Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Al__MO_411898953661_003
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.061213478446007
cohesive_energy=2.700628357150368
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.009372907948144531
Energy: 0.2696685521777341
Energy: 0.2696685521788794
Energy: 0.009372907948144531
Energy: 0.2696685521800247
Energy: 0.2696685521788794
Energy: 0.009372907948144531
Energy: 0.2696685521800247
Energy: 0.2696685521788794
Energy: 0.009372907948144531
Energy: 0.2677321883119072
Energy: 0.011803657129592186
Energy: 0.2682898611212677
Energy: 0.2677321883107619
Energy: 0.011803657128446868
Energy: 0.2682898611212677
Energy: 0.2677321883119072
Energy: 0.011803657128446868
Energy: 0.2682898611212677
Energy: 0.2677321883119072
Energy: 0.5608807694828593
Energy: 0.16602573071090956
Energy: 0.4793165179080546
Energy: 0.5608802347787318
Energy: 0.4793165179080546
Energy: 0.16602573071090956
Energy: 0.5608800947513102
Energy: 0.39397780715996455
Energy: 0.16602573071090956
Energy: 0.5608805207683032
Energy: 0.2677321883119072
Energy: 0.2682898611212677
Energy: 0.011803657128446868
Energy: 0.2677321883119072
Energy: 0.2682898611212677
Energy: 0.011803657129592186
Energy: 0.2677321883119072
Energy: 0.2682898611212677
Energy: 0.011803657129592186
Energy: 0.2677321883119072
Energy: 0.009372907948144531
Energy: 0.2696685521788794
Energy: 0.2696685521788794
Energy: 0.009372907949289851
Energy: 0.2696685521788794
Energy: 0.2696685521788794
Energy: 0.009372907948144531
Energy: 0.2696685521788794
Energy: 0.2696685521788794
Energy: 0.009372907948144531
Energy: 0.2677321883107619
Energy: 0.011803657129592186
Energy: 0.2682898611212677
Energy: 0.2677321883107619
Energy: 0.011803657128446868
Energy: 0.2682898611212677
Energy: 0.2677321883119072
Energy: 0.011803657129592186
Energy: 0.268289861122413
Energy: 0.2677321883119072
Energy: 0.5608800077457319
Energy: 0.16602573071090956
Energy: 0.3491340994936528
Energy: 0.5608836810071899
Energy: 0.16602573071090956
Energy: 0.3939842814532714
Energy: 0.5608806049107152
Energy: 0.16602573071090956
Energy: 0.4793165179080546
Energy: 0.5608800246168203

minimum gb energy = 0.009372907948144531 eV
minimum distance =  2.5899294112179 Angstroms
sigma value = 3


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

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Energy: 0.7067291834994903
Energy: 0.7069168723014649
Energy: 0.5706071448057396
Energy: 0.7067291835031374
Energy: 0.7069168723034288
Energy: 0.6833928584106637
Energy: 0.7067291835031374
Energy: 0.7069168722997818
Energy: 0.570607144805459
Energy: 0.6173961247888563
Energy: 0.6550581382322318
Energy: 0.6916068385166075
Energy: 0.6173961248076273
Energy: 0.655058138233354
Energy: 0.6916068385174491
Energy: 0.6173961248053831
Energy: 0.6550581382297068
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Energy: 0.617396124793345
Energy: 0.6462641140228486
Energy: 0.7374588672361619
Energy: 0.6923141724775527
Energy: 0.7397493668706847
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Energy: 0.6923141724820414
Energy: 0.6462641059577016
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Energy: 0.7397493668715264
Energy: 0.7071550184248209
Energy: 0.706879821795093
Energy: 0.5521467913553118
Energy: 0.707155018429029
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Energy: 0.7068798217959346
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Energy: 0.7466836207373971
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Energy: 0.7466836207351527
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Energy: 0.7072715951723176
Energy: 0.5521897309469079
Energy: 0.7065766816604352
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Energy: 0.6503581566830866
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Energy: 0.552299029556895
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Energy: 0.5522908481011931
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Energy: 0.6484717325569542
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Energy: 0.6548646646545478
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Energy: 0.6550047023046034
Energy: 0.6915546927278464
Energy: 0.6500927846609394
Energy: 0.6466512210646609
Energy: 0.7267184971342727
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Energy: 0.6466512210626971
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Energy: 0.5521087287249953
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Energy: 0.7073498446694317
Energy: 0.7087721708779778
Energy: 0.6696064723693781
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Energy: 0.6731034356184978
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Energy: 0.6696064723696588
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Energy: 0.7087721708768557
Energy: 0.5319770093071073
Energy: 0.7384724909676625
Energy: 0.7395175843949016
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Energy: 0.7412217250215561
Energy: 0.7402685018686712
Energy: 0.5319770093040213
Energy: 0.7384724909699069
Energy: 0.7395175843934989
Energy: 0.5319770093051435
Energy: 0.7067882254165531
Energy: 0.5521094178505017
Energy: 0.7066070346883322
Energy: 0.7067882254145893
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Energy: 0.5521094178521849
Energy: 0.7066070346911376
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Energy: 0.6654568131757154
Energy: 0.6924658589790619
Energy: 0.6174889524760878
Energy: 0.6654568131762765
Energy: 0.692465858976537
Energy: 0.6174889526894802
Energy: 0.6654568131734709
Energy: 0.6924658589768174
Energy: 0.6174889522960547
Energy: 0.6654568131731905
Energy: 0.6511053418464151
Energy: 0.6916577407033658
Energy: 0.6502636286786286
Energy: 0.6511053418461344
Energy: 0.6916577407056101
Energy: 0.6500100178676774
Energy: 0.6511053418424875
Energy: 0.6916577407056101
Energy: 0.6502636286758231
Energy: 0.6511053418452929
Energy: 0.6576525715657136
Energy: 0.7067291834986488
Energy: 0.7069168723031483
Energy: 0.5522443405956097
Energy: 0.706729183500893
Energy: 0.7069168723031483
Energy: 0.6576525715710184
Energy: 0.7067291835000514
Energy: 0.706916872297818
Energy: 0.5522443405919627
Energy: 0.6173961248009198
Energy: 0.6550581382283042
Energy: 0.6916068385174491
Energy: 0.6173961247975532
Energy: 0.6550581382285846
Energy: 0.6916068385188517
Energy: 0.6173961247857704
Energy: 0.655058138230268
Energy: 0.6916068385166075
Energy: 0.6173961248034446
Energy: 0.7080559705841624
Energy: 0.737458867236723
Energy: 0.6923141724654891
Energy: 0.7174125080497197
Energy: 0.7374588672302705
Energy: 0.6923141724873462
Energy: 0.7080559705827596
Energy: 0.7374588672316733
Energy: 0.6923141724472538
Energy: 0.7174125080455116
Energy: 0.7071550184253819
Energy: 0.7068798217967761
Energy: 0.5521467913530673
Energy: 0.7071550184273457
Energy: 0.7068798217948123
Energy: 0.5521467913519451
Energy: 0.7071550184251013
Energy: 0.7068798217920325
Energy: 0.5521467913603616
Energy: 0.70715501842959

minimum gb energy = 0.5319770093040213 eV
minimum distance =  2.69435709660333 Angstroms
sigma value = 75


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

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Energy: 0.6719547559140995
Energy: 0.6719249297857685
Energy: 0.744752018490473
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minimum gb energy = 0.6714123243117761 eV
minimum distance =  2.53743945025655 Angstroms
sigma value = 105


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

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Energy: 0.803512064028529
Energy: 0.805720770785702
Energy: 0.7830706076080288
Energy: 0.8035120640282202
Energy: 0.8057207707883273
Energy: 0.7832876090095365
Energy: 0.8035120640277569
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Energy: 0.761371085061501
Energy: 0.7716931137410242
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Energy: 0.771729033792692
Energy: 0.7429755593034073
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Energy: 0.7716931137390306
Energy: 0.7178801912253867
Energy: 0.8131629357647172
Energy: 0.7510459847967339
Energy: 0.7944519111820136
Energy: 0.7760254940734422
Energy: 0.751045984798896
Energy: 0.7944519111841758
Energy: 0.8131629357574588
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Energy: 0.77602549407267
Energy: 0.7799627356564497
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Energy: 0.749470148016305
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Energy: 0.7760244899100528
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Energy: 0.7178576463381565
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Energy: 0.8707709074994048
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Energy: 0.7912144605666094
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Energy: 0.8244205437769097
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Energy: 0.822885039102594
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Energy: 0.824666171030548
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Energy: 0.7502853872366729
Energy: 0.8246661710317694
Energy: 0.8228850391012041
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Energy: 0.8883718584312832
Energy: 0.8404749782930494
Energy: 0.7495918771505663
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Energy: 0.7198984343792149
Energy: 0.8861933931077906
Energy: 0.7912170760610838
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Energy: 0.7735880081107814
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Energy: 0.7912170760598484
Energy: 0.7913719319690904
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Energy: 0.7912240467440388
Energy: 0.7905457884049352
Energy: 0.8383050803958899
Energy: 0.7180362788775647
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Energy: 0.7180362788809621
Energy: 0.7905457884018464
Energy: 0.7094377038371633
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Energy: 0.7696819646849837
Energy: 0.7094377038394799
Energy: 0.731471240902886
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Energy: 0.7094377038367
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Energy: 0.7696819646828216
Energy: 0.7094377038365456
Energy: 0.7890786768167931
Energy: 0.7806697056423881
Energy: 0.8010368702104391
Energy: 0.7890786768174108
Energy: 0.7610999001942352
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Energy: 0.7806697056433147
Energy: 0.7501029841285202
Energy: 0.7890786768191096
Energy: 0.7810181093440293
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Energy: 0.7470272831978911
Energy: 0.8437587593660479
Energy: 0.7253703076440297
Energy: 0.7470272831974278
Energy: 0.8437587593648125
Energy: 0.7253703076441841
Energy: 0.74702728319959
Energy: 0.8437587593626503
Energy: 0.7253703076438752
Energy: 0.747027283201752
Energy: 0.7162516989817768
Energy: 0.7912566391412631
Energy: 0.7916847344438351
Energy: 0.7162516989806959
Energy: 0.7912566391424845
Energy: 0.7916847344429084
Energy: 0.7162516989816223
Energy: 0.7912566391398731
Energy: 0.7916847344444528
Energy: 0.7162516989822402
Energy: 0.7179149057240284
Energy: 0.7713766605847837
Energy: 0.7784817738309824
Energy: 0.7179149057244916
Energy: 0.7714909887742182
Energy: 0.7784817738271216
Energy: 0.717914905723565
Energy: 0.7713766605871002
Energy: 0.7784817738288203
Energy: 0.7179149057244916
Energy: 0.8615068050509896
Energy: 0.7717209825962388
Energy: 0.7556620056419261
Energy: 0.8615068050499087
Energy: 0.7717691951928335
Energy: 0.7556620056453236
Energy: 0.8615068050497542
Energy: 0.7717209825980921
Energy: 0.7556620056457869
Energy: 0.861506805050372
Energy: 0.7499492706771306
Energy: 0.7501591366363748
Energy: 0.8242078071226867
Energy: 0.749949270675895
Energy: 0.7501591366366837
Energy: 0.8242078071217601
Energy: 0.7499492706777483
Energy: 0.750159136637147
Energy: 0.8242078071209878
Energy: 0.7499492706774393
Energy: 0.771215342401205
Energy: 0.8759092637153547
Energy: 0.7779076269617498
Energy: 0.7712153424013595
Energy: 0.8806970293461124
Energy: 0.7779076269623675
Energy: 0.7712153424018227
Energy: 0.8759092637153547
Energy: 0.7779076269605283
Energy: 0.7712153424010505
Energy: 0.7926682854929891
Energy: 0.7823160361451477
Energy: 0.8045556251124415
Energy: 0.7926682854940701
Energy: 0.782692777883249
Energy: 0.8045556251118238
Energy: 0.7926682854940701
Energy: 0.7823160361439122
Energy: 0.8045556251149125
Energy: 0.7926682854929891
Energy: 0.7613529080511213
Energy: 0.771669035155089
Energy: 0.7611983132736735
Energy: 0.7613529080492681
Energy: 0.7716878287745728
Energy: 0.7611983132738279
Energy: 0.7613529080497314
Energy: 0.7716690351563245
Energy: 0.7611983132744456
Energy: 0.7613529080508125

minimum gb energy = 0.7094142728121241 eV
minimum distance =  2.65154745645806 Angstroms
sigma value = 165


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

Energy: 0.7946491376752204
Energy: 0.8075621894043671
Energy: 0.8076029438170548
Energy: 0.7946491376746901
Energy: 0.8075621894027765
Energy: 0.8076029438159943
Energy: 0.7946491376746901
Energy: 0.8075621894038368
Energy: 0.8076029438175849
Energy: 0.7946491376746901
Energy: 0.8063858577647711
Energy: 0.7886709588692677
Energy: 0.8324812466008112
Energy: 0.8063858577663617
Energy: 0.7886709588682075
Energy: 0.8324812466050527
Energy: 0.8063858577653014
Energy: 0.7886709588692677
Energy: 0.8324812466024019
Energy: 0.8063858577663617
Energy: 0.7991628136596951
Energy: 0.816124443769604
Energy: 0.760115917085807
Energy: 0.7991628136570443
Energy: 0.8161244437648565
Energy: 0.7601159171011822
Energy: 0.7991628136602255
Energy: 0.8161244437356966
Energy: 0.7601159173369916
Energy: 0.799162813659165
Energy: 0.8242046975111299
Energy: 0.8193387015037855
Energy: 0.7921903374829792
Energy: 0.8242046975105999
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Energy: 0.7921903374803282
Energy: 0.8242046975111299
Energy: 0.8193387015032553
Energy: 0.7921903374840396
Energy: 0.8242046975105999
Energy: 0.8106105248879334
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Energy: 0.760203335036
Energy: 0.8106096575496863
Energy: 0.8581199954143557
Energy: 0.7602033334668375
Energy: 0.8106099599288829
Energy: 0.8581199954138254
Energy: 0.7602033331515254
Energy: 0.8106097763716246
Energy: 0.7919993473677064
Energy: 0.841737549769823
Energy: 0.8194862920107303
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Energy: 0.8417375497677021
Energy: 0.8194862920102001
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Energy: 0.8200026258658674
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Energy: 0.8324297446509445
Energy: 0.8200026258663976
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Energy: 0.8064416463126394
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Energy: 0.8064416463158204
Energy: 0.8233021787311093
Energy: 0.8063050889146103
Energy: 0.8064416463131696
Energy: 0.8233021787300489
Energy: 0.807610746296858
Energy: 0.8198209072083295
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Energy: 0.8076107462952914
Energy: 0.8198209072104502
Energy: 0.832405806908652
Energy: 0.807610746296858
Energy: 0.8198209072083295
Energy: 0.8324057561558987
Energy: 0.8076107462952914
Energy: 0.792097813717287
Energy: 0.8195586602565416
Energy: 0.8418079587408832
Energy: 0.792097813717287
Energy: 0.8195586602570716
Energy: 0.841807958742474
Energy: 0.7920978137183474
Energy: 0.8195586602565416
Energy: 0.8418079587414135
Energy: 0.792097813717287
Energy: 0.8106131005485628
Energy: 0.7601365294211689
Energy: 0.8580986029594831
Energy: 0.810613435935334
Energy: 0.7601365296654853
Energy: 0.8580986029594831
Energy: 0.8106130965575647
Energy: 0.7601365295663658
Energy: 0.8580986029594831
Energy: 0.8106133053205421
Energy: 0.8240826994401246
Energy: 0.7921764158598918
Energy: 0.8191585359316057
Energy: 0.8240826994427755
Energy: 0.7921764158614825
Energy: 0.8191585359310755
Energy: 0.8240826994406548
Energy: 0.7921764158593859
Energy: 0.8191585359321358
Energy: 0.8240826994422452
Energy: 0.7990987567470521
Energy: 0.7601250836670824
Energy: 0.8160453050003525
Energy: 0.7990987567449315
Energy: 0.7601250836766257
Energy: 0.816035163847699
Energy: 0.799098756743871
Energy: 0.7601250836670824
Energy: 0.8160455203192638
Energy: 0.7990987567449315
Energy: 0.806444112594381
Energy: 0.8325038332422584
Energy: 0.7922506005318917
Energy: 0.8064441125917302
Energy: 0.8325038332454154
Energy: 0.792250600530301
Energy: 0.8064441125938508
Energy: 0.8325038332443792
Energy: 0.7922506005324218
Energy: 0.8064441125917302
Energy: 0.7946491376746901
Energy: 0.8075621894070178
Energy: 0.8076029438170548
Energy: 0.7946491376736541
Energy: 0.8075621894038368
Energy: 0.8076029438159943
Energy: 0.7946491376746901
Energy: 0.8075621894048972
Energy: 0.8076029438175849
Energy: 0.7946491376762809

minimum gb energy = 0.760115917085807 eV
minimum distance =  2.62629237968035 Angstroms
sigma value = 41


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

Energy: 0.7092367571326851
Energy: 0.7382465532055325
Energy: 0.7396835571874392
Energy: 0.7466856133107967
Energy: 0.7382465531987442
Energy: 0.7396835571888791
Energy: 0.709236757125897
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Energy: 0.7466856133107967
Energy: 0.7475044212549729
Energy: 0.6532038494794588
Energy: 0.7733207501718419
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Energy: 0.7733207501722532
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Energy: 0.6706068106998851
Energy: 0.6519765779295037
Energy: 0.7012426986632532
Energy: 0.7206211255997661
Energy: 0.6519765779317664
Energy: 0.70138758738379
Energy: 0.7099321978906817
Energy: 0.6519765779303265
Energy: 0.7012426986700414
Energy: 0.6981260007765405
Energy: 0.7046579796242735
Energy: 0.7055946747138696
Energy: 0.6857407352263489
Energy: 0.7046579796250962
Energy: 0.7055946747124296
Energy: 0.6859820463689211
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Energy: 0.7055946747116068
Energy: 0.6857407352265545
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Energy: 0.7178840820427911
Energy: 0.7902284171945587
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Energy: 0.790228417190239
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Energy: 0.7178840820466995
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Energy: 0.7505917641047487
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Energy: 0.7672381443848202
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Energy: 0.6520203630478943
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Energy: 0.6520203630474829
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Energy: 0.7278871526810097
Energy: 0.7504959236183402
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Energy: 0.7111115850174159
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Energy: 0.7332104895365097
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Energy: 0.797821534370541
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Energy: 0.7179371212993709
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Energy: 0.734729665207538
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Energy: 0.7347296652050694
Energy: 0.7179295507952884
Energy: 0.723157558433026
Energy: 0.6859800684266839
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Energy: 0.7231575584350831
Energy: 0.6859800684289467
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Energy: 0.6993274677091296
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Energy: 0.7029232256558035
Energy: 0.6993274677101582
Energy: 0.666526549836618
Energy: 0.7029232256514836
Energy: 0.7031292089251711
Energy: 0.7063636205449505
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Energy: 0.706363620541865
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Energy: 0.750546800908331
Energy: 0.8957560477900345
Energy: 0.6546535218507786
Energy: 0.7505468009130623
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Energy: 0.6546535218478987
Energy: 0.7505468009142965
Energy: 0.8957560477937371
Energy: 0.6546535218516013
Energy: 0.750546800911828
Energy: 0.7160095488089332
Energy: 0.6876845651895731
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Energy: 0.6695380136690036
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Energy: 0.6876845651957255
Energy: 0.7166756466587126
Energy: 0.6695380136683864
Energy: 0.7780646275720217
Energy: 0.6518990671213652
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Energy: 0.651899067121571
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Energy: 0.7329148710586904
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Energy: 0.6854921127897918
Energy: 0.6966272603222537
Energy: 0.7127821683263528
Energy: 0.6854921127885576
Energy: 0.7671542596246618
Energy: 0.6545459711940812
Energy: 0.7447472133145252
Energy: 0.7671542596197436
Energy: 0.6545459711971667
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Energy: 0.7671542596221934
Energy: 0.6545459711916127
Energy: 0.7447472133099996
Energy: 0.7671542596242504
Energy: 0.7393166931710258
Energy: 0.7419840770974623
Energy: 0.6879647035215216
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Energy: 0.7419840770991079
Energy: 0.6708053457621934
Energy: 0.7393166931747285
Energy: 0.7419840771019878
Energy: 0.6879647033706088
Energy: 0.7393166931726715
Energy: 0.6526804752585339
Energy: 0.7245117338098629
Energy: 0.7033761721511772
Energy: 0.6526804752572997
Energy: 0.731081153221214
Energy: 0.6666516242833896
Energy: 0.652680475259151
Energy: 0.7245117356690273
Energy: 0.7033761721530285
Energy: 0.652680475259151
Energy: 0.655911323282422
Energy: 0.706689933778135
Energy: 0.7039677859734315
Energy: 0.6559113232776907
Energy: 0.7067310580001661
Energy: 0.7038738032575281
Energy: 0.6559113232787194
Energy: 0.7066899337853346
Energy: 0.7039677859664563
Energy: 0.6559113232838619
Energy: 0.6701992155726954
Energy: 0.6859448021215921
Energy: 0.7070429553962205
Energy: 0.670199215573724
Energy: 0.6863482678802004
Energy: 0.7070429553921065
Energy: 0.6701992155743409
Energy: 0.6859448021265291
Energy: 0.7070429553953976
Energy: 0.6701992155735181
Energy: 0.7888301789540473
Energy: 0.6861372958572752
Energy: 0.6960531005651106
Energy: 0.78883017895775
Energy: 0.6861356381281202
Energy: 0.6960531005681962
Energy: 0.7888301789546643
Energy: 0.686137295854601
Energy: 0.6960531005659334
Energy: 0.7888301789561043
Energy: 0.7136727204139912
Energy: 0.7168479775412582
Energy: 0.687155244109815
Energy: 0.7136727204107
Energy: 0.7168479775369384
Energy: 0.6871552441044668
Energy: 0.7136727204104942
Energy: 0.7320666046354999
Energy: 0.6871552441011942
Energy: 0.7136727204156368

minimum gb energy = 0.6518990671213652 eV
minimum distance =  2.61505029647342 Angstroms
sigma value = 185


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

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Energy: 0.358200478363682
Energy: 0.36002781912923504
Energy: 0.4575774486177781
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Energy: 0.42109552212211715
Energy: 0.3599281970900963
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Energy: 0.4210955221194312
Energy: 0.3599281970893638
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Energy: 0.4018318137910635
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Energy: 0.35910802598581015
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Energy: 0.3107255778614332
Energy: 0.35910802598678687
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Energy: 0.3778559293144415
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Energy: 0.4169473345261748
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Energy: 0.4468187933912959
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Energy: 0.35910802598678687
Energy: 0.44681879339031916
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Energy: 0.3591080259872752
Energy: 0.4468187933908075
Energy: 0.31072557786167737
Energy: 0.35910802598483343
Energy: 0.4468187933912959
Energy: 0.3778559293132206
Energy: 0.39737169371810405
Energy: 0.3597743748135847
Energy: 0.3778559293127322
Energy: 0.39737169371688313
Energy: 0.3597743748130964
Energy: 0.377855929313709
Energy: 0.39737169371663894
Energy: 0.35977437481065455
Energy: 0.3778559293115113
Energy: 0.3347960580362446
Energy: 0.31079114690739673
Energy: 0.3589525547070975
Energy: 0.3347960580328483
Energy: 0.3107911469066642
Energy: 0.3589525547044115
Energy: 0.33479605803455753
Energy: 0.31079114690568754
Energy: 0.3589525547061208
Energy: 0.33479605803746554
Energy: 0.40579516003259747
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Energy: 0.35835966155998156
Energy: 0.4057951600318649
Energy: 0.4211813328092582
Energy: 0.35835966156169086
Energy: 0.40579516003015553
Energy: 0.42118133280535136
Energy: 0.35835966156169086
Energy: 0.40579516003015553

minimum gb energy = 0.31070600944215465 eV
minimum distance =  2.6754826781332 Angstroms
sigma value = 33


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

Energy: 0.6452375718566309
Energy: 0.6588970726221929
Energy: 0.6588866531815453
Energy: 0.6334087368017653
Energy: 0.6588970726264823
Energy: 0.6588866531792543
Energy: 0.6452375718534137
Energy: 0.6588970726236553
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Energy: 0.6334087368022772
Energy: 0.7031368473164561
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Energy: 0.6311549442602914
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Energy: 0.6211004073629426
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Energy: 0.6590140509319572
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Energy: 0.6590140509324934
Energy: 0.6569849498990724
Energy: 0.6593982254872904
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Energy: 0.6403646295552603
Energy: 0.6582996556106557
Energy: 0.6545668611531001
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Energy: 0.6582996556086328
Energy: 0.6545668611555129
Energy: 0.6614390072684042
Energy: 0.6583786433747837
Energy: 0.6610945159331865
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Energy: 0.6610945159330647
Energy: 0.6614390072710851
Energy: 0.6583786433809499
Energy: 0.6610945159319923
Energy: 0.661439007270549
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Energy: 0.6605262125796665
Energy: 0.6604007490707555
Energy: 0.6606496767415536
Energy: 0.6605262125800808
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Energy: 0.6606496767439665
Energy: 0.6605262125765955
Energy: 0.6604007490671483
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Energy: 0.6408372182306039
Energy: 0.6198114645053604
Energy: 0.6348934507314185
Energy: 0.6408372182314083
Energy: 0.619811464506701

minimum gb energy = 0.6113254956163457 eV
minimum distance =  2.61532224404617 Angstroms
sigma value = 219


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

Energy: 0.86890508852128
Energy: 0.9207770659312055
Energy: 0.9207306500639768
Energy: 0.86890508852128
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Energy: 0.8862444497312294
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Energy: 0.9216250827672524
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Energy: 0.8762810525351751
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Energy: 0.9210748123230741
Energy: 0.8689710007766713
Energy: 0.8765105792949273
Energy: 0.8692650029639499
Energy: 0.8970505341481463
Energy: 0.873468407233706
Energy: 0.8692650029648372
Energy: 0.8970505341481463
Energy: 0.8734684072328187
Energy: 0.8692650029639499
Energy: 0.8970505341481463
Energy: 0.8734684072319316
Energy: 0.8692650029648372
Energy: 0.8685631984599934
Energy: 0.9202881634265
Energy: 0.9216138497845651
Energy: 0.8685631984599934
Energy: 0.9202881634265
Energy: 0.9216138497836778
Energy: 0.8685631984599934
Energy: 0.9202881634265
Energy: 0.9216138497836778
Energy: 0.8685631984599934
Energy: 0.8987340025273673
Energy: 0.8977917366502465
Energy: 0.9233103300151687
Energy: 0.8987340025273673
Energy: 0.8977917366502465
Energy: 0.9233103300151687
Energy: 0.8987340025273673
Energy: 0.8977917366502465
Energy: 0.9233103300151687
Energy: 0.8987340025273673

minimum gb energy = 0.8685631984599934 eV
minimum distance =  2.59277116601382 Angstroms
sigma value = 15


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

Energy: 1.0328235968491573
Energy: 1.0050297928362433
Energy: 1.004848530134018
Energy: 1.0328235968524297
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Energy: 1.0294948647272235
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Energy: 1.0294948647288598
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Energy: 1.009889008767006
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Energy: 1.0654239019205614
Energy: 1.0362506530596582
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Energy: 1.0654239019189253
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Energy: 1.0362506530596582
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Energy: 1.0403034234255866
Energy: 1.0158993176430329
Energy: 1.0145769322963518
Energy: 1.0403034234223143
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Energy: 1.0061270881366893
Energy: 0.9914871128119281
Energy: 0.9993477312916138
Energy: 1.0061270881366893
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Energy: 1.0061270881366893
Energy: 0.9889520130029807
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Energy: 1.0177332989601937
Energy: 0.988952013004617
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Energy: 1.0177332989601937
Energy: 0.988952013004617
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Energy: 1.0177332989601937
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Energy: 1.0035687781648548
Energy: 1.0050752250894646
Energy: 1.0327590120961063
Energy: 1.0035687781648548
Energy: 1.005075225086192
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Energy: 1.0074543057804888
Energy: 1.0143509134460702
Energy: 0.9972595746444064
Energy: 1.0039658345604574
Energy: 0.985520008330019
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minimum gb energy = 0.9850331781408187 eV
minimum distance =  2.58098790249707 Angstroms
sigma value = 293


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

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Energy: 0.9916609391926564
Energy: 1.057748597844107
Energy: 1.0089572368231765
Energy: 0.9916609391920553
Energy: 1.0577485978439067
Energy: 1.008957236823978
Energy: 0.9916609391924562
Energy: 1.0577485978439067
Energy: 1.0133491480391237
Energy: 1.0441371019306425
Energy: 0.9862070019216665
Energy: 1.013349148039324
Energy: 1.0441371019304422
Energy: 0.9862070019212658
Energy: 1.013349148039324
Energy: 1.044137101930242
Energy: 0.9862070019214663
Energy: 1.0133491480391237
Energy: 1.008863643452792
Energy: 0.9867112056914575
Energy: 0.9856945167398729
Energy: 1.0088636434535936
Energy: 0.9867112056912571
Energy: 0.9856945167398729
Energy: 1.0088636434523914
Energy: 0.9867112056912571
Energy: 0.9856945167394722
Energy: 1.0088636434531928
Energy: 1.039037316212651
Energy: 1.0360537829627554
Energy: 0.9878166049005545
Energy: 1.0390373162130517
Energy: 1.0360537829631564
Energy: 0.9878166049001537
Energy: 1.0390373162122502
Energy: 1.0360537829615533
Energy: 0.9878166049005545
Energy: 1.0390373162130517
Energy: 1.0090319602330282
Energy: 1.0181901447831652
Energy: 1.0182089930855094
Energy: 1.0090319602326276
Energy: 1.018190144783566
Energy: 1.0182089930851088
Energy: 1.009031960232427
Energy: 1.018190144784167
Energy: 1.0182089930851088
Energy: 1.009031960232828
Energy: 1.0387828316922605
Energy: 0.9878239541912124
Energy: 1.037101390434707
Energy: 1.0387828316924608
Energy: 0.9878239541912124
Energy: 1.0371013904395163
Energy: 1.0387828316922605
Energy: 0.9878239541914127
Energy: 1.0371013904463295
Energy: 1.038782831692661
Energy: 1.0088893485584678
Energy: 0.9857001211704958
Energy: 0.9867366586927112
Energy: 1.0088893485584678
Energy: 0.9857001211704958
Energy: 0.9867366586921099
Energy: 1.0088893485582673
Energy: 0.9857001211702955
Energy: 0.9867366586929116
Energy: 1.0088893485584678
Energy: 1.0133003234449411
Energy: 0.9861098019421617
Energy: 1.0450958318033283
Energy: 1.0133003234449411
Energy: 0.9861098019425624
Energy: 1.0450958318033283
Energy: 1.0133003234451416
Energy: 0.9861098019421617
Energy: 1.0450958318037291
Energy: 1.0133003234447409
Energy: 1.0577820609145778
Energy: 0.9916428100251163
Energy: 1.0090646257638407
Energy: 1.0577820609149784
Energy: 0.9916428100253168
Energy: 1.0090646257638407
Energy: 1.0577820609145778
Energy: 0.9916428100249159
Energy: 1.0090646257636404
Energy: 1.0577820609145778
Energy: 0.9859542839936251
Energy: 1.063872397123139
Energy: 0.9958687967690717
Energy: 0.9859542839934247
Energy: 1.0638723971229385
Energy: 0.9958687967698733
Energy: 0.9859542839942264
Energy: 1.063872397123139
Energy: 0.9958687967692722
Energy: 0.9859542839936251
Energy: 0.9870775439484558
Energy: 1.0162298737651376
Energy: 1.0366404349042306
Energy: 0.9870775439492573
Energy: 1.016229873765338
Energy: 1.0366404349052327
Energy: 0.9870775439488565
Energy: 1.016229873765338
Energy: 1.0366404349042306
Energy: 0.9870775439488565
Energy: 1.0561037359585588
Energy: 1.0203117791469354
Energy: 1.0201170281424936
Energy: 1.0561037359591596
Energy: 1.0203117791469354
Energy: 1.0201170281414917
Energy: 1.056103735958358
Energy: 1.0203117791471357
Energy: 1.0201170281422933
Energy: 1.0561037359585588
Energy: 0.9868628194767336
Energy: 1.036691353972301
Energy: 1.0162102557508634
Energy: 0.9868628194761325
Energy: 1.0366913539721003
Energy: 1.0162102557502621
Energy: 0.9868628194767336
Energy: 1.0366913539727016
Energy: 1.016210255751264
Energy: 0.9868628194763329
Energy: 0.9860000610453301
Energy: 0.9981023315011348
Energy: 1.0637862562668263
Energy: 0.9860000610477346
Energy: 0.998102331500734
Energy: 1.0637862562664253
Energy: 0.9860000610453301
Energy: 0.9981023315009343
Energy: 1.0637862562662252
Energy: 0.9860000610481354
Energy: 1.057748597844107
Energy: 1.008957236823377
Energy: 0.9916609391920553
Energy: 1.0577485978437065
Energy: 1.0089572368237776
Energy: 0.9916609391924562
Energy: 1.057748597844107
Energy: 1.008957236823377
Energy: 0.9916609391920553
Energy: 1.057748597843506
Energy: 1.0133491480391237
Energy: 1.044137101930843
Energy: 0.9862070019214663
Energy: 1.013349148039324
Energy: 1.0441371019304422
Energy: 0.9862070019216665
Energy: 1.0133491480391237
Energy: 1.044137101930843
Energy: 0.9862070019214663
Energy: 1.013349148039324

minimum gb energy = 0.9856945167392718 eV
minimum distance =  2.52438685917492 Angstroms
sigma value = 293


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

Energy: 1.011567120827184
Energy: 1.0134371348936015
Energy: 1.0133970554507816
Energy: 1.0115671208289947
Energy: 1.0134371348936015
Energy: 1.0133970554511442
Energy: 1.0115671208279082
Energy: 1.0134371348950504
Energy: 1.0133970554511442
Energy: 1.011567120827184
Energy: 1.0118462261444354
Energy: 1.0113094548946324
Energy: 1.012406312421313
Energy: 1.0118462261444354
Energy: 1.0113094548957193
Energy: 1.0124063124176912
Energy: 1.0118462261451597
Energy: 1.0113094548949948
Energy: 1.0124063124234863
Energy: 1.0118462261447978
Energy: 1.0129900229130382
Energy: 1.0129886617553305
Energy: 0.9891240389773306
Energy: 1.0129900229130382
Energy: 1.0129886617520707
Energy: 0.9891240389715522
Energy: 1.0129900229101405
Energy: 1.012988661753882
Energy: 0.9891240389624976
Energy: 1.0129900229105027
Energy: 0.9886639502473492
Energy: 1.0130031401329922
Energy: 1.0130350151163037
Energy: 0.9886639502379325
Energy: 1.0130031401340784
Energy: 1.0130350151170282
Energy: 0.9886639502324999
Energy: 1.0130031401351651
Energy: 1.0130350151155794
Energy: 0.9886639502372082
Energy: 1.012419346898908
Energy: 1.0113024884728319
Energy: 1.0118456918757184
Energy: 1.0124193469061518
Energy: 1.01130248847247
Energy: 1.0118456918739076
Energy: 1.0124193469094114
Energy: 1.0113024884731943
Energy: 1.01184569187101
Energy: 1.0124193468974758
Energy: 1.0134371348939635
Energy: 1.0133970554518683
Energy: 1.0115671208286328
Energy: 1.0134371348921527
Energy: 1.0133970554515062
Energy: 1.0115671208289947
Energy: 1.0134371348946878
Energy: 1.0133970554511442
Energy: 1.0115671208268218
Energy: 1.0134371348936015
Energy: 1.011309454895357
Energy: 1.012406312419502
Energy: 1.0118462261444354
Energy: 1.0113094548939083
Energy: 1.0124063124180533
Energy: 1.011846226144073
Energy: 1.0113094548924595
Energy: 1.0124063124176912
Energy: 1.0118462261433487
Energy: 1.0113094548939083
Energy: 1.0129886617531576
Energy: 0.9891240389766062
Energy: 1.0129900229141249
Energy: 1.012988661753882
Energy: 0.9891240389795036
Energy: 1.012990022910865
Energy: 1.012988661754244
Energy: 0.9891240389791416
Energy: 1.0129900229123137
Energy: 1.0129886617535195
Energy: 1.0130031401344406
Energy: 1.0130350151199254
Energy: 0.9886639502426408
Energy: 1.0130031401351651
Energy: 1.0130350151155794
Energy: 0.9886639502448139
Energy: 1.0130031401326296
Energy: 1.0130350151163037
Energy: 0.9886639502314132
Energy: 1.013003140135527
Energy: 1.011302488471021
Energy: 1.011845691871372
Energy: 1.012419346898184
Energy: 1.0113024884731943
Energy: 1.011845691873183
Energy: 1.0124193468974758
Energy: 1.011302488470659
Energy: 1.0118456918724588
Energy: 1.012419346898908
Energy: 1.0113024884713833
Energy: 1.0133970554518683
Energy: 1.0115671208304438
Energy: 1.0134371348954123
Energy: 1.0133970554515062
Energy: 1.011567120827546
Energy: 1.0134371348932394
Energy: 1.0133970554522305
Energy: 1.011567120827546
Energy: 1.0134371348939635
Energy: 1.0133970554518683
Energy: 1.0124063124227618
Energy: 1.011846226144073
Energy: 1.0113094548931838
Energy: 1.0124063124184155
Energy: 1.0118462261433487
Energy: 1.0113094548928216
Energy: 1.012406312421313
Energy: 1.011846226141538
Energy: 1.0113094548924595
Energy: 1.0124063124216753
Energy: 0.9891240389795036
Energy: 1.0129900229119515
Energy: 1.012988661753882
Energy: 0.9891240389780549
Energy: 1.012990022910865
Energy: 1.012988661753882
Energy: 0.9891240389805903
Energy: 1.0129900229105027
Energy: 1.012988661753882
Energy: 0.9891240389791416
Energy: 1.0130350151173901
Energy: 0.9886639502303267
Energy: 1.0130031401362516
Energy: 1.013035015115217
Energy: 0.9886639502477115
Energy: 1.013003140135527
Energy: 1.0130350151173901
Energy: 0.9886639502426408
Energy: 1.0130031401322677
Energy: 1.0130350151159413
Energy: 1.0118456918739076
Energy: 1.012419346898908
Energy: 1.011302488470659
Energy: 1.0118456918739076
Energy: 1.0124193468978215
Energy: 1.011302488470659
Energy: 1.011845691873545
Energy: 1.0124193468996325
Energy: 1.0113024884739188
Energy: 1.011845691872821
Energy: 1.0115671208286328
Energy: 1.013437134892877
Energy: 1.0133970554518683
Energy: 1.0115671208282704
Energy: 1.0134371348932394
Energy: 1.0133970554515062
Energy: 1.0115671208279082
Energy: 1.0134371348936015
Energy: 1.0133970554515062
Energy: 1.011567120829357
Energy: 1.0118462261447978
Energy: 1.011309454893546
Energy: 1.0124063124220375
Energy: 1.0118462261480572
Energy: 1.0113094548924595
Energy: 1.0124063124227618
Energy: 1.011846226145884
Energy: 1.0113094548920973
Energy: 1.0124063124184155
Energy: 1.0118462261422623
Energy: 1.0129900229123137
Energy: 1.012988661754244
Energy: 0.9891240389776926
Energy: 1.0129900229119515
Energy: 1.0129886617546062
Energy: 0.9891240389809524
Energy: 1.0129900229094164
Energy: 1.0129886617549684
Energy: 0.9891240389809524
Energy: 1.0129900229115893
Energy: 0.9886639502553171
Energy: 1.0130031401326296
Energy: 1.0130350151155794
Energy: 0.9886639502386569
Energy: 1.0130031401326296
Energy: 1.0130350151173901
Energy: 0.988663950252782
Energy: 1.013003140135527
Energy: 1.0130350151159413
Energy: 0.9886639502390191
Energy: 1.01241934690253
Energy: 1.0113024884721078
Energy: 1.0118456918749938
Energy: 1.0124193469032545
Energy: 1.0113024884713833
Energy: 1.0118456918720964
Energy: 1.0124193469036165
Energy: 1.0113024884731943
Energy: 1.0118456918720964
Energy: 1.0124193469021678
Energy: 1.0134371348939635
Energy: 1.0133970554518683
Energy: 1.011567120827546
Energy: 1.0134371348936015
Energy: 1.0133970554515062
Energy: 1.0115671208282704
Energy: 1.013437134892877
Energy: 1.0133970554525926
Energy: 1.0115671208260972
Energy: 1.0134371348950504
Energy: 1.0113094548942705
Energy: 1.0124063124209508
Energy: 1.0118462261429866
Energy: 1.0113094548942705
Energy: 1.0124063124202265
Energy: 1.0118462261433487
Energy: 1.0113094548942705
Energy: 1.012406312421313
Energy: 1.0118462261426244
Energy: 1.0113094548939083

minimum gb energy = 0.9886639502303267 eV
minimum distance =  2.61990813794995 Angstroms
sigma value = 15


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

Energy: 0.9721214600334723
Energy: 0.9878034245439836
Energy: 0.9878327752531082
Energy: 0.9721214600328155
Energy: 0.9878034245462822
Energy: 0.987832775253944
Energy: 0.9721214600334723
Energy: 0.9878034245451478
Energy: 0.9878327752527799
Energy: 0.9721214600326366
Energy: 1.0115217467610793
Energy: 0.9602239488871391
Energy: 0.9589089122724941
Energy: 1.0115217467614077
Energy: 0.9602239488866318
Energy: 0.9589089122718374
Energy: 1.0115217467612287
Energy: 0.9602239488872885
Energy: 0.9589089122721658
Energy: 1.0115217467612287
Energy: 0.9566773968392097
Energy: 0.9609185108663848
Energy: 1.0877327361303488
Energy: 0.9566773968393889
Energy: 0.9609185108650714
Energy: 1.0877327361303488
Energy: 0.9566773968393889
Energy: 0.9609185108660565
Energy: 1.087732736130677
Energy: 0.9566773968390605
Energy: 0.955823167322929
Energy: 0.960994181767054
Energy: 0.956653768429332
Energy: 0.955823167323914
Energy: 0.9609941817662182
Energy: 0.9566537684291829
Energy: 0.9558231673222722
Energy: 0.9609941817663972
Energy: 0.9566537684295112
Energy: 0.955823167323108
Energy: 0.9589444358902877
Energy: 0.9587682610479081
Energy: 1.0318522676393593
Energy: 0.9589444358902877
Energy: 0.9587682610482364
Energy: 1.0318522676396877
Energy: 0.9589444358902877
Energy: 0.9587682610482364
Energy: 1.0318522676393593
Energy: 0.958944435890616
Energy: 0.9913924252662091
Energy: 0.9975583339701348
Energy: 0.9439273051425126
Energy: 0.9913924252653733
Energy: 0.9975583339696572
Energy: 0.943927305141856
Energy: 0.9913924252658808
Energy: 0.9975583339714482
Energy: 0.9439273051426619
Energy: 0.9913924252655525
Energy: 0.9576748858474294
Energy: 0.9582479776950125
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Energy: 0.9576748858474294
Energy: 0.9582479776963259
Energy: 1.0043182726249997
Energy: 0.9576748858475786
Energy: 0.9582479776953408
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Energy: 0.9576748858475786
Energy: 0.9585882799320332
Energy: 0.9574251861966876
Energy: 1.0306374095741215
Energy: 0.9585882799318541
Energy: 0.9574251861974935
Energy: 1.0306374095749575
Energy: 0.9585882799321825
Energy: 0.9574251861968369
Energy: 1.0306374095741215
Energy: 0.9585882799320332
Energy: 1.0608339765965382
Energy: 0.9725189163452722
Energy: 0.9749883981748301
Energy: 1.06083397654236
Energy: 0.9725189163444362
Energy: 0.9749883981754869
Energy: 1.06083397657027
Energy: 0.9725189163449437
Energy: 0.9749883981751584
Energy: 1.0608339765418824
Energy: 0.9601343943977374
Energy: 1.0491939551033596
Energy: 0.9925929314575337
Energy: 0.9601343943977374
Energy: 1.0491939551036882
Energy: 0.9925929314581905
Energy: 0.9601343943979166
Energy: 1.0491939551032106
Energy: 0.9925929314575337
Energy: 0.9601343943975882
Energy: 0.9736056752530887
Energy: 0.9417773679497209
Energy: 1.0168641557487546
Energy: 0.973605675253417
Energy: 0.9417773679503776
Energy: 1.0168641557487546
Energy: 0.9736056752530887
Energy: 0.941777367948915
Energy: 1.0168641557484261
Energy: 0.9736056752532679
Energy: 0.9967968688741419
Energy: 0.9420670967518596
Energy: 0.9554624586503531
Energy: 0.9967968688744702
Energy: 0.942067096752009
Energy: 0.9554624586462636
Energy: 0.9967968688743208
Energy: 0.942067096752009
Energy: 0.955462458650532
Energy: 0.9967968688743208
Energy: 1.0572335308253489
Energy: 0.955558289769163
Energy: 0.9573546384418087
Energy: 1.0572335308250205
Energy: 0.9555582897698197
Energy: 0.9573546384411521
Energy: 1.057233530825498
Energy: 0.9555582897689837
Energy: 0.9573546384416596
Energy: 1.057233530825498
Energy: 0.944159971898811
Energy: 0.9442236046965674
Energy: 1.1443808080807685
Energy: 0.944159971898811
Energy: 0.9442236046974033
Energy: 1.1443808080812758
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Energy: 0.9442236046967466
Energy: 1.1443808080807685
Energy: 0.9441599718993183
Energy: 1.0087058915590217
Energy: 0.9673810610900874
Energy: 0.9546913483198157
Energy: 1.0087058915590217
Energy: 0.9673810610900874
Energy: 0.9546913483204725
Energy: 1.0087058915583649
Energy: 0.9673810610907441
Energy: 0.9546913483199649
Energy: 1.008705891558514
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Energy: 0.9925719955553637
Energy: 0.9550835400701467
Energy: 0.955443036742371
Energy: 0.9925719955543787
Energy: 0.9550835400708034
Energy: 0.955443036744162
Energy: 0.9925719955553637
Energy: 0.9550835400696392
Energy: 0.9554430367430279
Energy: 0.969946584441316
Energy: 1.0153406428848817
Energy: 0.9931259384274758
Energy: 0.9699465844417936
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Energy: 0.9931259384271475
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Energy: 1.0153406428850609
Energy: 0.9931259384281326
Energy: 0.9699465844416443
Energy: 1.0704642544945073
Energy: 0.9607370863922222
Energy: 0.9599985318796882
Energy: 1.0704642544941787
Energy: 0.9607370863923713
Energy: 0.959998531879539
Energy: 1.0704642544941787
Energy: 0.9607370863918937
Energy: 0.9599985318793598
Energy: 1.0704642544948355
Energy: 0.9563672356549433
Energy: 0.9544358909233567
Energy: 0.9840645336201495
Energy: 0.9563672356542867
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Energy: 0.984064533619821
Energy: 0.9563672356549433
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Energy: 0.984064533620806
Energy: 0.9563672356542867
Energy: 0.95552506777198
Energy: 0.9548728450086876
Energy: 0.9966220250304134
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Energy: 0.9548728450083591
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Energy: 0.9555250677724576
Energy: 0.9548728450086876
Energy: 0.9966220250304134
Energy: 0.9555250677721292
Energy: 0.9975656229875067
Energy: 0.9583538519981789
Energy: 0.9710035759612611
Energy: 0.9975656229868499
Energy: 0.9583538519973432
Energy: 0.9710035759610821
Energy: 0.9975656229873275
Energy: 0.9583538519981789
Energy: 0.9710035759612611
Energy: 0.997565622986671
Energy: 0.9558325851268432
Energy: 1.0793782736166895
Energy: 0.9439256556768731
Energy: 0.9558325851269923
Energy: 1.0793782736168687
Energy: 0.9439256556775297
Energy: 0.9558325851246939
Energy: 1.0793782736168687
Energy: 0.9439256556765446
Energy: 0.9558325851265147
Energy: 0.9590022427876977
Energy: 0.9588734191477627
Energy: 0.9696444178629293
Energy: 0.9590022427872202
Energy: 0.9588734191475836
Energy: 0.9696444178620935
Energy: 0.9590022427873695
Energy: 0.958873419148091
Energy: 0.9696444178630786
Energy: 0.959002242786892
Energy: 0.9495562567091856
Energy: 0.9549758229385477
Energy: 0.9425578785471281
Energy: 0.9495562567095139
Energy: 0.9549758229385477
Energy: 0.942557878546949
Energy: 0.9495562567093646
Energy: 0.9549758229382193
Energy: 0.9425578785474564
Energy: 0.9495562567095139
Energy: 0.961061607380535
Energy: 0.9729651252473557
Energy: 0.9712109696756018
Energy: 0.9610616073811917
Energy: 0.9729651252478333
Energy: 0.9712109696760794
Energy: 0.9610616073800575
Energy: 0.9729651252473557
Energy: 0.9712109696757512
Energy: 0.9610616073823559
Energy: 0.9601977467774091
Energy: 0.9704280795776878
Energy: 0.9924863660786866
Energy: 0.9601977467795284
Energy: 0.9704280795783448
Energy: 0.9924863660790149
Energy: 0.9601977467774091
Energy: 0.9704280795783448
Energy: 0.9924863660786866
Energy: 0.9601977467792001
Energy: 1.0172030281066309
Energy: 0.942576189866701
Energy: 1.0103616123869215
Energy: 1.017203028104989
Energy: 0.9425761898665518
Energy: 1.0103616123865933
Energy: 1.0172030281048399
Energy: 0.9425761898668801
Energy: 1.0103616123872499
Energy: 1.0172030281068098
Energy: 0.9569863365816138
Energy: 0.9703544902968727
Energy: 1.0740911442518102
Energy: 0.9569863365824497
Energy: 0.9703544902973503
Energy: 1.074091144251482
Energy: 0.9569863365816138
Energy: 0.9703544902965444
Energy: 1.074091144251661
Energy: 0.9569863365824497
Energy: 1.0844542176071856
Energy: 0.9426370271332527
Energy: 1.0094257872757875
Energy: 1.084454217606708
Energy: 0.9426370271327751
Energy: 1.0094257872746228
Energy: 1.0844542176071856
Energy: 0.9426370271331034
Energy: 1.0094257872759362
Energy: 1.0844542176068572
Energy: 0.9727236974606621
Energy: 0.9440975241046127
Energy: 0.95506115176647
Energy: 0.9727236974636173
Energy: 0.944097524104135
Energy: 0.9550611517699027
Energy: 0.9727236974606621
Energy: 0.9440975241046127
Energy: 0.9550611517713953
Energy: 0.9727236974621247
Energy: 0.9688136263384591
Energy: 1.0526229878796118
Energy: 0.9573020860751728
Energy: 0.9688136263383098
Energy: 1.0526229878796118
Energy: 0.9573020860756504
Energy: 0.9688136263383098
Energy: 1.052622987879761
Energy: 0.9573020860753219
Energy: 0.9688136263386381
Energy: 0.9442227620586947
Energy: 0.9717577991846009
Energy: 0.9550615781393202
Energy: 0.9442227620585157
Energy: 0.971757799184422
Energy: 0.9550615781399769
Energy: 0.9442227620585157
Energy: 0.971757799184422
Energy: 0.9550615781396485
Energy: 0.9442227620590231
Energy: 0.9703090031507375
Energy: 0.9427208365693177
Energy: 0.944183500517763
Energy: 0.9703090031522003
Energy: 0.942720836568661
Energy: 0.944183500517763
Energy: 0.9703090031513943
Energy: 0.9427208365698253
Energy: 0.9441835005179122
Energy: 0.9703090031515434
Energy: 0.9704203935000109
Energy: 0.9565719790739611
Energy: 1.0649274910982152
Energy: 0.9704203935000109
Energy: 0.9565719790744686
Energy: 1.0649274910975586
Energy: 0.9704203934988468
Energy: 0.9565719790742896
Energy: 1.0649274910983944
Energy: 0.9704203934991751
Energy: 0.9427221388956817
Energy: 1.0339388772399074
Energy: 0.9721168424392123
Energy: 0.9427221388958308
Energy: 1.0339388772387732
Energy: 0.9721168424392123
Energy: 0.9427221388951742
Energy: 1.0339388772392508
Energy: 0.9721168424390629
Energy: 0.94272213889601
Energy: 1.0090225672454167
Energy: 0.958699709542458
Energy: 1.0547475697639976
Energy: 1.0090225672455662
Energy: 0.9586997095423088
Energy: 1.0547475697636695
Energy: 1.0090225672441033
Energy: 0.958699709542458
Energy: 1.0547475697636695
Energy: 1.0090225672472077
Energy: 0.9728706890958675
Energy: 0.955847373028815
Energy: 0.9416803444179567
Energy: 0.9728706890948824
Energy: 0.9558473730294716
Energy: 0.9416803444179567
Energy: 0.9728706890960466
Energy: 0.955847373028815
Energy: 0.9416803444179567
Energy: 0.9728706890948824
Energy: 0.9653105477445781
Energy: 1.0216688792382815
Energy: 0.9421544466509966
Energy: 0.965310547744399
Energy: 1.0216688792384605
Energy: 0.942154446651504
Energy: 0.9653105477447272
Energy: 1.0216688792382815
Energy: 0.9421544466508472
Energy: 0.9653105477447272
Energy: 0.9575264668015748
Energy: 1.0744486717829793
Energy: 0.9700484582082098
Energy: 0.9575264668015748
Energy: 1.0744486717831288
Energy: 0.9700484582075531
Energy: 0.9575264668012465
Energy: 1.0744486717829793
Energy: 0.9700484582083888
Energy: 0.9575264668012465
Energy: 1.0505760582906818
Energy: 0.9889959909909709
Energy: 0.9438524442783018
Energy: 1.0505760582893684
Energy: 0.9889959909907918
Energy: 0.9438524442787795
Energy: 1.050576058289846
Energy: 0.9889959909909709
Energy: 0.9438524442786304
Energy: 1.0505760582887116
Energy: 0.9584496196145192
Energy: 0.9912765941242587
Energy: 0.9736668128389083
Energy: 0.9584496196156536
Energy: 0.9912765941239302
Energy: 0.9736668128390575
Energy: 0.9584496196145192
Energy: 0.9912765941240795
Energy: 0.9736668128390575
Energy: 0.9584496196155042
Energy: 0.9552748710424889
Energy: 0.9711999578094915
Energy: 0.973161571842691
Energy: 0.9552748710413249
Energy: 0.9711999578096409
Energy: 0.9731615718423625
Energy: 0.9552748710424889
Energy: 0.9711999578104766
Energy: 0.973161571842691
Energy: 0.9552748710416532
Energy: 1.0035423645576618
Energy: 0.9422924248204986
Energy: 0.9883440543294874
Energy: 1.0035423645575123
Energy: 0.9422924248203194
Energy: 0.9883440543294874
Energy: 1.0035423645578407
Energy: 0.9422924248203194
Energy: 0.988344054329159
Energy: 1.0035423645575123
Energy: 0.9602694251775191
Energy: 1.0698403784439638
Energy: 0.9599178695096108
Energy: 0.9602694251776684
Energy: 1.0698403784438146
Energy: 0.9599178695094616
Energy: 0.9602694251770116
Energy: 1.0698403784447996
Energy: 0.9599178695092825
Energy: 0.9602694251773402
Energy: 0.9987445112712142
Energy: 0.9419711094615928
Energy: 0.973768043109549
Energy: 0.9987445112707068
Energy: 0.9419711094619213
Energy: 0.9737680431067431
Energy: 0.9987445112710351
Energy: 0.9419711094619213
Energy: 0.9737680431075789
Energy: 0.9987445112713635
Energy: 0.9722219548390401
Energy: 0.9559174301926848
Energy: 0.9550721817930469
Energy: 0.9722219548392192
Energy: 0.9559174301926848
Energy: 0.9550721817942108
Energy: 0.9722219548388907
Energy: 0.9559174301925056
Energy: 0.9550721817928975
Energy: 0.9722219548393684
Energy: 1.030315971977897
Energy: 0.9766449093649867
Energy: 0.9545948552593658
Energy: 1.0303159719777177
Energy: 0.9766449093651657
Energy: 0.9545948552588882
Energy: 1.0303159719767327
Energy: 0.976644909365315
Energy: 0.9545948552595449
Energy: 1.0303159719775685
Energy: 0.9440446486259331
Energy: 0.9711816697209552
Energy: 1.0547494218480933
Energy: 0.9440446486252764
Energy: 0.9711816697204478
Energy: 1.054744549012155
Energy: 0.9440446486252764
Energy: 0.9711816697211045
Energy: 1.0547488863606258
Energy: 0.9440446486252764
Energy: 0.9697422791139039
Energy: 1.064069276446981
Energy: 0.957355232856391
Energy: 0.9697422791139039
Energy: 1.0640692764466528
Energy: 0.9573552328554059
Energy: 0.9697422791137545
Energy: 1.0640692764471602
Energy: 0.957355232856391
Energy: 0.9697422791142322

minimum gb energy = 0.9416803444179567 eV
minimum distance =  2.54299226563564 Angstroms
sigma value = 437


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

Energy: 0.8665680084296153
Energy: 0.9785588583499586
Energy: 0.9785077015014371
Energy: 0.8665680084314097
Energy: 0.9785588583529492
Energy: 0.9785077015020353
Energy: 0.8665680084296153
Energy: 0.9785588583505567
Energy: 0.9785077015014371
Energy: 0.8665680084314097
Energy: 0.9050663775852543
Energy: 0.8478501301993074
Energy: 0.8533629942626679
Energy: 0.90506637758346
Energy: 0.847850130196915
Energy: 0.8533629942644623
Energy: 0.9050663775840582
Energy: 0.8478501301993074
Energy: 0.853362994263266
Energy: 0.9050663775828619
Energy: 0.9398566849904808
Energy: 0.8415408244272667
Energy: 0.8461315928501767
Energy: 0.9398566849892847
Energy: 0.8415408244278648
Energy: 0.8461307719242054
Energy: 0.9398566849904808
Energy: 0.8415408244272667
Energy: 0.8461360569064669
Energy: 0.9398566849892847
Energy: 0.8575091624121518
Energy: 0.9047218133416787
Energy: 0.8615790348483793
Energy: 0.8575091624127499
Energy: 0.904721813324333
Energy: 0.8615790348489774
Energy: 0.8575091624133481
Energy: 0.90472181334766
Energy: 0.8615790348477812
Energy: 0.8575091624115537
Energy: 0.9687375105194415
Energy: 0.8549632523512785
Energy: 1.0764032274433744
Energy: 0.9687375105194415
Energy: 0.8549632523506802
Energy: 1.0764032274439723
Energy: 0.9687375105200395
Energy: 0.8549632523512785
Energy: 1.0764032274433744
Energy: 0.9687375105188433
Energy: 0.8601831907145844
Energy: 0.9087592887713867
Energy: 0.8476460209611243
Energy: 0.8601831907133881
Energy: 0.9087592887719848
Energy: 0.8476460209617225
Energy: 0.8601831907151825
Energy: 0.9087592887719848
Energy: 0.8476460209611243
Energy: 0.8601831907139862
Energy: 0.904413066500104
Energy: 0.8679939966562509
Energy: 0.8413435792834658
Energy: 0.9044130664977116
Energy: 0.8679939966574471
Energy: 0.8413435792846621
Energy: 0.9044130664977116
Energy: 0.867993996656849
Energy: 0.8413435792840639
Energy: 0.9044130664983097
Energy: 0.8492626996713439
Energy: 0.9392690580497641
Energy: 0.8527332975342562
Energy: 0.8492626996737092
Energy: 0.9392690580479698
Energy: 0.8527332975354525
Energy: 0.849262699671942
Energy: 0.939269058049166
Energy: 0.8527332975342562
Energy: 0.8492626996725402
Energy: 1.0685844058978833
Energy: 0.8553969726929797
Energy: 0.8551339775644707
Energy: 1.068584405897285
Energy: 0.8553969726911853
Energy: 0.855133977562078
Energy: 1.0685844058978833
Energy: 0.8553969726929797
Energy: 0.8551339775650688
Energy: 1.068584405897285
Energy: 0.8593939237853715
Energy: 0.9215530195340529
Energy: 0.9476918685363531
Energy: 0.8593939237853715
Energy: 0.9215530195352492
Energy: 0.9476918685333625
Energy: 0.8593939237865679
Energy: 0.9215530195340529
Energy: 0.9476918685333625
Energy: 0.8593939237853715
Energy: 0.8416870117815434
Energy: 0.8398713310298679
Energy: 0.8828503005577809
Energy: 0.8416870117797489
Energy: 0.8462423452212817
Energy: 0.882850300558379
Energy: 0.8416870117815434
Energy: 0.8462423452236741
Energy: 0.8828503005589771
Energy: 0.8416870117803471
Energy: 0.9219163946546187
Energy: 0.8473648578569214
Energy: 0.9616890830559184
Energy: 0.9219163946534223
Energy: 0.8473648578569214
Energy: 0.9616890830547221
Energy: 0.9219163946540204
Energy: 0.8473648578569214
Energy: 0.9616890830553203
Energy: 0.9219163946582074
Energy: 0.8553894120569162
Energy: 1.0889336063173938
Energy: 0.8550645063040373
Energy: 0.8553894120593089
Energy: 1.0889336063191881
Energy: 0.8550645063016449
Energy: 0.8553894120569162
Energy: 1.0889336063173938
Energy: 0.8550645063034392
Energy: 0.8553894120593089
Energy: 0.8595466371211955
Energy: 0.8470721995600258
Energy: 0.9046497704771749
Energy: 0.8595466371289711
Energy: 0.8470721995612219
Energy: 0.9046497704771749
Energy: 0.8595466371331578
Energy: 0.8470721995600258
Energy: 0.9046497704771749
Energy: 0.8595466371469147

minimum gb energy = 0.8398713310298679 eV
minimum distance =  2.54234739827909 Angstroms
sigma value = 33