Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_CuTa__MO_950828638160_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6149601638317113
cohesive_energy=3.540273359423524
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.016771550480934403
Energy: 0.31643872186633204
Energy: 0.589127772567323
Energy: 0.3164206719597124
Energy: 0.016771550478658262
Energy: 0.3164387218645965
Energy: 0.9336486609362681
Energy: 0.32105242496227077
Energy: 0.017533152118571062
Energy: 0.203737994786738
Energy: 0.017512249569198307
Energy: 0.32105242496025066
Energy: 0.017533152118087387
Energy: 0.20373799478574223
Energy: 0.016771550480934403
Energy: 0.3164387218655923
Energy: 0.5891277725670668
Energy: 0.31642067195994
Energy: 0.016771550478658262
Energy: 0.3164387218650802
Energy: 0.9336486609362681
Energy: 0.32105242496252684
Energy: 0.017533152118315
Energy: 0.20373799478651045
Energy: 0.017512249568686175
Energy: 0.3210524249605068
Energy: 0.01753315211783132
Energy: 0.20373799478548618
Energy: 0.016771550481162016
Energy: 0.31643872186607597
Energy: 0.589127772567323
Energy: 0.31642067195945633
Energy: 0.016771550478914328
Energy: 0.3164387218653362
Energy: 0.9336486609362681
Energy: 0.32105242496227077
Energy: 0.017533152118315
Energy: 0.203737994786738
Energy: 0.017512249568942245
Energy: 0.32105242496025066
Energy: 0.017533152118315
Energy: 0.20373799478525856

minimum gb energy = 0.016771550478658262 eV
minimum distance =  2.53446460357854 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

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Energy: 0.8472423237678121
Energy: 0.8481319778617157
Energy: 0.8472255788301357
Energy: 0.8489000920638485
Energy: 0.8472423237494594
Energy: 0.874831043107733
Energy: 0.7948506520157084
Energy: 0.8033780854477864
Energy: 0.8033644420223035
Energy: 0.8113211718915642
Energy: 0.7948506520157084
Energy: 0.8033780854508452
Energy: 0.8033644420467186
Energy: 0.7867715246003274
Energy: 0.7883169185110703
Energy: 0.8123902369613194
Energy: 0.8007188320865125
Energy: 0.7867715246003274
Energy: 0.7883169184865997
Energy: 0.8026476432810759
Energy: 0.8668495736914386
Energy: 0.7982583708388318
Energy: 0.8077733736995915
Energy: 0.8137125470993493
Energy: 0.866849573700615
Energy: 0.79825837081742
Energy: 0.8077733737057091
Energy: 0.7906346051222168
Energy: 0.7819612243640844
Energy: 0.8366416089970778
Energy: 0.7843278790746189
Energy: 0.7906346051222168
Energy: 0.7819612243426727
Energy: 0.8366416090062542
Energy: 0.7859161936463644
Energy: 0.8033552214375771
Energy: 0.7915274209198557
Energy: 0.8024149063099186
Energy: 0.7859161936647174
Energy: 0.8033552214314594
Energy: 0.7915274208923263
Energy: 0.7813100180145018
Energy: 0.8000948291329608
Energy: 0.8192736891724909
Energy: 0.8056160073126998
Energy: 0.7813100180175606
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Energy: 0.7862977967104374
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Energy: 0.7874026904689918
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Energy: 0.7956578137851414
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Energy: 0.825010064323966
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Energy: 0.8095495985878719
Energy: 0.8134058759300014
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Energy: 0.7983808780850189
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Energy: 0.8243553578898166
Energy: 0.804831236837554
Energy: 0.7983808780666661
Energy: 0.7918172108364891
Energy: 0.8243553578806402
Energy: 0.8207887375674319
Energy: 0.8080031303596787
Energy: 0.8583424991155839
Energy: 0.8304205999395187
Energy: 0.8207887375888437
Energy: 0.80800313035662
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Energy: 0.7976559538721619
Energy: 0.8060541997711117
Energy: 0.7931106191276203
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Energy: 0.8060541997527587
Energy: 0.793110619145973
Energy: 0.7811857886303235
Energy: 0.7851643252045677
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Energy: 0.7964886090808654
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Energy: 0.801870916258046
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Energy: 0.7987268030125868
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Energy: 0.800520400206971
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Energy: 0.7983602045320285
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Energy: 0.799271428432928
Energy: 0.788241831719357
Energy: 0.7983602045075578
Energy: 0.797906468231357
Energy: 0.7992714284268104
Energy: 0.8391736867308098
Energy: 0.7899488067101311
Energy: 0.8087569330348013
Energy: 0.7943190340422857
Energy: 0.8391736867185746
Energy: 0.7899488067070723
Energy: 0.808756933040919
Energy: 0.8224285027582745
Energy: 0.8142092647589948
Energy: 0.8136713982567129
Energy: 0.8148934869917015
Energy: 0.8224285027521568
Energy: 0.8142092647528771
Energy: 0.813671398253654
Energy: 0.8419696271786851
Energy: 0.7985472487428014
Energy: 0.819109221920899
Energy: 0.7957931589315622
Energy: 0.8419696271786851
Energy: 0.7985472487580955
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Energy: 0.7816766320253077
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Energy: 0.8607933727945017
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Energy: 0.8233809489829856
Energy: 0.821680322675335
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Energy: 0.7910708721733931
Energy: 0.8140739684979893
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Energy: 0.8140739685102245
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Energy: 0.813282334176868
Energy: 0.7869820850057319
Energy: 0.7956618926767883
Energy: 0.792450185985016
Energy: 0.8132823341462798
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Energy: 0.7876192311916749
Energy: 0.8168897262751992
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Energy: 0.7876192311794397
Energy: 0.8168897262690815
Energy: 0.7812762531203555
Energy: 0.7908368038498043
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Energy: 0.7902810603248861
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Energy: 0.7758507882663421
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Energy: 0.8068795522684447
Energy: 0.779269497962202
Energy: 0.8020135115595
Energy: 0.85014050656836
Energy: 0.7864594379445259
Energy: 0.7792694979774406
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Energy: 0.8501405065622424
Energy: 0.8141515245595986
Energy: 0.8172674177068678
Energy: 0.799565180688603
Energy: 0.8140294406161325
Energy: 0.8141515245748926
Energy: 0.8172674176976913
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Energy: 0.7969760272272377
Energy: 0.8204045966069154
Energy: 0.8080768902078342
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Energy: 0.8518100509789485
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Energy: 0.8190284759808065
Energy: 0.7942445787422908
Energy: 0.851810050969772
Energy: 0.7959329857739658
Energy: 0.819028475989983
Energy: 0.824336878208802
Energy: 0.7900190716180456
Energy: 0.8131385076654004
Energy: 0.8150121501182318
Energy: 0.824336878208802
Energy: 0.7900190716211045
Energy: 0.8131385076684591
Energy: 0.8039683134927776
Energy: 0.8140313494913842
Energy: 0.819008517491483
Energy: 0.8132303965236176
Energy: 0.803968313489719
Energy: 0.814031349479149
Energy: 0.8190085174792479
Energy: 0.8433640935093784
Energy: 0.7909482030433689
Energy: 0.8366447992704826
Energy: 0.7996032390303023
Energy: 0.8433640935063197
Energy: 0.790948203067784
Energy: 0.8366447992429532
Energy: 0.7761067745949063
Energy: 0.8022518211091648
Energy: 0.8624999416948206
Energy: 0.8020598794734964
Energy: 0.7761067745887887
Energy: 0.8022518211030472
Energy: 0.8624999416978794
Energy: 0.7924599681555474
Energy: 0.838278734766972
Energy: 0.7940668396993281
Energy: 0.8416153606889991
Energy: 0.7924599681463708
Energy: 0.8382787347822105
Energy: 0.7940668396870927
Energy: 0.7745017702745184
Energy: 0.7955045461861362
Energy: 0.8213106948006361
Energy: 0.7961426991275071
Energy: 0.7745017702806362
Energy: 0.7955045461647247
Energy: 0.8213106947822832

minimum gb energy = 0.7743666553487838 eV
minimum distance =  2.28019125320503 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 0.8180678741894518
Energy: 0.821185485494194
Energy: 0.8278017265858296
Energy: 0.8111511100760925
Energy: 0.8180678741863585
Energy: 0.8211854854928052
Energy: 0.8332791885035941
Energy: 0.8000586114738738
Energy: 0.813747688560052
Energy: 0.8686712029588894
Energy: 0.8107385422718645
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Energy: 0.8127996176127513
Energy: 0.8324960280881709
Energy: 0.7946490958949848
Energy: 0.8176053834467848
Energy: 0.8760326595525403
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Energy: 0.7946490958929014
Energy: 0.8176053834481737
Energy: 0.8760326595522246
Energy: 0.7938093877912502
Energy: 0.8190303310875383
Energy: 0.8582095609634022
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Energy: 0.7938093877915658
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Energy: 0.8140852758772292
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Energy: 0.8318952602991839
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Energy: 0.7896292799930373
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Energy: 0.7920878345706917
Energy: 0.7873516671874731
Energy: 0.803591704965768
Energy: 0.8211706761195394
Energy: 0.79326680346429
Energy: 0.7873516671888618
Energy: 0.8035917049837599
Energy: 0.8211706761230114
Energy: 0.7874884506060611
Energy: 0.7899819424359242
Energy: 0.8062421321888988
Energy: 0.8070259475842355
Energy: 0.7874884506022103
Energy: 0.789981942438386
Energy: 0.8062421321812604
Energy: 0.7894957063163774
Energy: 0.7951959161946518
Energy: 0.8501492021334248
Energy: 0.8150715280764267
Energy: 0.7894957063021734
Energy: 0.795195916199134
Energy: 0.8644372154077419
Energy: 0.7938683475405648
Energy: 0.8031078541360918
Energy: 0.8538984504127021
Energy: 0.8142222702316153
Energy: 0.7938683475388604
Energy: 0.8031078541384906
Energy: 0.8745984071387091
Energy: 0.7944792276547437
Energy: 0.8294518922546376
Energy: 0.8943436146784316
Energy: 0.8136277180618005
Energy: 0.7944792276554382
Energy: 0.8294518922549532
Energy: 0.8731386199266835
Energy: 0.7896614947855729
Energy: 0.8206811713257403
Energy: 0.8663663066791284
Energy: 0.8241702244237267
Energy: 0.7896614947834897
Energy: 0.8206811713194905
Energy: 0.8690338735450964
Energy: 0.8155960766594504
Energy: 0.8058694179956001
Energy: 0.8538575462019731
Energy: 0.8196327803327883
Energy: 0.8155960766569883
Energy: 0.8058694179987566
Energy: 0.8433057613950014
Energy: 0.8187251523556419
Energy: 0.8211854854934997
Energy: 0.8351403153679012
Energy: 0.8111511100715473
Energy: 0.8187251523441527
Energy: 0.8211854854952672
Energy: 0.8351403153710576
Energy: 0.8000586114738738
Energy: 0.8137476885621351
Energy: 0.8342321488965057
Energy: 0.8102970251676014
Energy: 0.8000586114856789
Energy: 0.8137476885669961
Energy: 0.8342321488923391

minimum gb energy = 0.7873516671853897 eV
minimum distance =  2.34646756144993 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.8488403846445295
Energy: 0.8009738019652359
Energy: 0.9115127274823449
Energy: 0.8012174434260739
Energy: 0.8488403846429259
Energy: 0.8009738019600604
Energy: 0.8553717427817245
Energy: 0.8631105465450299
Energy: 0.8300016331094098
Energy: 0.8267459420388135
Energy: 0.8296413232023782
Energy: 0.8631105465458319
Energy: 0.8300016331098107
Energy: 0.8267459420392143
Energy: 0.8371047487744304
Energy: 0.826890497036961
Energy: 0.9178773535181771
Energy: 0.8452194095944862
Energy: 0.8371047487716239
Energy: 0.8268904970341912
Energy: 0.9213021856911902
Energy: 0.8335768388667409
Energy: 0.815443461890852
Energy: 0.8655585756676432
Energy: 0.8086073986141832
Energy: 0.8335768388675429
Energy: 0.8154434618904511
Energy: 0.8655585756696478
Energy: 0.8639515599462482
Energy: 0.8027305787725797
Energy: 0.8749783822654744
Energy: 0.8428721967105914
Energy: 0.8639515599470501
Energy: 0.8027305787737824
Energy: 0.8684121869156178
Energy: 0.8267517340414184
Energy: 0.8244964184805401
Energy: 0.8407289785771092
Energy: 0.7913456970618818
Energy: 0.8267517340390129
Energy: 0.8244964184805401
Energy: 0.8407289785791137
Energy: 0.8457652763919773
Energy: 0.8258833560782147
Energy: 0.8360714626239434
Energy: 0.8282420734238268
Energy: 0.8457652763943828
Energy: 0.8258833560790165
Energy: 0.8401007072070192
Energy: 0.875835715311239
Energy: 0.8128275129143474
Energy: 0.8287465689972852
Energy: 0.8294014965035912
Energy: 0.8758357153144464
Energy: 0.8128275129115408
Energy: 0.8287465689968843
Energy: 0.8307870744067543
Energy: 0.8301512806597106
Energy: 0.8540899113584705
Energy: 0.8384106302790441
Energy: 0.8307870744047497
Energy: 0.8301512806577058
Energy: 0.8540899113568668
Energy: 0.8249377095946796
Energy: 0.824723750755376
Energy: 0.86033801463233
Energy: 0.8160609862416048
Energy: 0.8249377095942788
Energy: 0.8247237507573806
Energy: 0.8603380146307262
Energy: 0.8630737725899754
Energy: 0.8327915578542988
Energy: 0.8470590993907673
Energy: 0.8029955457435174
Energy: 0.8630737725887727
Energy: 0.8327915578567043
Energy: 0.847059099387159
Energy: 0.8534425232395195
Energy: 0.8222660218026292
Energy: 0.8500461703503499
Energy: 0.8443499605118109
Energy: 0.8534425232351095
Energy: 0.82226602179862
Energy: 0.8500461703487462
Energy: 0.8441745377194925
Energy: 0.8279050040285976
Energy: 0.8913913008124961
Energy: 0.8293838760351716
Energy: 0.8441745377190915
Energy: 0.8279050040289985
Energy: 0.8913913008153025
Energy: 0.8447627921535272
Energy: 0.8372347741193886
Energy: 0.8559479734111018
Energy: 0.851696883449455
Energy: 0.8447627921559329
Energy: 0.8372347741197895
Energy: 0.8559479734070927
Energy: 0.8534592086564797
Energy: 0.8141017045794346
Energy: 0.8651800320384503
Energy: 0.801225226845485
Energy: 0.8534592086588852
Energy: 0.8141017045798357
Energy: 0.8651800320380493
Energy: 0.8382466419762921
Energy: 0.8277199161451446
Energy: 0.8572444685268227
Energy: 0.8225410829294793
Energy: 0.8382466419782966
Energy: 0.8277199161415364
Energy: 0.8572444685272235
Energy: 0.8631848512907425
Energy: 0.8266149607873406
Energy: 0.8464762476254307
Energy: 0.8136345133172445
Energy: 0.8631848512907425
Energy: 0.826614960790147
Energy: 0.8464762476170113
Energy: 0.8430877362735986
Energy: 0.8265982877929656
Energy: 0.8208320319796679
Energy: 0.8213544804718536
Energy: 0.8430877362711932
Energy: 0.8265982877981776
Energy: 0.8208320319808706
Energy: 0.8387767139880531
Energy: 0.8385518514341046
Energy: 0.8724026145948057
Energy: 0.82153397957231
Energy: 0.8387767139860484
Energy: 0.8385518514360728
Energy: 0.8724026145915984
Energy: 0.8481809422635807
Energy: 0.824737369305634
Energy: 0.8571251953284392
Energy: 0.8221116948127655
Energy: 0.8481809422635807
Energy: 0.8247373693064358
Energy: 0.85712519532443
Energy: 0.8235678839408739
Energy: 0.8325602453978002
Energy: 0.8318886612819374
Energy: 0.815182475121951
Energy: 0.8235678839424776
Energy: 0.8325602454006066
Energy: 0.848847010798457
Energy: 0.826864657938593
Energy: 0.8247948407355854
Energy: 0.8357699662793786
Energy: 0.8035556793870672
Energy: 0.8268646579365884
Energy: 0.8247948407395945
Energy: 0.8357699662761714
Energy: 0.8639529990553746
Energy: 0.8369642147207511
Energy: 0.7999678275353341
Energy: 0.8345166447772494
Energy: 0.8639529990549736
Energy: 0.8369642147267649
Energy: 0.7999678275377397
Energy: 0.8220418728937177
Energy: 0.8268372333432606
Energy: 0.8690779404171587
Energy: 0.8165989762670385
Energy: 0.8220418728909114
Energy: 0.8268372333420578
Energy: 0.8690779404163569
Energy: 0.8379323878005025
Energy: 0.8387480662824258
Energy: 0.8572833712117746
Energy: 0.8406706328072582
Energy: 0.8379323878021061
Energy: 0.8387480662812231
Energy: 0.8368799277425965
Energy: 0.8468675392978998
Energy: 0.8158236453795417
Energy: 0.87012249616011
Energy: 0.8058031139448921
Energy: 0.8468675392999044
Energy: 0.8158236453787399
Energy: 0.8701224961613128
Energy: 0.8566806880906571
Energy: 0.8009185389270197
Energy: 0.8867963312778349
Energy: 0.8010410967875019
Energy: 0.8566806880898553
Energy: 0.8009185389294252
Energy: 0.9194485362589344
Energy: 0.8511441985321816
Energy: 0.8262503515919497
Energy: 0.8290341452993756
Energy: 0.8143285509437264
Energy: 0.851144198534988
Energy: 0.8262503515935534
Energy: 0.8290341452985738
Energy: 0.8271173067275169
Energy: 0.8330159782608221
Energy: 0.9012194866609603
Energy: 0.8387198715679806
Energy: 0.8271173067255125
Energy: 0.8330159782640294
Energy: 0.9015152917479005
Energy: 0.8474710977918725
Energy: 0.8239820864015401
Energy: 0.8556973065652481
Energy: 0.8008886855463663
Energy: 0.8474710977986882
Energy: 0.8239820864015401
Energy: 0.8556973065640453
Energy: 0.8588615773473375
Energy: 0.8027320129950577
Energy: 0.8467033567774632
Energy: 0.8367566873205112
Energy: 0.8588615773509458
Energy: 0.8027320129922513
Energy: 0.846703356778666
Energy: 0.8244398426955593
Energy: 0.8040099820823111
Energy: 0.8377118965103595
Energy: 0.7927441303642397
Energy: 0.8244398426931537
Energy: 0.8040099820811084
Energy: 0.8377118965091566
Energy: 0.8456627977554203
Energy: 0.8291347055492144
Energy: 0.8399486245260148
Energy: 0.8327176394854062
Energy: 0.8456627977558213
Energy: 0.8291347055496154
Energy: 0.8423312863472353
Energy: 0.8479511408673076
Energy: 0.8086846679972973
Energy: 0.839843211101819
Energy: 0.8276039747494138
Energy: 0.8479511408665421
Energy: 0.8086846679940898
Energy: 0.8398432111030217
Energy: 0.8221712015218515
Energy: 0.8367554658894575
Energy: 0.8727189624555183
Energy: 0.8236613001249522
Energy: 0.8221712015226534
Energy: 0.8367554658874528
Energy: 0.865898804632546
Energy: 0.8382358816524883
Energy: 0.8245806532489276
Energy: 0.8673211452539944
Energy: 0.8186394100943654
Energy: 0.8382358816508846
Energy: 0.8245806532489276
Energy: 0.8673211452531926

minimum gb energy = 0.7913456970618818 eV
minimum distance =  2.33322636415472 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.7998905586947074
Energy: 0.831155405056798
Energy: 0.8868843987410375
Energy: 0.8311566746268493
Energy: 0.7998905586833515
Energy: 0.831155405062949
Energy: 0.8733314943093159
Energy: 0.789260750879583
Energy: 0.8632343109964213
Energy: 0.7784679796167742
Energy: 0.8627529805612605
Energy: 0.789260750882895
Energy: 0.8632343110035188
Energy: 0.7784679796148816
Energy: 0.799939547804132
Energy: 0.7575906915724758
Energy: 0.7982744566956161
Energy: 0.8261032630950619
Energy: 0.7999395477965615
Energy: 0.7575906915715296
Energy: 0.8425761949592543
Energy: 0.788334595476258
Energy: 0.8630835348618978
Energy: 0.7788709934480749
Energy: 0.8519364318748093
Energy: 0.7883345954729457
Energy: 0.8630835348746733
Energy: 0.7788709934461823
Energy: 0.8375730606466179
Energy: 0.8250879510026077
Energy: 0.8008035807958026
Energy: 0.8259472740749056
Energy: 0.8375730606423594
Energy: 0.8250879510021346
Energy: 0.80080358079391
Energy: 0.7883950114262366
Energy: 0.8399159236703806
Energy: 0.9009830531116697
Energy: 0.8522678596368577
Energy: 0.7883950114319146
Energy: 0.8399159236699074
Energy: 0.900983053123972
Energy: 0.8969032149492706
Energy: 0.8253672081772085
Energy: 0.8923604899843516
Energy: 0.8251742590901494
Energy: 0.896903214947378
Energy: 0.8253672081824135
Energy: 0.884557206649136
Energy: 0.7880149147262491
Energy: 0.7683557197240516
Energy: 0.931590624144499
Energy: 0.7683618004046018
Energy: 0.7880149147352392
Energy: 0.7683557197231052
Energy: 0.9315906241440258
Energy: 0.8969463766695395
Energy: 0.8250660132003776
Energy: 0.8809877949460561
Energy: 0.8251556622174719
Energy: 0.8969463766709589
Energy: 0.8250660132107873
Energy: 0.8857336470368616
Energy: 0.7883870023775138
Energy: 0.8523007635989219
Energy: 0.9010452181544469
Energy: 0.8400685005978046
Energy: 0.788387002372782
Energy: 0.8523007636055462
Energy: 0.9010452181582324
Energy: 0.8376648076041534
Energy: 0.8259122364657011
Energy: 0.7847484736673725
Energy: 0.8250787323884949
Energy: 0.8376648076003681
Energy: 0.8259122364590769
Energy: 0.7847484736621677
Energy: 0.788413956401236
Energy: 0.8520101828567754
Energy: 0.7788542908743229
Energy: 0.8630939102912598
Energy: 0.7884139563912996
Energy: 0.8520101828652923
Energy: 0.7788542908790116
Energy: 0.7999286814708593
Energy: 0.8261164735583525
Energy: 0.781334318082256
Energy: 0.7576045976317052
Energy: 0.7999286814585569
Energy: 0.8261164735531475
Energy: 0.7813343180779974
Energy: 0.7892773219681721
Energy: 0.8629035274484779
Energy: 0.7784331072532614
Energy: 0.8632169005578236
Energy: 0.7892773219563429
Energy: 0.8629035274565217
Energy: 0.7784331072612621
Energy: 0.7998905586923415
Energy: 0.8311554050577442
Energy: 0.8896402605258045
Energy: 0.8311566746259029
Energy: 0.7998905586833515
Energy: 0.8311554050638954
Energy: 0.8502194887109012
Energy: 0.7892607508805293
Energy: 0.8632343109959482
Energy: 0.7784679796148816
Energy: 0.8627529805617336
Energy: 0.789260750882422
Energy: 0.863234311003992
Energy: 0.7784679796144084
Energy: 0.7999395478055515
Energy: 0.7575906915734223
Energy: 0.8425761949597275
Energy: 0.8261032630945887
Energy: 0.7999395477946686
Energy: 0.757590691572949
Energy: 0.8425761949583078
Energy: 0.7883345954795702
Energy: 0.8630835348618978
Energy: 0.7788709934490212
Energy: 0.8519364318714971
Energy: 0.7883345954767311
Energy: 0.8630835348760929
Energy: 0.7788709934438164
Energy: 0.8375730606404668
Energy: 0.8250879510054466
Energy: 0.8008035808000611
Energy: 0.825947274078691
Energy: 0.8375730606433057
Energy: 0.8250879510045004
Energy: 0.8234189058654555
Energy: 0.7883950114248172
Energy: 0.839915923668488
Energy: 0.9009830531145088
Energy: 0.8522678596373308
Energy: 0.7883950114304951
Energy: 0.839915923668488
Energy: 0.9009830531249183
Energy: 0.89690321495069
Energy: 0.8253672081767354
Energy: 0.8519218258711272
Energy: 0.8251742590910958
Energy: 0.8969032149502169
Energy: 0.8253672081828866
Energy: 0.8519218258701808
Energy: 0.7880149147248295
Energy: 0.7683557197235784
Energy: 0.9315906241449722
Energy: 0.7683618004050748
Energy: 0.7880149147338198
Energy: 0.7683557197235784
Energy: 0.9315906241459184
Energy: 0.8969463766709589
Energy: 0.8250660131989582
Energy: 0.8739000699618927
Energy: 0.8251556622160524
Energy: 0.8969463766709589
Energy: 0.825066013210314
Energy: 0.8739000699590538
Energy: 0.7883870023779869
Energy: 0.8523007636003413
Energy: 0.9010452181577592
Energy: 0.8400685005968582
Energy: 0.7883870023742015
Energy: 0.8523007636064924
Energy: 0.9010452181610714
Energy: 0.8376648076050998
Energy: 0.8259122364614426
Energy: 0.7847484736683188
Energy: 0.8250787323903875
Energy: 0.8376648076008413
Energy: 0.8259122364562378
Energy: 0.7847484736607483
Energy: 0.7884139564021823
Energy: 0.8520101828581949
Energy: 0.7788542908719571
Energy: 0.8630939102903135
Energy: 0.7884139563912996
Energy: 0.8520101828657655
Energy: 0.7788542908780652
Energy: 0.7999286814741714
Energy: 0.8261164735588256
Energy: 0.781334318082256
Energy: 0.7576045976326514
Energy: 0.7999286814604495
Energy: 0.8261164735536207
Energy: 0.7813343180779974
Energy: 0.7892773219672258
Energy: 0.8629035274489512
Energy: 0.7784331072537346
Energy: 0.8632169005578236
Energy: 0.7892773219563429
Energy: 0.8629035274565217
Energy: 0.778433107263155
Energy: 0.7998905586947074
Energy: 0.8311554050586906
Energy: 0.8255201195259513
Energy: 0.8311566746268493
Energy: 0.7998905586833515
Energy: 0.8311554050643685
Energy: 0.8255201195292634
Energy: 0.789260750879583
Energy: 0.8632343109959482
Energy: 0.7784679796167742
Energy: 0.8627529805612605
Energy: 0.789260750882895
Energy: 0.863234311003992
Energy: 0.7784679796148816

minimum gb energy = 0.7575906915715296 eV
minimum distance =  2.34531373717829 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 0.8379322650352999
Energy: 0.8462201191450082
Energy: 0.8502961784787746
Energy: 0.8884822385052192
Energy: 0.8379322650341512
Energy: 0.8462201191438594
Energy: 0.866856911937701
Energy: 0.8363610314332434
Energy: 0.797865044587028
Energy: 0.8419498394355992
Energy: 0.8577893760459125
Energy: 0.8363610314326689
Energy: 0.7978650445876024
Energy: 0.8419498394361736
Energy: 0.832085164031253
Energy: 0.8574036338380142
Energy: 0.7993286429767562
Energy: 0.8014545021343417
Energy: 0.8320851640295298
Energy: 0.8574036338385885
Energy: 0.7993286429744586
Energy: 0.8501847240530794
Energy: 0.7979408913978847
Energy: 0.8274935492936939
Energy: 0.8040803512471097
Energy: 0.8501847240553772
Energy: 0.7979408913984593
Energy: 0.8274935492954172
Energy: 0.8323498986090653
Energy: 0.7887553342955733
Energy: 0.8404826621789296
Energy: 0.8297329857337773
Energy: 0.8323498986119373
Energy: 0.7887553342978708
Energy: 0.8404826621754834
Energy: 0.8525540122364916
Energy: 0.8321812920321283
Energy: 0.8990792053552604
Energy: 0.7978134870435214
Energy: 0.8525540122364916
Energy: 0.8321812920327027
Energy: 0.8990792053569837
Energy: 0.8372648443324625
Energy: 0.797427380860144
Energy: 0.8505633958446199
Energy: 0.8194496181791711
Energy: 0.8372648443324625
Energy: 0.7974273808624416
Energy: 0.8505633958463432
Energy: 0.8408306541569108
Energy: 0.8187251467381403
Energy: 0.8898705350827606
Energy: 0.803338061672475
Energy: 0.8408306541580596
Energy: 0.8187251467410125
Energy: 0.8898705350810372
Energy: 0.8371417085231275
Energy: 0.7971101669509789
Energy: 0.8051196746463741
Energy: 0.803388952992646
Energy: 0.8371417085202555
Energy: 0.7971101669532503
Energy: 0.7921510764166838
Energy: 0.8374213389311949
Energy: 0.8100207503885535
Energy: 0.8106584228441649
Energy: 0.7833999697498911
Energy: 0.8374213389294716
Energy: 0.8100207503874046
Energy: 0.8106584228424418
Energy: 0.863450513303314
Energy: 0.8071205208911302
Energy: 0.8186702628221116
Energy: 0.8150692844491164
Energy: 0.8634505133021653
Energy: 0.8071205208957254
Energy: 0.8186702628249837
Energy: 0.7869245113295081
Energy: 0.8108167031334969
Energy: 0.803905923143639
Energy: 0.7777518928815015
Energy: 0.7869245113283593
Energy: 0.8108167031340712
Energy: 0.8039059231390437
Energy: 0.8496641596084746
Energy: 0.8144009651747036
Energy: 0.8630364436965923
Energy: 0.7984391951118766
Energy: 0.8496641596090488
Energy: 0.8144009651724059
Energy: 0.8630364436960178
Energy: 0.7632481787644196
Energy: 0.8483974813804126
Energy: 0.826580697593657
Energy: 0.7781037433614432
Energy: 0.7632481787644196
Energy: 0.8483974813821359
Energy: 0.8265806975953803
Energy: 0.8507205110480976
Energy: 0.7850144176142446
Energy: 0.7952562189423394
Energy: 0.8073404691943415
Energy: 0.8507205110538416
Energy: 0.7850144176142446
Energy: 0.7952562189383185
Energy: 0.784923233202669
Energy: 0.8444056789011631
Energy: 0.8161278395710893
Energy: 0.8472033413248529
Energy: 0.784923233200972
Energy: 0.8444056789034607
Energy: 0.8161278395768333
Energy: 0.8503233526450175
Energy: 0.7853817744447787
Energy: 0.8630304784005698
Energy: 0.8075567749343884
Energy: 0.8503233526478634
Energy: 0.785381774446502
Energy: 0.8630304783994208
Energy: 0.762999968112809
Energy: 0.8363931822915316
Energy: 0.8128672486748632
Energy: 0.8659583527490484
Energy: 0.762999968113958
Energy: 0.8363931822926804
Energy: 0.8128672486771609
Energy: 0.8424761228172389
Energy: 0.775286357228908
Energy: 0.8714600183358152
Energy: 0.7985751145592946
Energy: 0.8424761228166645
Energy: 0.7752863572329287
Energy: 0.8714600183352408
Energy: 0.762937283076024
Energy: 0.8295372429639709
Energy: 0.8258375114357602
Energy: 0.8533476231962387
Energy: 0.7629372830771729
Energy: 0.8295372429605244
Energy: 0.8258375114392065
Energy: 0.8444313761390162
Energy: 0.7982102758003288
Energy: 0.8495830761971852
Energy: 0.7853864954083222
Energy: 0.8444313761390162
Energy: 0.7982102757986054
Energy: 0.8495830762006317
Energy: 0.7629568857888935
Energy: 0.8715903545464062
Energy: 0.8128801753226337
Energy: 0.8118230219194683
Energy: 0.7629568857929142
Energy: 0.871590354544683
Energy: 0.8128801753266546
Energy: 0.8506678519039461
Energy: 0.7982855892640442
Energy: 0.8542651015149234
Energy: 0.8203351677244214
Energy: 0.8506678519085414
Energy: 0.7982855892634698
Energy: 0.854265101514349
Energy: 0.7628523515236514
Energy: 0.8231297735382845
Energy: 0.8187254474766293
Energy: 0.8466766206907216
Energy: 0.762852351524774
Energy: 0.8231297735405821
Energy: 0.8187254474766293
Energy: 0.8507400661517139
Energy: 0.7982945038156651
Energy: 0.8077755618393959
Energy: 0.8232936116561564
Energy: 0.8507400661534372
Energy: 0.7982945038179626
Energy: 0.8077755618376729

minimum gb energy = 0.7628523515236514 eV
minimum distance =  2.33625678147341 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.8096978640326141
Energy: 0.9038948818717286
Energy: 0.7857920989766813
Energy: 0.9036173478808393
Energy: 0.8096978640390255
Energy: 0.9038948818717286
Energy: 0.7809089811331226
Energy: 0.871461406899453
Energy: 0.8484866264877594
Energy: 0.787598302428514
Energy: 0.8483463393271822
Energy: 0.8714614068962472
Energy: 0.848486626490965
Energy: 0.7875983024381312
Energy: 0.8094849453578062
Energy: 0.7923426077069502
Energy: 0.8703705106112642
Energy: 0.817614793559226
Energy: 0.8094849453802464
Energy: 0.7923426077037445
Energy: 0.870370510601647
Energy: 0.7732103546017771
Energy: 0.8485153580446394
Energy: 0.8222367668974371
Energy: 0.8481706847777613
Energy: 0.7732103545889543
Energy: 0.8485153580542567
Energy: 0.8222367669038485
Energy: 0.7931637340219841
Energy: 0.7809299393607372
Energy: 0.823806882538523
Energy: 0.7805457499226213
Energy: 0.7931637340187785
Energy: 0.7809299393543256
Energy: 0.823806882551346
Energy: 0.7531088922712776
Energy: 0.7968632633070581
Energy: 0.8405889140732664
Energy: 0.8058901891604616
Energy: 0.7531088922648663
Energy: 0.7968632633038524
Energy: 0.8405889140764723
Energy: 0.7795175242123406
Energy: 0.780985542308543
Energy: 0.826213555903659
Energy: 0.78338766301748
Energy: 0.7795175242219577
Energy: 0.7809855423149543
Energy: 0.8400953164597881
Energy: 0.7673630412080764
Energy: 0.8208809735965714
Energy: 0.8709643650882581
Energy: 0.796322629033346
Energy: 0.7673630412241049
Energy: 0.8208809735965714
Energy: 0.8709643650914638
Energy: 0.7792955622156854
Energy: 0.8040504986314054
Energy: 0.8921855102373892
Energy: 0.7862384601400159
Energy: 0.7792955622156854
Energy: 0.8040504986249939
Energy: 0.892185510227772
Energy: 0.7638101999933081
Energy: 0.808305168097885
Energy: 0.8447364714039473
Energy: 0.8163057388174165
Energy: 0.7638101999901024
Energy: 0.8083051680946793
Energy: 0.8447364714263873
Energy: 0.7794926078250272
Energy: 0.7893740831046521
Energy: 0.8535873367616515
Energy: 0.7863898714111037
Energy: 0.7794926078378502
Energy: 0.7893740831110636
Energy: 0.8788601187995544
Energy: 0.7638333774944468
Energy: 0.7905402948749768
Energy: 0.8899832668946304
Energy: 0.7922249801501785
Energy: 0.7638333774944468
Energy: 0.7905402948717711
Energy: 0.8899832668721903
Energy: 0.7800533585537361
Energy: 0.7922297452326823
Energy: 0.8533846257566416
Energy: 0.7910225910837313
Energy: 0.7800533585345018
Energy: 0.7922297452358881
Energy: 0.8533846257438188
Energy: 0.8000194003183194
Energy: 0.8304219201399268
Energy: 0.8127067011943516
Energy: 0.7844363833132886
Energy: 0.8000194003183194
Energy: 0.8304219201399268
Energy: 0.8127067011815288
Energy: 0.7800002130605155
Energy: 0.8106684016183094
Energy: 0.8144378176532043
Energy: 0.8291205656198362
Energy: 0.7800002130380754
Energy: 0.8106684016086921
Energy: 0.81443781765641
Energy: 0.7992502015631896
Energy: 0.7905077159806286
Energy: 0.8646484655867551
Energy: 0.7949355785606637
Energy: 0.7992502015824239
Energy: 0.7905077160030105
Energy: 0.8646484655771379
Energy: 0.8147326383869836
Energy: 0.791975983128572
Energy: 0.8510648773023772
Energy: 0.7905967496742075
Energy: 0.8147326383933953
Energy: 0.7919759831349833
Energy: 0.8590657446483934
Energy: 0.7629249946412252
Energy: 0.7921972830516429
Energy: 0.8651384276190152
Energy: 0.7832266086141142
Energy: 0.7629249946476366
Energy: 0.7921972830484371
Energy: 0.8651384276029864
Energy: 0.7954654142878683
Energy: 0.7813406339060425
Energy: 0.8536594439940222
Energy: 0.8052585619565411
Energy: 0.795465414281457
Energy: 0.7813406339060425
Energy: 0.8536594439972279
Energy: 0.7532462938534192
Energy: 0.780548347951502
Energy: 0.8581077804270384
Energy: 0.7902475240763661
Energy: 0.7532462938598307
Energy: 0.7805483479707364
Energy: 0.8581077804302442
Energy: 0.7932488818830787
Energy: 0.8049872674508584
Energy: 0.8429124821069547
Energy: 0.8123453352922582
Energy: 0.7932488818894903
Energy: 0.8049872674572698
Energy: 0.8765485622111827
Energy: 0.7529960178111446
Energy: 0.7901965419596823
Energy: 0.8281848614639076
Energy: 0.7838283684730879
Energy: 0.7529960178079389
Energy: 0.7901965419660938
Energy: 0.8281848614703191
Energy: 0.7903435819591762
Energy: 0.8026710591227897
Energy: 0.856891592685273
Energy: 0.796233353666387
Energy: 0.7903435819655293
Energy: 0.8026710591484356
Energy: 0.8568915926692444
Energy: 0.7771662025600526
Energy: 0.7828473780433269
Energy: 0.8404102762013232
Energy: 0.783161930455225
Energy: 0.777166202556847
Energy: 0.7828473780433269
Energy: 0.8404102761949118
Energy: 0.7847676501289235
Energy: 0.8462818287608167
Energy: 0.8393043217143246
Energy: 0.9047883471605872
Energy: 0.7847676501289235
Energy: 0.8462818287576109
Energy: 0.8393043217303532
Energy: 0.7787491621475846
Energy: 0.830143489073483
Energy: 0.8985918656527505
Energy: 0.7891427056607618
Energy: 0.7787491621572018
Energy: 0.8301434890831002
Energy: 0.8985918656559562
Energy: 0.89801054678403
Energy: 0.8449671239046923
Energy: 0.842139953112065
Energy: 0.9049785544611896
Energy: 0.89801054678403
Energy: 0.8449671239143095
Energy: 0.8421399531184766
Energy: 0.7786678565082582
Energy: 0.8914195777938687
Energy: 0.8627576230695764
Energy: 0.8507593765621392
Energy: 0.7786678565082582
Energy: 0.8914195777970744
Energy: 0.8627576230727823
Energy: 0.8979245049524487
Energy: 0.8449990413921891
Energy: 0.8265030527342174
Energy: 0.9048928296089651
Energy: 0.8979245049588601
Energy: 0.8449990413633959
Energy: 0.826503052740629
Energy: 0.7810047660110546
Energy: 0.8304124117532327
Energy: 0.9148898431155912
Energy: 0.7889440500423662
Energy: 0.7810047660078488
Energy: 0.8304124117500269
Energy: 0.9148898431155912
Energy: 0.7883866863945199
Energy: 0.8273741108447771
Energy: 0.8321837051360309
Energy: 0.9046849787334448
Energy: 0.7883866863913142
Energy: 0.8273741108576
Energy: 0.832183705123208
Energy: 0.7809889806217678
Energy: 0.7832080613147885
Energy: 0.8634713229093424
Energy: 0.7831209222926818
Energy: 0.7809889806377383
Energy: 0.7832080613083771
Energy: 0.8634713229221652
Energy: 0.781946177330482
Energy: 0.7755722150920027
Energy: 0.8325647389177208
Energy: 0.8470611416873816
Energy: 0.781946177330482
Energy: 0.775572215085591
Energy: 0.8325647389113093
Energy: 0.7986828727344626
Energy: 0.7833113969010601
Energy: 0.8314100064436477
Energy: 0.7855430645420205
Energy: 0.7986828727408157
Energy: 0.7833113968946486
Energy: 0.8314100064436477
Energy: 0.7975292832339482
Energy: 0.7845432922528879
Energy: 0.809901491077271
Energy: 0.8480122295439908
Energy: 0.7975292832435655
Energy: 0.7845432922496822
Energy: 0.8099014910676539
Energy: 0.7986000071020751
Energy: 0.7729651509380261
Energy: 0.8585622196537576
Energy: 0.7852265860338952
Energy: 0.7986000071084283
Energy: 0.7729651509412317
Energy: 0.8585622196505518
Energy: 0.7939533759861387
Energy: 0.7913656545594286
Energy: 0.8218121865516115
Energy: 0.8534984722643271
Energy: 0.7939533759893445
Energy: 0.7913656545786629
Energy: 0.8218121865644343
Energy: 0.7909651539894033
Energy: 0.7724657251887855
Energy: 0.8625186218376606
Energy: 0.7846133938328429
Energy: 0.7909651540022263
Energy: 0.7724657251984027
Energy: 0.8625186218536892
Energy: 0.7941143429857539
Energy: 0.8471091646115779
Energy: 0.8849577684623473
Energy: 0.8359298627796083
Energy: 0.7941143430209586
Energy: 0.847109164621195
Energy: 0.8849577684719645
Energy: 0.7900773970755173
Energy: 0.8137194137884436
Energy: 0.8409250212673562
Energy: 0.8163317612312309
Energy: 0.7900773970562829
Energy: 0.813719413782032
Energy: 0.8409250212673562
Energy: 0.8491571440768273
Energy: 0.8470681680069645
Energy: 0.8127183882433657
Energy: 0.8473563258427071
Energy: 0.8491571440896503
Energy: 0.847068168000553
Energy: 0.8127183882497772
Energy: 0.7899388631659793
Energy: 0.8222051034282853
Energy: 0.844707834214124
Energy: 0.8273800504711932
Energy: 0.7899388631531564
Energy: 0.8222051034250797
Energy: 0.844707834214124
Energy: 0.8034895641984272
Energy: 0.8443491228007074
Energy: 0.8316227792294717
Energy: 0.8473248398179134
Energy: 0.80348956418881
Energy: 0.8443491228039132
Energy: 0.8316227792326772
Energy: 0.7899135839296626
Energy: 0.7927607624538748
Energy: 0.829951182675142
Energy: 0.7927356164139014
Energy: 0.7899135839488387
Energy: 0.7927607624442576
Energy: 0.8299511826814954
Energy: 0.762646981299252
Energy: 0.8467155742481141
Energy: 0.8200872509093649
Energy: 0.8546951415228374
Energy: 0.7626469813088692
Energy: 0.8467155742449083
Energy: 0.8200872509093649

minimum gb energy = 0.7529960178079389 eV
minimum distance =  2.34210115646422 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.7081702089602743
Energy: 0.6797779932904058
Energy: 0.8863683198709956
Energy: 0.6797779932868249
Energy: 0.7081702089609969
Energy: 0.6797779932875146
Energy: 0.9799941140195382
Energy: 0.708170208963888
Energy: 0.6797779932904058
Energy: 0.9080089850126746
Energy: 0.6797779932932968
Energy: 0.7081702089617197
Energy: 0.6797779932853792
Energy: 0.9080089850170112
Energy: 0.7081702089602743
Energy: 0.6797779932861021
Energy: 0.8899394782608805
Energy: 0.6797779932853792
Energy: 0.7081702089588287
Energy: 0.679777993292574
Energy: 0.8315538124549036
Energy: 0.7081702089602743
Energy: 0.6797779932904058
Energy: 0.8870174539139889
Energy: 0.6797779932868249
Energy: 0.7081702089609969
Energy: 0.6797779932875146
Energy: 0.8788810509436392
Energy: 0.7081702089631653
Energy: 0.679777993289683
Energy: 0.9838593330461199
Energy: 0.679777993292574
Energy: 0.7081702089602743
Energy: 0.6797779932853792
Energy: 0.9838593330410605
Energy: 0.7081702089617197
Energy: 0.6797779932861021
Energy: 0.8752875189334116
Energy: 0.6797779932853792
Energy: 0.7081702089602743
Energy: 0.6797779932940197
Energy: 0.8222781839441307
Energy: 0.7081702089566603
Energy: 0.6797779932904058
Energy: 0.7953360070041863
Energy: 0.6797779932868249
Energy: 0.7081702089581059
Energy: 0.6797779932875146
Energy: 0.7702417710660091
Energy: 0.708170208963888
Energy: 0.6797779932904058
Energy: 0.9506705821224805
Energy: 0.6797779932932968
Energy: 0.7081702089602743
Energy: 0.6797779932853792
Energy: 0.9506705821210348
Energy: 0.7081702089602743
Energy: 0.6797779932861021
Energy: 0.7465949806268323
Energy: 0.6797779932853792
Energy: 0.7081702089624424
Energy: 0.679777993292574
Energy: 0.8092519968472633
Energy: 0.7081702089602743
Energy: 0.6797779932904058
Energy: 0.8204605275138963
Energy: 0.6797779932868249
Energy: 0.7081702089588287
Energy: 0.6797779932868249
Energy: 0.8204605275124508
Energy: 0.7081702089624424
Energy: 0.679777993289683
Energy: 0.8092519968479533
Energy: 0.679777993292574
Energy: 0.7081702089602743
Energy: 0.6797779932853792
Energy: 0.8092519968493989
Energy: 0.7081702089595514
Energy: 0.6797779932853792
Energy: 0.7592521846004461
Energy: 0.6797779932853792
Energy: 0.7081702089609969
Energy: 0.6797779932932968
Energy: 0.7592521846083965
Energy: 0.7081702089588287
Energy: 0.6797779932904058
Energy: 0.7592521846040599
Energy: 0.6797779932868249
Energy: 0.7081702089588287
Energy: 0.6797779932868249
Energy: 0.7592521846011688
Energy: 0.7081702089609969
Energy: 0.6797779932904058
Energy: 0.7592521846076737
Energy: 0.6797779932932968
Energy: 0.7081702089602743
Energy: 0.6797779932853792
Energy: 0.7592521846033371
Energy: 0.7081702089588287
Energy: 0.6797779932853792
Energy: 0.7592521846004461
Energy: 0.6797779932853792
Energy: 0.7081702089617197
Energy: 0.679777993292574
Energy: 0.7592521846055055
Energy: 0.7081702089617197
Energy: 0.6797779932904058
Energy: 0.7592521846026143
Energy: 0.6797779932868249
Energy: 0.7081702089559375
Energy: 0.6797779932875146
Energy: 0.7592521846004461
Energy: 0.7081702089624424
Energy: 0.679777993289683
Energy: 0.7592521846055055
Energy: 0.6797779932932968
Energy: 0.7081702089602743
Energy: 0.6797779932853792
Energy: 0.7592521846040599
Energy: 0.7081702089595514
Energy: 0.6797779932861021
Energy: 0.7592521845990005
Energy: 0.6797779932853792
Energy: 0.7081702089588287
Energy: 0.6797779932940197
Energy: 0.7592521846069511
Energy: 0.7081702089602743
Energy: 0.679777993289683
Energy: 0.7592521846040599
Energy: 0.6797779932868249
Energy: 0.7081702089581059
Energy: 0.6797779932868249
Energy: 0.7592521845997233
Energy: 0.7081702089595514
Energy: 0.6797779932904058
Energy: 0.7592521846069511
Energy: 0.6797779932932968
Energy: 0.7081702089588287
Energy: 0.6797779932853792
Energy: 0.7592521846026143

minimum gb energy = 0.6797779932853792 eV
minimum distance =  2.44253264197287 Angstroms
sigma value = 23