: 0.9103029403223837
Energy: 0.8271676148979451
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Energy: 0.8865927450920572
Energy: 0.9021254186552391
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Energy: 0.9582457365470354
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Energy: 0.8075096086873901
Energy: 0.9325141898523517
Energy: 0.8647851166180772
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Energy: 0.8804824122270861
Energy: 0.7960414835970752
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Energy: 0.9325936855979329
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Energy: 0.8767529297156643
Energy: 0.8497059991236525
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Energy: 0.8517350673462263
Energy: 0.7922682612054472
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Energy: 0.8941724227558705
Energy: 0.7714014957325058
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Energy: 0.865190765807614
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Energy: 0.8218006329804781
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Energy: 0.9523711775286787
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minimum gb energy = 0.7490003276689923 eV
minimum distance =  2.24265208520463 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.8315452246359065
Energy: 0.8185938966731204
Energy: 0.8759564875589276
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Energy: 0.8882668984907902
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Energy: 0.8641045498613898
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Energy: 0.8274085547865323
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Energy: 0.8260027576213667
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Energy: 0.8143214635357627
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Energy: 0.8161222923650884
Energy: 0.8138312526243504
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Energy: 0.8319468698713443
Energy: 0.8292616153947221
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Energy: 0.8329082172231151
Energy: 0.8260539268335619
Energy: 0.8475522671436894
Energy: 0.853240988406352
Energy: 0.8418855157605418
Energy: 0.8772243169416023
Energy: 0.8786744826740414
Energy: 0.811137239983683
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Energy: 0.8289095944466939
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Energy: 0.8736202723618905
Energy: 0.852818476201424
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Energy: 0.7943361838658792
Energy: 0.8490212557401957
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Energy: 0.8409121034720236
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Energy: 0.8577125418471124
Energy: 0.8436767100474479
Energy: 0.8643789769931418
Energy: 0.8639052658862698
Energy: 0.8611252277608641
Energy: 0.8554473094606374
Energy: 0.8534201612811838
Energy: 0.8646728757459042
Energy: 0.8797070643510333
Energy: 0.8501260334634826
Energy: 0.8626101892991554
Energy: 0.8540681355402947
Energy: 0.8753319759785291
Energy: 0.8648651737734053
Energy: 0.8484401180862835
Energy: 0.8443204083762396
Energy: 0.8550455395963535
Energy: 0.8772238112515576
Energy: 0.8474979198266093
Energy: 0.8541184073470015
Energy: 0.8598177244042906
Energy: 0.8485907303432577
Energy: 0.8472072437364279
Energy: 0.8463726794334976
Energy: 0.8515940863317115
Energy: 0.851771429241427
Energy: 0.8701486421908129
Energy: 0.8813122095738001
Energy: 0.8760553868402094
Energy: 0.86563218475287
Energy: 0.8493559320200894
Energy: 0.8496615057390167
Energy: 0.8635049210350146
Energy: 0.8487165810269421
Energy: 0.85179812502137
Energy: 0.8478213596464506
Energy: 0.8478167464238957
Energy: 0.8481899538210481
Energy: 0.8646760266636224
Energy: 0.829579564779251
Energy: 0.8485973157020581
Energy: 0.8652059861370502
Energy: 0.8004342723250908
Energy: 0.8475113500144655
Energy: 0.8304339138099067
Energy: 0.8496300892859987
Energy: 0.8790420976876752
Energy: 0.8573861222202234
Energy: 0.8757112739253716
Energy: 0.8620724137930055
Energy: 0.8660403800757608
Energy: 0.8743405610083201
Energy: 0.8876018816424521
Energy: 0.8861317361489719
Energy: 0.8630777208485124
Energy: 0.8771214499295849
Energy: 0.8711697231074531
Energy: 0.8824726113293649
Energy: 0.84902618158185
Energy: 0.8465213174350944
Energy: 0.8081095698040143
Energy: 0.7991603675300706
Energy: 0.8666995082909776
Energy: 0.8359320288456679
Energy: 0.8612042595867976
Energy: 0.815287293443253
Energy: 0.8051944513990628
Energy: 0.8693999070956697
Energy: 0.8492848281623051
Energy: 0.8129333723554032
Energy: 0.8183839121444143
Energy: 0.8183668053369622
Energy: 0.8130495543972567
Energy: 0.813286937114832
Energy: 0.8126469790398783
Energy: 0.8138935918069807
Energy: 0.8130576586680575
Energy: 0.8577921279109898

minimum gb energy = 0.7874737802985154 eV
minimum distance =  2.23781717320571 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.0421929854579226
Energy: 0.7674030352999932
Energy: 0.7723693256250692
Energy: 0.8035606392463369
Energy: 0.767949498648434
Energy: 1.0386630201890346
Energy: 0.7716337073821641
Energy: 0.7718388003320175
Energy: 0.801834027455409
Energy: 0.7685401050789668
Energy: 0.7632877769193835
Energy: 0.7958554602880121
Energy: 0.8016940584251359
Energy: 0.7998997295390778
Energy: 0.8300634148691785
Energy: 0.7948392680819893
Energy: 0.795439431602341
Energy: 0.802992815310202
Energy: 0.800903948165257
Energy: 0.8272836179025147
Energy: 0.803049801425217
Energy: 0.8299722371478838
Energy: 0.7939589529248462
Energy: 0.7708100800235712
Energy: 0.8153116446323384
Energy: 0.8026149976897011
Energy: 0.8027050935022948
Energy: 0.8037169186920217
Energy: 0.7720600577444621
Energy: 0.8159035209121853
Energy: 0.7909734789763614
Energy: 0.805127649856235
Energy: 0.8070804428754419
Energy: 0.7709771097341643
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Energy: 0.8046042040757928
Energy: 0.7710030912865052
Energy: 0.8177898630774058
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Energy: 0.8073320671423678
Energy: 0.7968091866338338
Energy: 0.7940242376702085
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Energy: 0.7684198249423024
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Energy: 0.7948923171964165
Energy: 0.795059001497466
Energy: 0.8033987492733153
Energy: 0.8033771229001823
Energy: 0.7724647691774419
Energy: 0.7666741491734811
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Energy: 0.7667131011592836
Energy: 0.7744343349764647
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Energy: 0.8280512908641523
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Energy: 0.796943424591442
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Energy: 0.8114463348054729
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Energy: 0.7941500190484717
Energy: 0.7946199031789393
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Energy: 0.7706532112947754
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Energy: 0.7940632822149217
Energy: 0.7943276615107199
Energy: 0.7712056861177001
Energy: 0.771852612673638
Energy: 0.8006536182838253
Energy: 0.7723939245559837
Energy: 0.7946816050817553
Energy: 0.7954650884914878
Energy: 0.7719343983468009
Energy: 0.7729416907565579
Energy: 0.7727653610089038
Energy: 0.795075674685424
Energy: 0.8155659379264268
Energy: 0.8274152408519428
Energy: 0.8056827353066266
Energy: 0.8047512347385856
Energy: 0.8035155503038649
Energy: 0.795592212124882
Energy: 0.826630019479243
Energy: 0.8031225157962787
Energy: 0.8027731293895736
Energy: 0.8046377280281662
Energy: 0.7948752407492801
Energy: 0.8161734442691431
Energy: 0.771802461361699
Energy: 0.8050477842597142
Energy: 0.8029886858029772
Energy: 0.8154309835591801
Energy: 0.8025505100973978
Energy: 0.8051153166116588
Energy: 0.8044490285788036
Energy: 0.8021950951301369
Energy: 0.8177185927487084
Energy: 0.8038966172303806
Energy: 0.799401655282611
Energy: 0.805371288625692
Energy: 0.8048700851264632
Energy: 0.7640211816500386
Energy: 0.8036954906758251
Energy: 0.7960592059872905
Energy: 0.8047387217382069
Energy: 0.8039300318990236
Energy: 0.8088064385504694
Energy: 0.7969383102594465
Energy: 0.8065940745582978
Energy: 0.7735563599517803
Energy: 0.7953308806229561
Energy: 0.7706528913652727
Energy: 0.8081712336778847
Energy: 0.7996954058796093
Energy: 0.7744279977658596
Energy: 0.7960865616370488
Energy: 0.7703278792817263
Energy: 0.8308512171107064
Energy: 0.7997641081163814
Energy: 0.7733148593789374
Energy: 0.7648682109837813
Energy: 0.7950215042519372
Energy: 0.8313282513194538
Energy: 0.8012900389487791
Energy: 0.772485590147336
Energy: 0.7635740979341811
Energy: 0.7938260582226562
Energy: 0.7632521207832834
Energy: 0.8009049125117277
Energy: 0.8027017503209403
Energy: 0.7729224067645528
Energy: 0.795716401370715
Energy: 0.7645537456702514
Energy: 0.8008910904570631
Energy: 0.8028826796427158
Energy: 0.7724380819756081
Energy: 0.7950094434758714

minimum gb energy = 0.7615063272598032 eV
minimum distance =  2.26918068229921 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.7424398549473384
Energy: 0.7109864022640838
Energy: 0.7182845719500405
Energy: 0.704688163497604
Energy: 0.6995966889873845
Energy: 0.7106831082480202
Energy: 0.7125824292638099
Energy: 0.7193501414464883
Energy: 0.7210645214913856
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Energy: 0.76017149098389
Energy: 0.7393386971333965
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Energy: 0.7170802908909034
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Energy: 0.7202836303559317
Energy: 0.7387163906622223
Energy: 0.7216816364006252
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Energy: 0.7472565653181321
Energy: 0.7352841886180359
Energy: 0.7324733206985227
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Energy: 0.7212243710698577
Energy: 0.7502770518063476
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Energy: 0.7320755490635479
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Energy: 0.7131675086624926
Energy: 0.74240715365268
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Energy: 0.7325032386498961
Energy: 0.7419987378572105
Energy: 0.7491618357090577
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Energy: 0.7406375953270402
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Energy: 0.7515557265004424
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Energy: 0.7180107076829725
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Energy: 0.726578543294976
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Energy: 0.7417312331784434
Energy: 0.7286661944967298
Energy: 0.7293749328072159
Energy: 0.7554687261500078
Energy: 0.7387064438676911
Energy: 0.7312958605659924
Energy: 0.730104365628037
Energy: 0.7353238683079832
Energy: 0.748083696264194
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Energy: 0.7511765934882161
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Energy: 0.7327847270877212
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Energy: 0.7356182729902601
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Energy: 0.751178909731442
Energy: 0.7401729192164103
Energy: 0.7536875698605509
Energy: 0.7567999227728119
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Energy: 0.7511778729725916
Energy: 0.764440905145874
Energy: 0.7457890184606618
Energy: 0.7397530003054367
Energy: 0.7143341854427375
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Energy: 0.7485183639944917
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Energy: 0.7514490927547771
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Energy: 0.7448466538595376
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Energy: 0.7356796052251866
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Energy: 0.7450323980514779
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Energy: 0.7473248282675405
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Energy: 0.731100110926594
Energy: 0.7461140414391015
Energy: 0.7395294712060739
Energy: 0.7321890020929254
Energy: 0.7383500273868557
Energy: 0.7361770571656111
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Energy: 0.7312459588728164
Energy: 0.7168951315370251
Energy: 0.7344772114246303
Energy: 0.7368085385595804
Energy: 0.7446488404645506
Energy: 0.731400959532517
Energy: 0.7390464973146084
Energy: 0.7366250202545143
Energy: 0.7633058376751588
Energy: 0.7036156310283103
Energy: 0.701913932608887
Energy: 0.7179725449137976
Energy: 0.7337445288647254
Energy: 0.7510862831175171
Energy: 0.719654022672949
Energy: 0.7193584556568335
Energy: 0.7310443051923415
Energy: 0.7038027275467145
Energy: 0.7168854527911321
Energy: 0.7096118400749089
Energy: 0.7098815954554136
Energy: 0.7226128226118876
Energy: 0.723860013545807
Energy: 0.7392608593917517
Energy: 0.7139724223146847
Energy: 0.7260964285310679
Energy: 0.7225111703284209
Energy: 0.7510088337142888
Energy: 0.7476950718416959
Energy: 0.7141279847645609
Energy: 0.7166419112503886
Energy: 0.7034094481943866
Energy: 0.7380731359820764
Energy: 0.7382120643196792
Energy: 0.7218494449200588
Energy: 0.7175364535207188
Energy: 0.7220515399881965
Energy: 0.7277072771615206
Energy: 0.718799111238102
Energy: 0.7227063966912637
Energy: 0.7223517338225489
Energy: 0.7209217946141101
Energy: 0.7519862891493451
Energy: 0.7047801210604866
Energy: 0.7121933287047868
Energy: 0.710423782260555
Energy: 0.7345833807219531

minimum gb energy = 0.6995966889873845 eV
minimum distance =  2.31391307851887 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 0.46484572274316494
Energy: 0.5569454708733881
Energy: 0.5271777828782924
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Energy: 0.4049907778767938
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Energy: 0.3200490036340046
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Energy: 0.3624350063447417
Energy: 0.5973954097829782
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Energy: 0.5858395664629038
Energy: 0.5964668076708104
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Energy: 0.3217795127579435
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Energy: 0.6099838694070054
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Energy: 0.3197995277615509
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Energy: 0.5715379307426641
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Energy: 0.5581268359910838
Energy: 0.5192012454504736
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Energy: 0.5381357888681418
Energy: 0.557929199601914
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Energy: 0.5569591075165692
Energy: 0.5617752752723267
Energy: 0.48226475222592413
Energy: 0.4753341599448648
Energy: 0.37383648459842683
Energy: 0.5415135634513466
Energy: 0.5550099889011725
Energy: 0.5229925629241073
Energy: 0.36655715505721315
Energy: 0.3657125191793265
Energy: 0.5328900159889848
Energy: 0.5730530137504078
Energy: 0.5624365755237951
Energy: 0.36407206312942414
Energy: 0.36268007053558887
Energy: 0.5202850054069684
Energy: 0.5772683694080565
Energy: 0.5292722946344568
Energy: 0.5476773482930498
Energy: 0.4894939483371588
Energy: 0.5253332330168279
Energy: 0.5457448789165155
Energy: 0.552257370915976
Energy: 0.5392977540873976
Energy: 0.5415564792942027
Energy: 0.5298500513470384
Energy: 0.5743700411487201
Energy: 0.5705897431481147
Energy: 0.47494169580210477
Energy: 0.5029836267026315
Energy: 0.5494839746422342
Energy: 0.5745002456919465
Energy: 0.48563582695172475
Energy: 0.40766349027156473
Energy: 0.530779332395213
Energy: 0.5266644486499129
Energy: 0.6023547884239869
Energy: 0.4774571817790832

minimum gb energy = 0.31911954755295474 eV
minimum distance =  2.34893621457717 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.7760379678326367
Energy: 0.6504837475429391
Energy: 0.658859727355763
Energy: 0.6722035499356458
Energy: 0.6428727482598537
Energy: 0.6413468335022086
Energy: 0.6507705801574503
Energy: 0.658433128471181
Energy: 0.6758822052060381
Energy: 0.6470889955935716
Energy: 0.6491090431589694
Energy: 0.6692865193207563
Energy: 0.6636612058258688
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Energy: 0.6561669938783631
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Energy: 0.669361555927813
Energy: 0.6503127603583017
Energy: 0.6622616521856795
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Energy: 0.6812526109353967
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Energy: 0.6650227559323902
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Energy: 0.6660545986583386
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Energy: 0.6627673334441957
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Energy: 0.6585307066291577
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Energy: 0.6514568781334606
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Energy: 0.6605854297939904
Energy: 0.665987151399117
Energy: 0.6658651766471914
Energy: 0.6515854728131628
Energy: 0.650426009909867
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Energy: 0.6992254724050395
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Energy: 0.6639453890579671
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Energy: 0.6507549571238956
Energy: 0.6501258119199719
Energy: 0.6462054593719083
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Energy: 0.664730886471647
Energy: 0.6510016020388715
Energy: 0.6536820809348234
Energy: 0.6459635448009037
Energy: 0.6465348509574159
Energy: 0.6658804396575829
Energy: 0.6611038858211226
Energy: 0.6517268702677181
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Energy: 0.6506631079195515
Energy: 0.6528134444598067
Energy: 0.6592480607119118
Energy: 0.6526236432346996
Energy: 0.6549988052740852
Energy: 0.6515805642655768
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Energy: 0.6472331879259559
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Energy: 0.6622065821483851
Energy: 0.6501445948217577
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Energy: 0.677512902395618
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Energy: 0.6513405464120756
Energy: 0.6572850261072853
Energy: 0.6485267093453729
Energy: 0.6579214529281631
Energy: 0.6504117046904536
Energy: 0.6602100199032933
Energy: 0.645356033393099
Energy: 0.6538294050469083
Energy: 0.6588514996158886
Energy: 0.684166032327893
Energy: 0.6589242937761011
Energy: 0.6445704708655231
Energy: 0.6437704697409755
Energy: 0.6533725679341554
Energy: 0.6578847457244792
Energy: 0.6469542304906287
Energy: 0.658537421722316
Energy: 0.6533907351627084
Energy: 0.6531321594269973
Energy: 0.6510851426337816
Energy: 0.6463978400022445
Energy: 0.6526327881440966
Energy: 0.6704023203690845
Energy: 0.6560027505126588
Energy: 0.6575875939954313
Energy: 0.6516448318737794
Energy: 0.6509903808580952
Energy: 0.6563519429765035
Energy: 0.6741189470982835
Energy: 0.6516511172843518
Energy: 0.6448712003261872
Energy: 0.6514529583862049
Energy: 0.6565083529412652
Energy: 0.6510034790852912
Energy: 0.6559480945243271
Energy: 0.6696918070583999
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Energy: 0.6684899357299179
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Energy: 0.6419015902899559
Energy: 0.6394466081618055
Energy: 0.6515856814510903
Energy: 0.6584637244849915
Energy: 0.6558359922277907
Energy: 0.653699434672327

minimum gb energy = 0.6394466081618055 eV
minimum distance =  2.28481296134997 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.2264865373036746
Energy: 0.8093374985229667
Energy: 0.8294456102766754
Energy: 0.8303607656987876
Energy: 0.8131153433032815
Energy: 0.8233328492569054
Energy: 0.821037125916651
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Energy: 0.8227280634006451
Energy: 0.823111451093985
Energy: 0.8232270493750182
Energy: 0.8254229803608248
Energy: 0.8206057532848745
Energy: 0.8204907165922626
Energy: 0.8201604444536118
Energy: 0.8236163376460898
Energy: 0.8237789719647007
Energy: 0.8211846829104684
Energy: 0.8242706352681017
Energy: 0.8198565116305819
Energy: 0.8537053444136428
Energy: 0.8568736201233227
Energy: 0.8251810287716005
Energy: 0.8207877141161078
Energy: 0.8196689041418161
Energy: 0.8231697302445391
Energy: 0.859300938540911
Energy: 0.8249266653143664
Energy: 0.8202452928006811
Energy: 0.9114511064631309
Energy: 0.8195063807875357
Energy: 0.8202046509538257
Energy: 0.8153188236330232
Energy: 0.8199427395551342
Energy: 0.8234121774043993
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Energy: 0.8209524764679061
Energy: 0.8151831972368517
Energy: 0.8196765213612395
Energy: 0.8232442053019973
Energy: 0.8232452403626234
Energy: 0.8212700684958322
Energy: 0.8290191980097924
Energy: 0.8541709395675634
Energy: 0.823950997618137
Energy: 0.8227496951940662
Energy: 0.8221846763633839
Energy: 0.8288862962189849
Energy: 0.8542466086775099
Energy: 0.8229694000295272
Energy: 0.8298237270761581
Energy: 0.825475473745546
Energy: 0.8229039994089214
Energy: 0.8218206436500055
Energy: 0.8254645704761558
Energy: 0.8228925312562154
Energy: 0.8262639726953748
Energy: 0.8230198393123704
Energy: 0.8521502942741862
Energy: 0.8242658793780775
Energy: 0.8227943859356602
Energy: 0.82812799903053
Energy: 0.8289728079026313
Energy: 0.8242577754335242
Energy: 0.8222476424009588
Energy: 0.8238752419063555
Energy: 0.8296449169500469
Energy: 0.8257920044147701
Energy: 0.8227864132006953
Energy: 0.8236588512843006
Energy: 0.8083502643069808
Energy: 0.8228963914446739
Energy: 0.82293137143834
Energy: 0.8246794919328354
Energy: 0.8211537091089038
Energy: 0.809790230426222
Energy: 0.8231580784056572
Energy: 0.8224538917271883
Energy: 0.8237858400282628
Energy: 0.820242302276118

minimum gb energy = 0.808284171367412 eV
minimum distance =  2.30853399839405 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 1.41947687266462
Energy: 0.9388917065094232
Energy: 0.9444415224902769
Energy: 0.9356588856071135
Energy: 0.9570328652103384
Energy: 0.9198217297727626
Energy: 0.9437089376406582
Energy: 0.9520218702196335
Energy: 0.954726218076477
Energy: 0.953586765997673
Energy: 0.945052734029314
Energy: 0.9339969489911061
Energy: 0.9384503469958128
Energy: 0.9404873336986711
Energy: 0.9377040160818839
Energy: 0.9430161754956756
Energy: 0.9340653993011402
Energy: 0.9378587885616335
Energy: 0.9384414595762037
Energy: 0.9398286985929575
Energy: 0.9588716919118841
Energy: 0.9404707334921409
Energy: 0.9405952340843544
Energy: 0.935891968039134
Energy: 0.9343272577751054
Energy: 0.9626621208502169
Energy: 0.9393334326468614
Energy: 0.9338944232393265
Energy: 0.9744143023883866
Energy: 0.9467704683942658
Energy: 0.9366221438699284
Energy: 0.9621236125906645
Energy: 0.9282997472678297
Energy: 0.959727995357351
Energy: 0.9218247692500317
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minimum gb energy = 0.9142882326595442 eV
minimum distance =  2.30422319484142 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.9409692255831386
Energy: 0.9237391558760597
Energy: 0.9288329308186525
Energy: 0.9331892580362982
Energy: 0.9487130734984688
Energy: 0.937825211354435
Energy: 0.9503990315010669
Energy: 0.9633291786598189
Energy: 0.9486737563806268
Energy: 0.9509601653960211
Energy: 0.9401817820371071
Energy: 0.9508859066952979
Energy: 0.9634183311322297
Energy: 0.9336218511570757
Energy: 0.9499182897445937
Energy: 0.9888826620725946
Energy: 0.9291021018697804
Energy: 0.963328384842785
Energy: 0.931007897684137
Energy: 0.9889267461907378
Energy: 0.9886913703292153
Energy: 0.9299422691990668
Energy: 0.9447175074379669
Energy: 0.968175020800691
Energy: 0.9645078980574543
Energy: 0.9273535729428946
Energy: 0.9333011935455282
Energy: 0.9634154295841187
Energy: 0.9375809411264476
Energy: 0.9663073850659427
Energy: 0.9265403737454642
Energy: 0.9332679359600009
Energy: 0.9633208285602742
Energy: 0.9056833731145739
Energy: 0.9683362155535711
Energy: 0.9320659150405786
Energy: 0.928467729680658
Energy: 0.9413973006954715
Energy: 0.9031016990697317
Energy: 0.9656926967331108
Energy: 0.9264346827976726
Energy: 0.9295320446958897
Energy: 0.9410702873778802
Energy: 0.9336793289216462
Energy: 0.9221662685241434
Energy: 0.9278562822175935
Energy: 0.9274221386813997
Energy: 0.9224266406117111
Energy: 0.9366523062827711
Energy: 0.9217884973867249
Energy: 0.9257682981025208
Energy: 0.9284652542006562
Energy: 0.9228507686668623
Energy: 0.940598125536212
Energy: 0.9282918549529362
Energy: 0.9216564931509643
Energy: 0.9792213912014633
Energy: 0.9854059868035752
Energy: 0.943374637905801
Energy: 0.9244111523070003
Energy: 0.9216365757069147
Energy: 0.9780198990868261
Energy: 0.9248905971711799
Energy: 0.9746480338131855
Energy: 0.9018586046966429
Energy: 0.9139429997386836
Energy: 0.9538487348281588
Energy: 0.9531538449271932
Energy: 0.9751726973840843
Energy: 0.9012861911373059
Energy: 0.901536798129881
Energy: 0.9533734990555035
Energy: 0.9578360835464766
Energy: 0.9525487983323588
Energy: 0.9018598482359333
Energy: 0.967450259964175
Energy: 0.9260980235809807
Energy: 0.9214406163550143
Energy: 0.9532205798950546
Energy: 0.9016678196282426
Energy: 0.9013986667231042
Energy: 0.9268565588277079
Energy: 0.9218085505035424
Energy: 0.9232534923567016
Energy: 0.9250375795419464
Energy: 0.9302899530025546
Energy: 0.9268043465637892
Energy: 0.9217842840005461
Energy: 0.9246930698754559
Energy: 0.9207119172911461
Energy: 0.9292763342984659
Energy: 0.9250156706066504
Energy: 0.9211649085025923
Energy: 0.9263538274928295
Energy: 0.9219804033316197
Energy: 0.9424923398746111
Energy: 0.9259222307717724
Energy: 0.9434630766082737
Energy: 0.9251129407101193
Energy: 0.9228759583709822
Energy: 0.9414815142038917
Energy: 0.926578333593788
Energy: 0.9435115889652501
Energy: 0.9565372248387528
Energy: 0.940942645709096
Energy: 0.9644573102837715
Energy: 0.9506102746132528
Energy: 0.9378460500837654
Energy: 0.9219286340440137
Energy: 0.9632136548461613
Energy: 0.965643869646243
Energy: 0.9482287537762405
Energy: 0.9302407572536564
Energy: 0.9492909594568153
Energy: 0.9381820449686423
Energy: 0.9634136106207507
Energy: 0.951890998214484
Energy: 0.9642434595228784
Energy: 0.9445778862936722
Energy: 0.9344969241610862
Energy: 0.9350653970214545
Energy: 0.9539193730205027
Energy: 0.9288934722518328
Energy: 0.92817406863826
Energy: 0.933075659013677
Energy: 0.9786290263851184
Energy: 0.9384985972808741
Energy: 0.9360202336234773
Energy: 0.9268527816957204
Energy: 0.921970988514998
Energy: 0.9381245790640506
Energy: 0.9444537783752258
Energy: 0.9350355664447556
Energy: 0.9255099343821191
Energy: 0.9368332313470547
Energy: 0.8996159856081438
Energy: 0.9013823503926675
Energy: 0.9265700896519267
Energy: 0.925410264109138
Energy: 0.9391412204996357
Energy: 0.9096532205953483
Energy: 0.9035768440770283
Energy: 0.9260878292941886
Energy: 0.9273154073856645
Energy: 0.9335950009569287
Energy: 0.9223752836337764
Energy: 0.9228898534135759
Energy: 0.9224249463656381
Energy: 0.9267257283693301
Energy: 0.9348646695712727
Energy: 0.9547998654536971
Energy: 0.9251999574479245
Energy: 0.9227342598318236
Energy: 0.9576231693324428
Energy: 0.9235737875305591
Energy: 0.9245759020514768
Energy: 0.9515981265346086
Energy: 0.923422342343577
Energy: 0.9513097622876638
Energy: 0.9229261291868247
Energy: 0.9257935588809276
Energy: 0.9519051378342496
Energy: 0.9232122665466724
Energy: 0.9018367761649005
Energy: 0.938818157677985
Energy: 0.9458738297331556
Energy: 0.9737719329361252
Energy: 0.947321614857827
Energy: 0.9419695522804618
Energy: 0.9321810026576227
Energy: 0.9630065582673535
Energy: 0.9758813245459484
Energy: 0.9082859617379475
Energy: 0.9725241288730654
Energy: 0.9214928208741148
Energy: 0.9241042291428547
Energy: 0.952644572294706
Energy: 0.9091110314447671
Energy: 0.9746390743601617
Energy: 0.9209652497596047
Energy: 0.923992302061789
Energy: 0.9525547808803793
Energy: 0.9045719551588334
Energy: 0.9268344009092929
Energy: 0.9252725604116228
Energy: 0.9213314270379197
Energy: 0.9336924962090475
Energy: 0.9222537552864208
Energy: 0.9272421466116244
Energy: 0.9272954338486972
Energy: 0.921186940261047
Energy: 0.9380641351380797
Energy: 0.951231936017804
Energy: 0.9439438984134979
Energy: 0.9528388356722323
Energy: 0.9409947036693066
Energy: 0.9226686053532762
Energy: 0.9255106867181775
Energy: 0.9319651488023055
Energy: 0.9528796813264608
Energy: 0.9427726312887299
Energy: 0.9216505529961052
Energy: 0.9265201811406105
Energy: 0.9313739737872762
Energy: 0.948184559555366
Energy: 0.9747957678924946
Energy: 0.9223589870861588
Energy: 0.9629481826556411
Energy: 0.9479814358235561
Energy: 0.950641154251833
Energy: 0.971434555591789
Energy: 0.9567917520792155
Energy: 0.9632130743193161
Energy: 0.9339327978736076
Energy: 0.9511311954545135
Energy: 0.9991298471503298
Energy: 0.932198269128165
Energy: 0.9638885377323668
Energy: 0.9320543848879131
Energy: 0.953222074361406
Energy: 0.9888879468921775
Energy: 0.9336252386482319
Energy: 0.9435610262588714
Energy: 0.9021553931187797
Energy: 0.9331371353069888
Energy: 0.9295135007598744
Energy: 0.9262735420135383
Energy: 0.9636866413167835
Energy: 0.9436729488419208
Energy: 0.9328922904324548
Energy: 0.9283837392385191
Energy: 0.9266897382983683
Energy: 0.9483749462832074

minimum gb energy = 0.8996159856081438 eV
minimum distance =  2.24885400510959 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.8883930259721248
Energy: 0.904607681405185
Energy: 0.9681594265144169
Energy: 0.9057252355547095
Energy: 0.8991611441089529
Energy: 0.8887786173413238
Energy: 0.9057088502147039
Energy: 0.9688681343511941
Energy: 0.9057295400981222
Energy: 0.8948237758897521
Energy: 0.9803204830024798
Energy: 0.9022957323978344
Energy: 0.9011680693267924
Energy: 0.9038075179263724
Energy: 0.902731039022149
Energy: 0.9551756743619232
Energy: 0.9041255198093281
Energy: 0.8948581444290741
Energy: 0.9041551945303751
Energy: 0.9042778375481436
Energy: 0.9048558157876958
Energy: 0.9033222765472513
Energy: 0.903813133941309
Energy: 0.9057483200691431
Energy: 0.9557493570545967
Energy: 0.9046792653256728
Energy: 0.90243905761985
Energy: 0.9037286629365342
Energy: 0.9689283670130859
Energy: 0.9561596119028736
Energy: 0.9677467788565666
Energy: 0.8905244716159575
Energy: 0.8920602700591811
Energy: 0.9048709931944114
Energy: 0.958684116926534
Energy: 0.9706202646275541
Energy: 0.8901998282993984
Energy: 0.8936065402242326
Energy: 0.9045829116928445
Energy: 0.8922307373421378
Energy: 0.9041945395785577
Energy: 0.9016619916986833
Energy: 0.8897150390913331
Energy: 0.9014249117382225
Energy: 0.9041584004176009
Energy: 0.9044349802270434
Energy: 0.8977966224753436
Energy: 0.8900472067143941
Energy: 0.9006548896419626
Energy: 0.901982711659029
Energy: 0.9039867370922796
Energy: 0.9665640298267117
Energy: 0.9063538469986684
Energy: 0.9038835563783223
Energy: 0.8979007454613018
Energy: 0.9048482629324339
Energy: 0.9695381299597235
Energy: 0.9061118916886977
Energy: 0.9028634368373575
Energy: 0.9029616013654744
Energy: 0.9719369051941943
Energy: 0.8923105157500802
Energy: 0.9051182643274006
Energy: 0.9022983636254134
Energy: 0.900507808200896
Energy: 0.903987713284978
Energy: 0.8910555647208166
Energy: 0.9038533558922823
Energy: 0.9016192683812236
Energy: 0.9005275701208975
Energy: 0.9055563791159261
Energy: 0.9539985187679367
Energy: 0.9046495606489
Energy: 0.8894161091136739
Energy: 0.9038015536021153
Energy: 0.9058099191700975
Energy: 0.9542427650098521
Energy: 0.9049783521388993
Energy: 0.8891737431689297
Energy: 0.9057792143081507
Energy: 0.9012932434103493
Energy: 0.8928403551960141
Energy: 0.9039395724889666
Energy: 0.8912286823932903
Energy: 0.9570612699325933
Energy: 0.9007418732588915
Energy: 0.9023163162050862
Energy: 0.9041746830400955
Energy: 0.8907368231741086
Energy: 0.9617724362207956
Energy: 0.9035312660396699
Energy: 0.904171601291551
Energy: 0.9550931814605006
Energy: 0.9703283381567199
Energy: 0.9041912634404655
Energy: 0.9032114460035873
Energy: 0.9041974329214183
Energy: 0.9548417391422827
Energy: 0.9088146692198349
Energy: 0.9037709519988297
Energy: 0.8909824648314971
Energy: 0.9059058209682131
Energy: 0.9021315078365925
Energy: 0.9027941257562103
Energy: 0.9579224119841536
Energy: 0.8912739216084563
Energy: 0.904935585530876
Energy: 0.8911255480342669
Energy: 0.9036327936470799
Energy: 0.9574855849703324
Energy: 0.8885672493109271
Energy: 0.9062692274168413
Energy: 0.9697322560346597
Energy: 0.9051278830903299
Energy: 0.90138519047863
Energy: 0.8891872846085697
Energy: 0.9058280411968681
Energy: 0.9049041229847624
Energy: 0.9052940059125534
Energy: 0.8956552792456348
Energy: 0.958785425154901
Energy: 0.901988720897799
Energy: 0.9011609652606573
Energy: 0.9036941241961363
Energy: 0.9028932485169558
Energy: 0.9553644817227332
Energy: 0.9037960367903094
Energy: 0.8945541499623166
Energy: 0.9044771525963046
Energy: 0.9054067475818705
Energy: 0.9045280573370188
Energy: 0.9035210862124282
Energy: 0.9037002265239246
Energy: 0.9061140102001067
Energy: 0.9556719419798946
Energy: 0.9042722962119796
Energy: 0.9026667230058584
Energy: 0.9036164524717654
Energy: 0.9688277609927382
Energy: 0.9561770103521133
Energy: 0.9672302320433962
Energy: 0.890416525351875
Energy: 0.8918404064047988
Energy: 0.9048670382923111
Energy: 0.956512502718207
Energy: 0.9703081971569752
Energy: 0.890134877795295
Energy: 0.8933802126180189
Energy: 0.9046172616326991
Energy: 0.9559751647169746
Energy: 0.9038546880926316
Energy: 0.9022835831228181
Energy: 0.8895496672744495
Energy: 0.9008893083181695
Energy: 0.9042741274815473
Energy: 0.9047810121896075
Energy: 0.8935939527825679
Energy: 0.8898816631409756
Energy: 0.9008041452022055
Energy: 0.9021352785794654
Energy: 0.9030710083850649
Energy: 0.9666894452975974
Energy: 0.9060759197215912
Energy: 0.9030188881740656
Energy: 0.897135439718498
Energy: 0.9044743009167331
Energy: 0.9700893358107664
Energy: 0.9057452258726472
Energy: 0.9026071207031866
Energy: 0.9015203516152274
Energy: 0.9067824800769074
Energy: 0.8924655318080063
Energy: 0.9049566253663494
Energy: 0.9024191926208921
Energy: 0.9004066394922864
Energy: 0.9040218693485068
Energy: 0.8910811568638436
Energy: 0.9042031779260213
Energy: 0.9017808713223083
Energy: 0.901047044857928
Energy: 0.9057499429796242
Energy: 0.9533021221568408
Energy: 0.9045420013913872
Energy: 0.8895046382420976
Energy: 0.9036239977694183
Energy: 0.9064712390330733
Energy: 0.9535970727835141
Energy: 0.9048951289280469
Energy: 0.8891379191487455
Energy: 0.9061448180143354
Energy: 0.9021892906426751
Energy: 0.8947130039181088
Energy: 0.9043233898642437
Energy: 0.8913974322194946
Energy: 0.9572580975604914
Energy: 0.9009730292077324
Energy: 0.9020407604964907
Energy: 0.9045901431310139
Energy: 0.8907209923182515
Energy: 0.9010191929276251
Energy: 0.903819226279159
Energy: 0.9041612111426026
Energy: 0.9538949179589058
Energy: 0.9689453017686892
Energy: 0.9041379311406113
Energy: 0.9031775894589156
Energy: 0.9042700288411197
Energy: 0.9545392390852494
Energy: 0.9063978217853919
Energy: 0.9040604351702466
Energy: 0.8906984999392383
Energy: 0.9052170747928071
Energy: 0.9025940102830305
Energy: 0.9030944043151409
Energy: 0.9594108654882141
Energy: 0.891040381279077
Energy: 0.90441589219168
Energy: 0.8908611895716084
Energy: 0.9038709510217217
Energy: 0.9571513153205179

minimum gb energy = 0.8883930259721248 eV
minimum distance =  2.26256936754411 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 0.892920880454996
Energy: 0.9518122166041387
Energy: 0.9968763303844878
Energy: 0.9418661225319691
Energy: 0.9612772962460632
Energy: 0.9552157060998343
Energy: 0.9679269333699343
Energy: 0.996113490637143
Energy: 0.9400766492153232
Energy: 0.9315860074397992
Energy: 0.8837184725055444
Energy: 0.9661574029957744
Energy: 0.9410613119288244
Energy: 0.940141735953852
Energy: 0.9790788431421835
Energy: 0.8866611344988343
Energy: 0.966273365365206
Energy: 0.9401338388771322
Energy: 0.9696108612167136
Energy: 0.9359866496165742
Energy: 1.006788789323014
Energy: 0.9127800429967033
Energy: 0.8938616809334037
Energy: 0.9468789257712886
Energy: 0.9045372871844998
Energy: 0.9902779918019886
Energy: 0.9388701299507509
Energy: 0.8941364780677784
Energy: 0.9404877729345993
Energy: 0.895546976824322
Energy: 0.8960146435289489
Energy: 0.8899234372978907
Energy: 0.9651944758606341
Energy: 0.9979176136922702
Energy: 0.8863149509427272
Energy: 0.9472810626125646
Energy: 0.8908470641462012
Energy: 0.960703425971824
Energy: 1.0034142848696808
Energy: 0.8940804556568781
Energy: 0.9999209183059935
Energy: 0.9631528861782367
Energy: 0.9488267990470911
Energy: 0.8946730399977082
Energy: 0.965799884201773
Energy: 1.0018847475863821
Energy: 0.9633058028940964
Energy: 0.8806824493720081
Energy: 0.8947727114267956
Energy: 0.8775355451954777
Energy: 0.9277146987855974
Energy: 0.894261118405635
Energy: 0.893886207356294
Energy: 0.9930549913415654
Energy: 1.0610909461471931
Energy: 0.8979036116220773
Energy: 0.8944209575651292
Energy: 0.8936318618616231
Energy: 1.008474955155828
Energy: 1.0450382748690734
Energy: 0.8972139060370959
Energy: 0.8938579212987403
Energy: 0.8965907279034506
Energy: 0.8993679099741517
Energy: 1.0186570983415515
Energy: 0.8994582025869802
Energy: 0.8939345673931781
Energy: 0.8959228201534879
Energy: 0.9313016403086446
Energy: 1.0231826202354406
Energy: 0.9358724953702904
Energy: 0.8956548677200975
Energy: 0.8993319968822359
Energy: 0.9490304685604117
Energy: 0.9519445383665298
Energy: 0.8974380657986792
Energy: 0.894682798226631
Energy: 0.9284127709593345
Energy: 0.9492496562423927
Energy: 0.9764269483083236
Energy: 0.8968781687639967
Energy: 1.0605906702822985
Energy: 0.9536673149251238
Energy: 0.8899704598806405
Energy: 0.8945127179750966
Energy: 0.8963413681191476
Energy: 1.0615474012137387
Energy: 0.9528003844118754
Energy: 0.8903381305829985
Energy: 0.8946108576535213
Energy: 0.9629567569694867
Energy: 0.942228783885694
Energy: 0.9003687089638517
Energy: 0.8974018061045433
Energy: 0.9146291561904836
Energy: 0.947683000133367
Energy: 0.9460043905437789
Energy: 0.9002391641786823
Energy: 0.8831124670360458
Energy: 0.9162307415426428
Energy: 0.9671165877748863
Energy: 0.9197233635153695
Energy: 0.9115813393149806
Energy: 0.9119462899013623
Energy: 0.912496629119428
Energy: 0.9525867010374847
Energy: 0.9039838700235507
Energy: 0.9118186494606323
Energy: 0.9122399917043789
Energy: 0.897415580635668
Energy: 1.054303869568416
Energy: 0.9584614168192267
Energy: 0.9082670994140456
Energy: 0.8819892273721295
Energy: 0.9602258853178709
Energy: 1.042474041957416
Energy: 0.9544731188006921
Energy: 0.899521424319413
Energy: 0.8815557133275224
Energy: 0.9570219892799995
Energy: 0.9941969950364
Energy: 0.9415040642088228
Energy: 0.9141296374204416
Energy: 0.9636783083526397
Energy: 0.9416219236521612
Energy: 0.9954922833078004
Energy: 0.9262333951058348
Energy: 0.9137189802232268
Energy: 0.9583488801894409
Energy: 0.9380884527134109
Energy: 0.9424389600942756
Energy: 0.9607531935070128
Energy: 1.009332114141934
Energy: 0.9413967818399025
Energy: 0.9542719136095994
Energy: 0.9408146785728413
Energy: 0.9621557480776719
Energy: 0.9908701262777437
Energy: 0.956602013093933
Energy: 0.9529731456718955
Energy: 0.9098961276190297
Energy: 0.9300751636745344
Energy: 1.0214680466334927
Energy: 1.0119488017237068
Energy: 0.9407946793252374
Energy: 0.9100935397249038
Energy: 0.8821614426565187
Energy: 1.0212045557970018
Energy: 0.9245523971011101
Energy: 0.9418723862159654
Energy: 1.0364145938436702
Energy: 1.023160737198774
Energy: 0.8829889544406757
Energy: 0.9289990047367197
Energy: 0.9592078553043629
Energy: 1.0356162177036177
Energy: 1.0237449584255127
Energy: 0.8832108862374765
Energy: 0.9285612591000745
Energy: 0.9220971283270705
Energy: 0.8841750344992045
Energy: 0.9005277922123353
Energy: 0.8920664161718547
Energy: 1.014746283434968
Energy: 0.9683245517423648
Energy: 0.8833647396712888
Energy: 0.9845433451903711
Energy: 0.9057880716623004
Energy: 1.0111880966590752
Energy: 0.9662429807014618
Energy: 1.0203255513530107
Energy: 1.0424477494994608
Energy: 1.0511991365709585
Energy: 0.9479272838491202
Energy: 0.8992496680504076
Energy: 1.0370376442152531
Energy: 1.0413940716937908
Energy: 1.0623815054742172
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Energy: 0.898212233800416
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Energy: 0.9008010251977634
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Energy: 0.8807799529876001
Energy: 0.9663627292270549
Energy: 0.9531825708744625
Energy: 0.8966395091097791
Energy: 0.8980460809664875
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Energy: 0.9495395072951986
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Energy: 0.9988861607352866
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Energy: 0.9025745850314292
Energy: 0.87904423222921
Energy: 0.9420953074064291
Energy: 0.8913053168428011
Energy: 0.8759529409691875
Energy: 0.9890881086921501
Energy: 1.0604453812263683
Energy: 0.8962983518214169
Energy: 0.8923447928477605
Energy: 0.8762924349076986
Energy: 0.9429203481112636
Energy: 1.0541057591937282
Energy: 0.9150281605032305
Energy: 0.9220435058571539
Energy: 0.9231127073327721
Energy: 0.8803033746744021
Energy: 0.9596164823181227
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Energy: 0.9221774930003148
Energy: 0.9216140520588119
Energy: 0.9312972283894559
Energy: 0.9386971845315029
Energy: 0.9148231422619191
Energy: 0.8771577228002436
Energy: 0.9006346353929918
Energy: 1.0360740030562865
Energy: 1.0352884922364094
Energy: 0.9866396175634298
Energy: 0.8781380935422415
Energy: 0.9013068328679454
Energy: 1.0366449023067317
Energy: 0.9836633520114035
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Energy: 0.8977473138725965
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Energy: 0.9511274123914191
Energy: 0.9662136200449798
Energy: 0.8726353258175997
Energy: 0.896635648676401
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Energy: 0.950535082775149
Energy: 0.9725701640647271
Energy: 0.898265425362372
Energy: 0.953360264912251
Energy: 0.9352280640433059
Energy: 0.9375577380571022
Energy: 0.9360680584662961
Energy: 0.9220566609411746
Energy: 0.9426306007555137
Energy: 0.9355898944474441
Energy: 0.9378245891164934
Energy: 0.9367430174845879
Energy: 0.9360168006107077
Energy: 1.0173678894085263
Energy: 0.9144137589154189
Energy: 0.9156934793532207
Energy: 0.9563926000937971
Energy: 0.9499133944904383
Energy: 1.0172676073666929
Energy: 0.9369710650633453
Energy: 0.8982843528737459
Energy: 0.9404750770151463
Energy: 0.8762441868656187
Energy: 0.8932952475551413
Energy: 0.9961426877367207
Energy: 0.9729469852637437
Energy: 1.0156017868667608
Energy: 1.030009581910137
Energy: 0.8939039210020805
Energy: 1.0138792520232716
Energy: 0.9656897596512738
Energy: 1.0253566109555061
Energy: 1.0296862607029738
Energy: 0.9058249036322822
Energy: 0.9626076854266709
Energy: 0.9521868376249468
Energy: 0.8973589167237577
Energy: 1.0269105355505708
Energy: 0.906482401486
Energy: 0.9516382840287347
Energy: 0.9527368272124243
Energy: 0.898530009092338
Energy: 1.011339165924822
Energy: 1.0518931657872013
Energy: 0.8970890454753954
Energy: 0.8966845397105595
Energy: 1.0171738118467608
Energy: 1.0531825540510953
Energy: 1.0238677417932345
Energy: 0.8972139192234121
Energy: 0.8968196939501492
Energy: 1.0306291898461664
Energy: 1.045064746802732
Energy: 0.8989857281452036
Energy: 0.9000680036417823
Energy: 0.8983624506127692
Energy: 0.9024511108434174
Energy: 0.9633009760638527
Energy: 0.8982571069563777
Energy: 0.9001457506295986
Energy: 0.8974177147612368
Energy: 0.9055738959545053
Energy: 1.0162586744122464
Energy: 0.9021174633198081
Energy: 0.8976365576451328
Energy: 0.9021671650882201
Energy: 0.8904845813787907
Energy: 0.9884580364201194
Energy: 0.9001979197923886
Energy: 0.8973272805247273
Energy: 0.9020335641953736
Energy: 0.8906736799840055
Energy: 0.9904316020847884
Energy: 0.9583257418560194
Energy: 0.9244956201764496
Energy: 0.9467561865506388
Energy: 0.9494254566775855
Energy: 0.8852707755415241
Energy: 0.949105167557235
Energy: 0.9104604136906821
Energy: 0.9448890693941515
Energy: 0.8903740718745143
Energy: 0.8850332813194983
Energy: 0.911357676606535
Energy: 1.0465623083856872
Energy: 0.885829368971411
Energy: 0.8974387845285995
Energy: 0.9139194147393025
Energy: 0.9101879746569781
Energy: 1.0461492277009317
Energy: 0.8850663520370747
Energy: 0.897816143474525
Energy: 0.9130714684953225
Energy: 0.9652562798347447
Energy: 0.901078536370655
Energy: 0.9092137460705866
Energy: 0.9122130894830898
Energy: 0.8859981794280402
Energy: 0.9669906665374797
Energy: 0.9044655448103404
Energy: 0.909712207341742
Energy: 0.9132602459223308
Energy: 0.8873669827824537
Energy: 1.054013600424118
Energy: 0.9479324521868041
Energy: 0.8966888291062071
Energy: 0.8820891983999587
Energy: 0.9423577149105735
Energy: 1.0395718845980664
Energy: 0.949647472701154
Energy: 0.8814505870158117
Energy: 0.8814133115698111
Energy: 0.9415091864109413
Energy: 0.9686248661312736
Energy: 0.8845791674224928
Energy: 0.9015002428453609
Energy: 0.9095417569275273
Energy: 0.9352026896246669
Energy: 1.0051134634627397
Energy: 0.8844425238994397
Energy: 0.9003282678766635
Energy: 0.9119487650813313
Energy: 0.9196904081855
Energy: 0.9386363955716728
Energy: 0.9473319607562537
Energy: 0.9795505694644936
Energy: 0.9169367812301761
Energy: 0.9298390929906719
Energy: 0.9377122933835216
Energy: 0.9457872089569618
Energy: 0.9178660433693808
Energy: 0.8976459970749125
Energy: 0.9293192481086835
Energy: 0.8954041946762031
Energy: 0.9280022723523869
Energy: 0.8819271160718228
Energy: 0.931531600084424
Energy: 0.9395043289268753
Energy: 0.9252539461190316
Energy: 0.9294316531291829
Energy: 0.8967934047133227
Energy: 0.930897533284489
Energy: 0.9424342057641287
Energy: 1.0286008957529242
Energy: 1.0222550262137087
Energy: 1.024376235592303
Energy: 1.0070661304716881
Energy: 0.9189943525209722
Energy: 1.028248444637301
Energy: 1.0225431514618197
Energy: 1.0237858489991498
Energy: 1.0056568199499416
Energy: 0.9118993957800161
Energy: 0.8857318963745991
Energy: 1.0346554025476788
Energy: 0.9378848095620975
Energy: 1.0006643626193745
Energy: 0.9500090042911569
Energy: 0.8885859234968071
Energy: 1.029094339871469
Energy: 0.9401266475976271
Energy: 1.0311545944304128
Energy: 0.9540337691096652
Energy: 1.0246793539415244
Energy: 1.0648490491321352
Energy: 1.0614209135435884
Energy: 0.924648539923654
Energy: 0.895888808042083
Energy: 1.0393076493909557
Energy: 1.0645786787024316
Energy: 1.0702477337715686
Energy: 0.9623967489455879
Energy: 0.8945064690848346
Energy: 0.8949555855983797
Energy: 0.9093766715537541
Energy: 0.9138079663620434
Energy: 0.8940994318933879
Energy: 0.9029048877866314
Energy: 0.8952127428401218
Energy: 0.9077300229477138
Energy: 0.9000167727512749
Energy: 0.8951479895476394
Energy: 0.9062506429062331
Energy: 0.9025675182465137
Energy: 0.9497631004483458
Energy: 0.9361376580959337
Energy: 0.8935589066655568
Energy: 0.895068298503086
Energy: 0.9502513629048758
Energy: 0.9525163555422022
Energy: 0.9592902097411719
Energy: 0.8933197051091131
Energy: 0.8955814175641317
Energy: 0.9832741440274472
Energy: 0.8907413420817542
Energy: 0.9049083117961707
Energy: 0.94682448227515
Energy: 0.958429591355036
Energy: 0.9637811176852468
Energy: 0.9072487269327985
Energy: 0.9000248113729663
Energy: 0.9722215070793964
Energy: 0.9690419988182372
Energy: 0.8949524556227231
Energy: 0.8937630445861944
Energy: 0.9175536623089967
Energy: 1.0641758871409368
Energy: 0.8965831832050617
Energy: 0.887050394349894
Energy: 0.8865406067383507
Energy: 0.9337899361992555
Energy: 1.06479102394147
Energy: 0.8976219522868751
Energy: 0.9025403579409185
Energy: 0.8954044884957824
Energy: 0.9011544574671756
Energy: 0.8941387925598713
Energy: 0.8881935286705986
Energy: 0.9039633838292512
Energy: 0.9028237321825332
Energy: 0.9169924641342997
Energy: 0.9298953979488018
Energy: 0.8953438357149001
Energy: 0.8949648795340824
Energy: 0.8882588543196708
Energy: 1.035051249952958
Energy: 1.034545681343617
Energy: 1.0190470107940834
Energy: 0.8903107827944117
Energy: 0.9380243870865159
Energy: 1.0352039943743883
Energy: 0.9714569910090289
Energy: 1.0129735032688494
Energy: 0.9085901214070838
Energy: 1.0094531038364305
Energy: 0.8941077087059733
Energy: 0.9112885485374852
Energy: 0.8775190167964732
Energy: 0.9117234140742536
Energy: 0.9506999839489645
Energy: 0.8944759174899339
Energy: 0.899257232705508
Energy: 0.8787946498479149

minimum gb energy = 0.8726353258175997 eV
minimum distance =  2.23298462153123 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.2288698065585975
Energy: 0.900573645724133
Energy: 0.9562251103302369
Energy: 0.9383572680170389
Energy: 0.9009765823882566
Energy: 0.8869561305939264
Energy: 0.874519813003694
Energy: 0.9732701488293769
Energy: 0.9169544054863434
Energy: 0.8394115258323387
Energy: 0.8290552925027791
Energy: 0.9316547818020826
Energy: 0.9932964151313844
Energy: 0.9741904067921586
Energy: 0.918597961982405
Energy: 0.8323271794588825
Energy: 0.9371970342437768
Energy: 0.9953437557895037
Energy: 0.9329895296867383
Energy: 0.8339307198688777
Energy: 0.9071270957255214
Energy: 0.9223027885580662
Energy: 0.8628604394516635
Energy: 0.8683085753012767
Energy: 0.8373751456733478
Energy: 0.9065129788387952
Energy: 0.9217400408268496
Energy: 0.863761377121817
Energy: 0.867044628912288
Energy: 0.9107610666203976
Energy: 0.8661125031066191
Energy: 0.8703339558997446
Energy: 0.8604979628969913
Energy: 0.9069305253315925
Energy: 0.8339275800526853
Energy: 0.8672214757791666
Energy: 0.8678703426315919
Energy: 0.9338048680914576
Energy: 0.9076258767310313
Energy: 0.834792017495755
Energy: 0.8452928826693821
Energy: 0.9353629042092131
Energy: 0.8464767866054154
Energy: 0.861870795669688
Energy: 0.8900675587896818
Energy: 0.8452888616403624
Energy: 0.9365784843807246
Energy: 0.8628191823553844
Energy: 0.8569516612436207
Energy: 0.8888408034118798
Energy: 0.8917132610212338
Energy: 0.8656364660020838
Energy: 0.8322233422315647
Energy: 0.9059497422180872
Energy: 0.8867164958205483
Energy: 0.8921777069406255
Energy: 0.865228455731857
Energy: 0.8328031655507583
Energy: 0.9066270147664052
Energy: 0.8871282315144665
Energy: 0.9090929809873796
Energy: 0.9036059965697064
Energy: 0.9055754840171295
Energy: 0.8672137921069221
Energy: 0.8602264900357627
Energy: 0.9082453666996868
Energy: 0.9040351572594831
Energy: 0.904685453179755
Energy: 0.868432370161933
Energy: 0.85981511015655
Energy: 0.9177055992807549
Energy: 0.9035410433692912
Energy: 0.8664875357680034
Energy: 0.9177025064248104
Energy: 0.9331103618012576
Energy: 0.9192665396256168
Energy: 0.8326575051788422
Energy: 0.8665415485362572
Energy: 0.918014011111268
Energy: 0.9326443636103467
Energy: 0.8653957770522495
Energy: 0.8629308473484708
Energy: 0.8772473597178405
Energy: 0.864454153632456
Energy: 0.8663153144004999
Energy: 0.8642523279932477
Energy: 0.8627137391456201
Energy: 0.8757104451193315
Energy: 0.8336701369036065
Energy: 0.8652477748373271
Energy: 0.8799394398406823
Energy: 0.9105312945326905
Energy: 0.8379320631058736
Energy: 1.0104210132049332
Energy: 0.9339583769267503
Energy: 0.9103728495281331
Energy: 0.8633163590454247
Energy: 0.8365455060351146
Energy: 0.9910686874995083
Energy: 0.9337573680058774
Energy: 0.8343511399694077
Energy: 0.8337374663476754
Energy: 0.9344456544381036
Energy: 0.8868752122521332
Energy: 0.8333408677943706
Energy: 0.8338972522612164
Energy: 0.8338107126230214
Energy: 0.9337620531418813
Energy: 0.8867335488084235
Energy: 0.8696640130548018
Energy: 0.8356587065241133
Energy: 0.8376070058345442
Energy: 0.8373570568459325
Energy: 0.9377852904697149
Energy: 0.8351609567606427
Energy: 0.8354806764918979
Energy: 0.8337742453977262
Energy: 0.8332165589909103
Energy: 0.9370791650300953
Energy: 0.834600285400276
Energy: 0.8331353745905536
Energy: 0.8371393979073322
Energy: 0.9397478257532154
Energy: 0.9368387578252073
Energy: 0.8351714072784734
Energy: 0.8342357438357808
Energy: 0.8354493824620068
Energy: 0.9421576031951674
Energy: 0.9315587866197528
Energy: 0.8328769325492033
Energy: 0.8326377431581704
Energy: 0.8379156738692882
Energy: 0.9577451665137361
Energy: 0.8366609078783154
Energy: 0.8395960005968204
Energy: 0.8351586756302021
Energy: 0.8764384810102928
Energy: 1.0328301921689609
Energy: 0.8360905891088249
Energy: 0.8906454372939805

minimum gb energy = 0.8290552925027791 eV
minimum distance =  2.29804689105905 Angstroms
sigma value = 33