Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1465589627623562
cohesive_energy=6.810535640520251
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.3083199636691596e-19, 3.5293067329078798e-19, 4.52312087721174e-19, 5.3666508532464e-19, 6.09799642136838e-19, 6.73997257684584e-19, 7.30778397593544e-19, 7.81226133268302e-19, 8.2615437043893e-19, 8.66191162345956e-19, 9.0184119462909e-19, 9.3351622668327e-19, 9.61559124308172e-19, 9.862582792979158e-19, 1.0078588246775039e-18, 1.026577054292526e-18, 1.0426004228091599e-18, 1.0560907500674399e-18, 1.0671970384943278e-18, 1.076047462220544e-18, 1.08275898014037e-18, 1.087440540264918e-18, 1.09018506883896e-18, 1.0910822877539998e-18, 1.090114573067064e-18, 1.0869727046877898e-18, 1.0812577406343119e-18, 1.072485823563162e-18, 1.060083374239368e-18, 1.043355048003774e-18, 1.021464508653432e-18, 9.933895674958498e-19, 9.57888537639678e-19, 9.1342493169291e-19, 8.58104976874158e-19, 7.895606561183699e-19, 7.04818329592842e-19, 6.001048713245039e-19, 4.705913209384799e-19, 3.10017974325732e-19, 1.102066810756704e-19, -1.397165316266628e-19, -4.54375691225766e-19, -8.538223587314759e-19, -1.3660157981483999e-18, -2.03085501419304e-18, -2.9066368058701197e-18, -4.0812085180218594e-18, -5.6915242093225795e-18, -7.96014223600122e-18, -1.1267883962193239e-17, -1.63095172634664e-17, -2.44631543715558e-17, -3.8787895220823e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.019613164439799616
Energy: 0.020929839022316512
Energy: 28.26014464177022
Energy: 40.4805677848147
Energy: 28.34650949836282
Energy: 28.484277141773934
Energy: 28.014579706022133
Energy: 27.996651989374183
Energy: 0.2825277260205309
Energy: 0.02144659624818332
Energy: 0.0206795981795122
Energy: 28.112125222031946
Energy: 15.803501019710323
Energy: 0.020321803097369598
Energy: 0.020845124107102733
Energy: 28.22823798131164
Energy: 28.028988770134376
Energy: 28.23611962041818
Energy: 28.62604968475416
Energy: 28.43947865441729
Energy: 40.59259144676397
Energy: 28.602830386974137
Energy: 28.17392844692542
Energy: 0.020765746653662695
Energy: 28.12342197284904
Energy: 14.745280059785244
Energy: 0.020499492754200207
Energy: 0.020325786316486745
Energy: 28.508689858248896
Energy: 28.23078254464823
Energy: 0.020483135899044685
Energy: 27.966079667124447
Energy: 28.47109172886773
Energy: 40.61898180851263
Energy: 28.34885466357688
Energy: 28.599785952084492
Energy: 0.020952348738641872
Energy: 0.020313116650988023
Energy: 15.353363592784559
Energy: 0.020487100243628712
Energy: 0.020446870933362598
Energy: 15.459341377687865
Energy: 15.544978860841857
Energy: 0.02022326688420472
Energy: 0.020221968372705578
Energy: 28.52961258486673
Energy: 40.55669406208723
Energy: 40.52515293240337
Energy: 28.725826929603627
Energy: 0.019863898836117045
Energy: 40.29423488894934
Energy: 28.283389934131957
Energy: 27.967898572038667
Energy: 0.020401504601324665
Energy: 0.02022430186316696
Energy: 15.12051146355148
Energy: 0.02014045185374491
Energy: 0.02119311078292375
Energy: 28.66221687452086
Energy: 28.786301081308903
Energy: 0.02105311287862968
Energy: 28.068590469098254
Energy: 28.661125830097433
Energy: 40.50136631136104
Energy: 28.324061795044962
Energy: 28.49953101630724
Energy: 0.020459472959820188
Energy: 0.020537563605624594
Energy: 15.04982348805211
Energy: 28.051338537222037

minimum gb energy = 0.019613164439799616 eV
minimum distance =  1.72667650110047 Angstroms
sigma value = 3


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

Energy: 3.27905357520645
Energy: 1.9914725181120876
Energy: 1.9963544531930117
Energy: 2.0537173982325156
Energy: 2.0649437809747138
Energy: 2.0090941941406677
Energy: 2.0168907991857576
Energy: 2.1536578527806545
Energy: 1.9953336301377824
Energy: 1.9793081665035364
Energy: 2.1770928015395614
Energy: 2.0503811188897756
Energy: 2.1300574910360353
Energy: 2.4696426398464784
Energy: 1.9879550249448141
Energy: 2.071500298256373
Energy: 2.126323150010974
Energy: 2.1277885245102333
Energy: 1.999829208980306
Energy: 2.0577346731747164
Energy: 2.125274026777423
Energy: 1.9466502369619296
Energy: 1.9400016002805738
Energy: 2.072766846504942
Energy: 2.0547579224376724
Energy: 2.1403923286856226
Energy: 2.469276221461228
Energy: 1.9449069380732718
Energy: 2.028887915619649
Energy: 2.242476653937182
Energy: 2.264347529394203
Energy: 2.015529648162849
Energy: 2.0291559218967263
Energy: 2.058679080316598
Energy: 1.9083534996557228
Energy: 1.9679839576838754
Energy: 2.025100953555506
Energy: 2.0237266294728324
Energy: 2.0242934067724043
Energy: 2.0030716895856853
Energy: 2.2978131511445254
Energy: 1.99653005039939
Energy: 2.3470622813656643
Energy: 2.333602257080164
Energy: 1.9954470337760954
Energy: 2.039394976827811
Energy: 2.1294816992628185
Energy: 1.9815766259327277
Energy: 2.052060004606473
Energy: 1.9391618543822655
Energy: 2.0597100315171795
Energy: 2.1755135438442883
Energy: 1.9487106948222062
Energy: 1.9955316852168714
Energy: 2.1135489421076703
Energy: 1.9652235384903045
Energy: 2.148731894097972
Energy: 1.9384427912399531
Energy: 1.9440853105029727
Energy: 1.9494492893087783
Energy: 1.9047788159077386
Energy: 1.9128198929311613
Energy: 1.907194040315396
Energy: 1.9116012801386493
Energy: 2.031243085881851
Energy: 1.9469393841785756
Energy: 1.9381626140348485
Energy: 2.1499822722843986
Energy: 1.9437813481672452
Energy: 2.041558943012578
Energy: 2.0480295202828684
Energy: 1.9022152188382329
Energy: 2.021007763358955
Energy: 2.011607427165879
Energy: 1.894776441754838
Energy: 1.896381344473571
Energy: 1.9000083473336489
Energy: 2.0952239418576943
Energy: 2.2120203216639553
Energy: 1.907722360797887
Energy: 1.907457982768944
Energy: 2.1101142966800195
Energy: 1.8958106709536031
Energy: 1.8941869431378906
Energy: 1.904768094417231
Energy: 1.9774889571497989
Energy: 1.9824100735803467
Energy: 1.9765764775117822
Energy: 2.0903621292864676
Energy: 1.9112673044910238
Energy: 1.957570431381062
Energy: 2.045525315668046
Energy: 1.9366109293739329
Energy: 1.936324731784487
Energy: 2.1097788480079562
Energy: 1.9950753757404591
Energy: 1.9105833757479926
Energy: 1.9096845149040398
Energy: 1.9065010022212043
Energy: 2.0969078497771614
Energy: 1.9309636218571058
Energy: 1.9266462774147304
Energy: 2.1255372590882473
Energy: 1.9272712387897488
Energy: 2.292291099269676
Energy: 1.9528467013246789
Energy: 1.9074183007552237
Energy: 2.004933427833043
Energy: 2.095231537618225
Energy: 1.9488210067478506
Energy: 1.9342301363779963
Energy: 1.9539787626477294
Energy: 2.0974721748875162
Energy: 1.9944881550841085
Energy: 1.9942702296029802
Energy: 2.278872584463093
Energy: 2.001204261829241
Energy: 2.0315661348524374
Energy: 2.076929862052411
Energy: 1.9495518811875157
Energy: 2.0130240244789626
Energy: 2.076253443699686
Energy: 2.1304987885088726
Energy: 2.010771767882971
Energy: 1.9561831355605577
Energy: 2.095711298180909
Energy: 2.046872033033972
Energy: 2.015601862510746
Energy: 1.973224249774512
Energy: 2.0542554857899926
Energy: 2.003722228160703
Energy: 2.0388318219020864
Energy: 1.99198723676424
Energy: 1.9557367623350235
Energy: 2.1459531322992698
Energy: 2.06123671175265
Energy: 2.1125703985150412
Energy: 1.9280155550798537
Energy: 1.947985623081088
Energy: 2.1010477225749606
Energy: 2.010145833836994
Energy: 2.0097016702609385
Energy: 2.0491296195615685
Energy: 2.1140516213795935
Energy: 2.1390617787523594
Energy: 2.011994860906492
Energy: 2.018304498826206
Energy: 2.047734853104953
Energy: 1.9482934068305298
Energy: 2.00798591807999
Energy: 2.011115377212688
Energy: 2.1219557250566283
Energy: 2.0273907576046146
Energy: 1.9971622302603331
Energy: 2.108254247984419
Energy: 2.0738487227906273
Energy: 2.0464358702642365
Energy: 1.9570018954674986
Energy: 2.468005199470076
Energy: 1.9848513659402545
Energy: 2.2189638740395163
Energy: 2.4685282182662918
Energy: 1.9457903442373037
Energy: 2.027420046794048
Energy: 2.164775813245508
Energy: 2.049115073576112
Energy: 1.9438521280481016
Energy: 2.009775689603527
Energy: 2.073476939439936
Energy: 1.9665463690502807
Energy: 1.9382447793177877
Energy: 1.9436096810172825
Energy: 2.2251192847062575
Energy: 2.0099446132181202
Energy: 2.2061229394607462
Energy: 2.004353887602006
Energy: 1.940772324311813
Energy: 2.010092621761421
Energy: 2.2455946755996656
Energy: 1.936810388909893
Energy: 2.028072996009212
Energy: 2.1383689348701007
Energy: 2.1185857424564984
Energy: 2.0500744736070153
Energy: 1.9420586954540493
Energy: 2.3682304181726375
Energy: 2.1938939398481088
Energy: 2.3435736030069965
Energy: 2.3200364509147717
Energy: 1.9883456130433657
Energy: 1.9976827054644741
Energy: 2.198549891056095
Energy: 1.9395579870347397
Energy: 1.9457658183694313
Energy: 1.9482607755431236
Energy: 2.081174155407723
Energy: 2.0561768191213985
Energy: 1.9976547258777633
Energy: 1.9424674172868301
Energy: 1.9889250486000085
Energy: 1.9435735162671912
Energy: 1.939420700180485
Energy: 1.9417462890904715
Energy: 1.9396929704103492
Energy: 2.0406030489946283
Energy: 1.8989909414489539
Energy: 1.9695320108766194
Energy: 1.8999474131454408
Energy: 1.9043591601520469
Energy: 2.117575247615633
Energy: 1.9011938976877147
Energy: 1.9062279579841588
Energy: 2.109230534700456
Energy: 2.215011691927216
Energy: 1.9035283500055864
Energy: 1.8967822094653073
Energy: 1.907333450798226
Energy: 2.017614109594057
Energy: 2.0119649535047035
Energy: 2.0128852497058842
Energy: 1.9017541051345597
Energy: 2.0155234525157284
Energy: 2.0846897992844085
Energy: 2.0546915599554874
Energy: 1.9170767564583577
Energy: 2.1535436472169325
Energy: 2.1673015617734177
Energy: 1.9009586578599833
Energy: 1.9631021760114482
Energy: 1.9064224185605103
Energy: 2.034672625475259
Energy: 2.0041853431853327
Energy: 1.9093551604621293
Energy: 1.9069117513574072
Energy: 2.035537612191576
Energy: 1.9560948628072423
Energy: 2.1666432839421104
Energy: 1.9278906335850865
Energy: 1.9270985396469644
Energy: 2.0932149115002843
Energy: 2.0296729123769577
Energy: 1.904877608128434
Energy: 2.0113887940898043
Energy: 2.0790708768868043
Energy: 2.0510249857798364
Energy: 1.9393840079774833
Energy: 1.9343014487147823
Energy: 2.140986967822134
Energy: 1.9343655250684175
Energy: 2.126216605387149
Energy: 2.271504528907974
Energy: 1.9962363042826015
Energy: 2.0015156817107904
Energy: 2.0294550285481
Energy: 1.9343246693841916
Energy: 2.0326818833103264
Energy: 2.000081857373491
Energy: 2.0705256009270685
Energy: 2.04817934419517
Energy: 1.9956742827840865
Energy: 2.1156324581461763
Energy: 2.1291423792647937
Energy: 2.127566423036382
Energy: 1.971722587039864
Energy: 1.9942946495155809
Energy: 2.0298801215079987
Energy: 2.0636265576414194
Energy: 2.0807171479174116
Energy: 2.0126565729049
Energy: 1.9574759608555874
Energy: 2.154167521867318
Energy: 2.0582494971922607
Energy: 2.0164049225474754
Energy: 1.9877206523662698
Energy: 2.0478004871665445
Energy: 2.173777402418327
Energy: 2.038470124745076
Energy: 1.993830921583735
Energy: 2.02990311422607
Energy: 2.001934676537106
Energy: 2.4349959718185037
Energy: 2.002045830820733
Energy: 1.9993110907739344
Energy: 1.9913532038290471
Energy: 2.181496266674068
Energy: 2.026887129940073
Energy: 2.012970461276563
Energy: 2.264980866444401
Energy: 2.0043152909946533
Energy: 1.9981126513819554

minimum gb energy = 1.8941869431378906 eV
minimum distance =  2.45361896106635 Angstroms
sigma value = 75


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

Energy: 3.2687355357993892
Energy: 2.077841997754671
Energy: 2.049183774216951
Energy: 2.112545412330439
Energy: 2.074230509231057
Energy: 2.0709635664450348
Energy: 2.0055661455792646
Energy: 2.085888055025451
Energy: 2.0699480115925457
Energy: 2.526044056538583
Energy: 1.9973187845845235
Energy: 2.021540146762225
Energy: 2.065689417626238
Energy: 2.1034679745014677
Energy: 2.2730783156054373
Energy: 2.0636520729267267
Energy: 2.082783900440715
Energy: 2.0545163797124824
Energy: 2.031919811408572
Energy: 2.084849651058353
Energy: 2.1841836995582113
Energy: 2.0628457473859365
Energy: 2.0654811889478744
Energy: 2.049753146504738
Energy: 2.0457630413070906
Energy: 2.2432276893647995
Energy: 2.246674633585194
Energy: 2.0746949887168036
Energy: 2.2611664571600354
Energy: 2.1643678983037558
Energy: 2.364998016461942
Energy: 2.0709160061943193
Energy: 2.2520395754869598
Energy: 2.161101464546336
Energy: 2.117250248000475
Energy: 2.0473498812821145
Energy: 2.0529325664101306
Energy: 2.0566084475202056
Energy: 2.0579199896446965
Energy: 2.088328386933327
Energy: 2.15445250260736
Energy: 2.0397756625173895
Energy: 2.0247893100133814
Energy: 2.1175300197432
Energy: 2.0562162010603484
Energy: 2.0647211922469317
Energy: 2.0702407701715035
Energy: 2.056481615071476
Energy: 2.08984132301259
Energy: 2.067180019477592
Energy: 1.9756921867745243
Energy: 2.0813592201854423
Energy: 2.0313026005227655
Energy: 2.034882306576137
Energy: 2.0584275983197937
Energy: 2.049733563760264
Energy: 2.085379326849826
Energy: 1.9804108692214601
Energy: 2.0968662562205687
Energy: 2.0053671763229595
Energy: 2.0818438437146725
Energy: 2.078760576085999
Energy: 2.0588416701385044
Energy: 2.0552788382550315
Energy: 1.9874837255568996
Energy: 1.9810245572641465
Energy: 1.9802665187146156
Energy: 2.0904353152920887
Energy: 2.0674824090946737
Energy: 2.0780889803442464
Energy: 2.084488485581948
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Energy: 2.1116197102360155
Energy: 2.111496744964046
Energy: 2.204326378048182
Energy: 2.142544608881382
Energy: 2.1038028034747662
Energy: 2.0099951350387646
Energy: 2.0483839849804566
Energy: 2.0560703517530565
Energy: 2.0932160835382727
Energy: 2.119497883261642
Energy: 2.1279892332726384
Energy: 2.1076769675283935
Energy: 2.1281566604941538
Energy: 2.187469827875289
Energy: 2.2184201829221677
Energy: 2.1933096267652994
Energy: 2.0932597711643997
Energy: 2.094938188497286
Energy: 2.074239022339207
Energy: 1.9923666528801411
Energy: 2.1141375579628776
Energy: 2.0631949693825926
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Energy: 2.2104575500516908
Energy: 2.2833942239248737
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Energy: 2.2155095623563645
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Energy: 1.95456466664198
Energy: 2.3128087465020752
Energy: 2.1195377983615877
Energy: 2.1263510390417837
Energy: 2.149401370190086
Energy: 2.0839903713416175
Energy: 2.066364953832656
Energy: 2.1219979241981624
Energy: 2.059959367702819
Energy: 2.1008154767379934
Energy: 2.2377240012632638
Energy: 2.038678467320856
Energy: 2.041766298561963
Energy: 2.057756049415048
Energy: 2.038720075001092
Energy: 2.115283770243823
Energy: 2.098365215828496
Energy: 2.113875997066412
Energy: 2.10219907476207
Energy: 2.174919772209438
Energy: 2.1523634762680848
Energy: 2.0699285347357073
Energy: 2.105204579435233
Energy: 2.0907424154484366
Energy: 2.174555826976221
Energy: 2.0740928559190475
Energy: 2.1101319349904224
Energy: 2.0899786102812046
Energy: 2.69040962353852
Energy: 2.0919621555874026
Energy: 2.0791570753160724
Energy: 2.288299356590354
Energy: 2.2847480234490476
Energy: 2.156774785641492
Energy: 2.057130510733855
Energy: 2.0566683100381433
Energy: 2.0233811795551566
Energy: 2.007757714271947
Energy: 2.0285794928067844
Energy: 2.0783235186040114
Energy: 1.9817628861300696
Energy: 1.9959393153462228
Energy: 2.0424125588710424
Energy: 2.0373207223127023
Energy: 2.0449950406907083
Energy: 2.0410954588490067
Energy: 2.0594167830312275
Energy: 2.0673026594581523
Energy: 2.055146659320362
Energy: 2.0983762432345756
Energy: 2.014743325740206
Energy: 2.066258329888923
Energy: 2.0596935335764317
Energy: 2.0371725690409392
Energy: 2.106777587964744
Energy: 2.035171297194588
Energy: 1.9786456171026696
Energy: 2.091571904362847
Energy: 2.0245752829951384
Energy: 2.051549979459125
Energy: 2.069844881185395
Energy: 2.0987123682260793
Energy: 2.0508778289202896
Energy: 2.05106119782394
Energy: 2.029063872511093
Energy: 2.023557766861614
Energy: 1.9761586774884914
Energy: 2.0556864386645732
Energy: 2.0351974935412582
Energy: 2.0511013540751044
Energy: 2.0558084963696728
Energy: 2.0799840130333376
Energy: 2.0951783346400092
Energy: 2.130636135052283
Energy: 2.181039006199229
Energy: 2.0943854266613964
Energy: 2.0908136685386483
Energy: 2.1321295589232006
Energy: 1.9997762084312503
Energy: 2.0935305216183195
Energy: 2.097056498734692
Energy: 2.079883690030088
Energy: 2.0899703579209374
Energy: 2.180667809222579
Energy: 2.1305117592366942
Energy: 2.132087193629433
Energy: 2.186511619711105
Energy: 2.285367448576761
Energy: 2.4762570678635454
Energy: 2.15903915891824
Energy: 2.240158500040489
Energy: 2.136974509993014
Energy: 2.313800555596024
Energy: 2.084767962739738
Energy: 2.0292222664904833
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minimum gb energy = 1.9541938848137663 eV
minimum distance =  2.43960348384141 Angstroms
sigma value = 105


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

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Energy: 2.088589154850562
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Energy: 2.237202740362963
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Energy: 2.1264580067029026
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Energy: 2.1687835753887668
Energy: 2.2294267043440525
Energy: 2.207060168649948
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Energy: 2.1986960147130525
Energy: 1.9877292179102293
Energy: 2.0216202123285156
Energy: 2.007646768808866
Energy: 1.964874070203631
Energy: 1.957413997027077
Energy: 1.9764375261552898
Energy: 1.9946987651145138
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Energy: 2.2098305166619734
Energy: 2.209462679127271
Energy: 1.9707090446763318
Energy: 2.0064638587465473
Energy: 1.983947872763772
Energy: 1.994868374741334
Energy: 1.9997410893555394
Energy: 2.0302710539470623
Energy: 2.1094966319636366
Energy: 1.987090019089786
Energy: 2.0697117268933027
Energy: 2.0572072809281248
Energy: 2.0027573085408714
Energy: 1.9904096832176708
Energy: 1.9580668034806479
Energy: 1.9882407875871981
Energy: 2.009777799996412
Energy: 1.9618696014682362
Energy: 2.087171891516673
Energy: 1.9606972520018082
Energy: 2.161823274325204
Energy: 1.9287174222553174
Energy: 2.1027951889319185
Energy: 2.2793937560490414
Energy: 2.25018977330065
Energy: 1.9933612407691719
Energy: 1.9949287745099955
Energy: 2.0297010830987334
Energy: 2.072317000288166
Energy: 2.1539219326580703
Energy: 2.084735012322621
Energy: 2.1460924319849735
Energy: 2.0688491395917374
Energy: 2.3326732243759154
Energy: 2.268776425537248
Energy: 2.2489125718141025
Energy: 2.2560727182942295
Energy: 2.006567263831069
Energy: 2.2535800287912187
Energy: 2.060819207791402
Energy: 2.0397411343016367
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Energy: 1.9995555274551085
Energy: 2.1861651471356707
Energy: 2.1912474223615064
Energy: 2.2541530137730748
Energy: 2.2730531101661473
Energy: 1.993296652386491

minimum gb energy = 1.854611703266385 eV
minimum distance =  2.45982078096303 Angstroms
sigma value = 165


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

Energy: 2.7895534413269734
Energy: 1.9482384832421153
Energy: 1.8775272324002752
Energy: 2.0023559356811793
Energy: 1.9700794821448764
Energy: 1.8778850373424878
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Energy: 1.9342383630461457
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Energy: 2.1261019313843716
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Energy: 1.8798778222384571
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Energy: 1.8811177686289786
Energy: 1.8777607806574432
Energy: 1.9462203561597191
Energy: 2.024894421922745
Energy: 1.9472028752584378
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Energy: 1.959865949060038
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Energy: 1.942997793398345
Energy: 1.8779266464168736
Energy: 1.878866619151637
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Energy: 1.9741213637584047
Energy: 1.9727124489156733
Energy: 1.9513646194067849
Energy: 2.0206824390457983
Energy: 1.9736218197290658
Energy: 1.8687495736633974
Energy: 1.8831057612027942
Energy: 1.9203347853534205
Energy: 1.88165351531533
Energy: 1.959101437636947
Energy: 1.9596090179820231
Energy: 1.9022258992728378
Energy: 2.0336351020087005
Energy: 2.42119507264804
Energy: 2.127533445366562
Energy: 1.8797881978591549
Energy: 1.8805806553575382
Energy: 1.8789016772384555
Energy: 1.9644916598770898
Energy: 1.9703394147794928
Energy: 1.9329053800746143
Energy: 1.9471000615626828
Energy: 1.839205083047242
Energy: 1.9589762573415317
Energy: 2.085169708340388
Energy: 2.102491096401407
Energy: 2.126935750320354
Energy: 1.9364315245292343

minimum gb energy = 1.8122935625529737 eV
minimum distance =  2.44433525774726 Angstroms
sigma value = 41


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

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Energy: 2.4284774648710514
Energy: 2.5573854978510027
Energy: 1.9918822798247664
Energy: 1.9219848571383544
Energy: 2.0174206900504412
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Energy: 2.4564391224303597
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Energy: 2.0532147474898372
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Energy: 2.0212770840560164
Energy: 2.0475405450989985
Energy: 2.0044635405230617
Energy: 2.0663334189403852
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Energy: 2.0450131177983693
Energy: 2.060907906234293
Energy: 2.0580720601965896
Energy: 1.9137761181251192
Energy: 1.898495285314392
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Energy: 1.991380964875532
Energy: 2.04091693085274
Energy: 2.042320342240535
Energy: 2.085802490802562
Energy: 2.084901841892429
Energy: 2.020138516023993
Energy: 1.9057974029058227
Energy: 1.9119563118865952
Energy: 1.8891350677768945
Energy: 1.9381222637850197
Energy: 1.987776803511506
Energy: 2.0308410172159945
Energy: 1.9852266887700094
Energy: 1.9479109553088272
Energy: 1.9897003432011686
Energy: 1.9928250092063464
Energy: 2.0661488773926506
Energy: 1.9122106957813918
Energy: 1.8575167829121435
Energy: 1.7894781865694545
Energy: 1.968989363444558
Energy: 2.0254649658605985
Energy: 2.056228955188581
Energy: 2.0224954846880663
Energy: 2.0713578884007378
Energy: 1.988632653144354
Energy: 2.3496322998580443
Energy: 2.0302329942558286
Energy: 1.8116272064253784
Energy: 1.8537794592726815
Energy: 2.0579883324452024
Energy: 2.098730537452492
Energy: 1.982598057629394
Energy: 1.9439585752618558
Energy: 2.0614893391275055
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Energy: 2.079198115913004
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Energy: 2.06510193512531
Energy: 1.903423385840326
Energy: 1.956925272589311
Energy: 1.9303115299542724
Energy: 1.943052260454854
Energy: 1.9975874026183738
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Energy: 1.9391065857898242
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Energy: 2.0871187548562706
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Energy: 1.8925117047186715
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Energy: 2.025060482941863
Energy: 1.8438936652810731
Energy: 1.8200244379769728
Energy: 2.3573803239792595
Energy: 2.0713041818092837
Energy: 1.8601318212196971
Energy: 1.9572217572158814
Energy: 2.0811720247497973
Energy: 2.162323711075183
Energy: 1.9740663318940634
Energy: 2.481231026053178
Energy: 1.9828471496229465
Energy: 1.9568734593266945
Energy: 2.0561068854907214
Energy: 2.0784458233142984
Energy: 1.9208461536005168
Energy: 2.041724947912689
Energy: 2.0894955356269915
Energy: 2.199029954860274
Energy: 2.0798279739189245
Energy: 1.8833366188210054
Energy: 1.9238181635766678
Energy: 2.0576627891668022
Energy: 2.017648160555783
Energy: 1.953163056739636
Energy: 2.090605834901074
Energy: 2.35164228538556
Energy: 2.2807574060994598
Energy: 2.198024445770659
Energy: 2.2171823880524353
Energy: 1.8303027979099924
Energy: 1.8686916735685604
Energy: 1.99225181528977
Energy: 1.8549342183314796
Energy: 1.8617113262108655
Energy: 1.9305392399086716
Energy: 1.9841102463005615
Energy: 2.0671770974785817
Energy: 2.186642254335808
Energy: 2.0739437497058817
Energy: 2.0634242038686987
Energy: 1.9589433315098652
Energy: 1.8916572018137954
Energy: 1.8548572077893846
Energy: 1.954090702933851
Energy: 1.8993471262508193
Energy: 1.9474958665510234
Energy: 2.061965014254093
Energy: 2.1434482408053688
Energy: 2.108242606591123
Energy: 2.0812686555673574
Energy: 2.021154994776019
Energy: 1.8558975689121229
Energy: 1.8608593632669315
Energy: 1.9364947367989784
Energy: 2.025292818674416
Energy: 2.0971865329590025
Energy: 1.9270287920207358
Energy: 2.0614901376427195
Energy: 1.9881400155765043
Energy: 2.072350448775826
Energy: 1.9463137895258158
Energy: 1.8668092318011646
Energy: 1.810784338786691
Energy: 2.0734050011936462
Energy: 2.064746377635537
Energy: 2.0465527839294197
Energy: 1.927407515143948
Energy: 2.070788920667701
Energy: 2.0711997156172193
Energy: 1.9869516637714042
Energy: 2.5581082099751353
Energy: 2.0935786306907627

minimum gb energy = 1.7874395137661214 eV
minimum distance =  2.43414815420465 Angstroms
sigma value = 185


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

Energy: 3.2829737323174024
Energy: 2.3803020127932175
Energy: 2.0457974896239044
Energy: 1.9033047066534132
Energy: 1.9026587783952762
Energy: 1.9473135609145775
Energy: 2.0539455390500554
Energy: 2.105543637532253
Energy: 1.9046699956875217
Energy: 2.381705336557401
Energy: 2.0260968015161183
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Energy: 1.9090833193522578
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Energy: 1.7120101529669087
Energy: 1.855330981451306
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Energy: 1.7157725466556575
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Energy: 1.90280323986707
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Energy: 1.8598985155785228
Energy: 1.9224275325422076
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Energy: 2.048463974512017
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Energy: 1.9016831648571424
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Energy: 1.7084616851609944
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Energy: 1.9045947716765266
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Energy: 1.9034783746610056
Energy: 2.044735585984837
Energy: 2.058343922473187
Energy: 2.1041490864812324
Energy: 2.24192220007824
Energy: 2.026369336314
Energy: 2.383078537925006
Energy: 2.2876381461163215
Energy: 2.0825201124270563
Energy: 2.1168848160541875
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Energy: 2.2873803658998133
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Energy: 2.0912103629794854
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Energy: 1.9243300943726713
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Energy: 1.903323870178319
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Energy: 1.9026867053483605
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Energy: 1.8641571816800286
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Energy: 1.9035777738633766
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Energy: 2.045807494052581
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Energy: 1.902233607551829
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Energy: 2.056639539359029
Energy: 2.055300331496729
Energy: 1.903542424210661
Energy: 2.027392398441476
Energy: 2.2891673880997367
Energy: 2.051992447907581
Energy: 2.08519912911873
Energy: 2.090937312339856
Energy: 2.0521389238466945
Energy: 2.0534242633392723
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Energy: 1.7113099667272198
Energy: 1.7124424917656607
Energy: 1.9020459083818357
Energy: 2.0595718112929906
Energy: 1.9028093893232145
Energy: 2.0446066307667587
Energy: 2.030850515497008
Energy: 2.0464508793289284
Energy: 2.0452968476938893
Energy: 2.047553121179928
Energy: 2.0532774182924793
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Energy: 1.8595260494064447
Energy: 1.9348983655847607
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Energy: 1.9354433156619937
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Energy: 2.0478040824150856
Energy: 2.0558795428118626
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Energy: 1.9055058441327917
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Energy: 2.0600674181037437
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Energy: 1.9062643164022708
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Energy: 2.0551897767466016
Energy: 2.046398400103841
Energy: 2.045857399190974
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Energy: 2.420255108708712
Energy: 1.9387911589541091
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Energy: 2.050985490661675
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Energy: 1.9266648236314208
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Energy: 1.9019578973076052
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Energy: 2.0489443530147478
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Energy: 2.045373538515247
Energy: 1.9031303568816265
Energy: 1.7121714615922554
Energy: 1.8623746689257805
Energy: 1.7718439626258924
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Energy: 1.908052611506616
Energy: 2.0454841825609256
Energy: 2.0448075890625175
Energy: 1.9057645296251895
Energy: 2.0606057716176114
Energy: 1.9072166354019437
Energy: 1.9029233089050555
Energy: 1.936315753119841
Energy: 1.9151195979668652
Energy: 1.9360389442979957
Energy: 1.921969229466845
Energy: 1.9995281815849526
Energy: 1.937806719652737
Energy: 2.247960499220901
Energy: 2.3847487127541562
Energy: 2.0287099905998836
Energy: 1.904548903610761
Energy: 2.0806165296513806
Energy: 1.9360132070680693
Energy: 1.901809294590335
Energy: 2.045472937454546
Energy: 2.054272500001257
Energy: 1.9510180718225516
Energy: 2.0564071145363183
Energy: 1.9046901944966996
Energy: 2.024475184899478
Energy: 1.9061415386141798
Energy: 1.9033594244039993
Energy: 2.087236177504986
Energy: 1.9019965529841991
Energy: 2.0548881322426586
Energy: 2.0546942549572984
Energy: 2.0468997406103058
Energy: 1.711188962235482
Energy: 1.7120644111005576
Energy: 1.9082028142835608
Energy: 2.06005460523966
Energy: 1.9026841532011416
Energy: 1.9040843717269984
Energy: 2.0464786486894404
Energy: 2.0523834541864043
Energy: 2.283026459836089
Energy: 2.055406467021369
Energy: 1.714395011406033
Energy: 1.7739020608541778
Energy: 1.8651972345695738
Energy: 1.905604736669458
Energy: 1.937322488520242
Energy: 1.9040958018255365
Energy: 2.046267620343569
Energy: 2.054047034630731
Energy: 2.046051741405057
Energy: 1.7113516817314567
Energy: 1.9037976368301353
Energy: 1.9020823429969143
Energy: 1.909081984590923
Energy: 1.9079287989088118
Energy: 1.7737887719827998
Energy: 1.7104259281472372
Energy: 1.7118864391276598
Energy: 2.112242574393254
Energy: 1.9462486540644386
Energy: 2.0539112130668022
Energy: 2.027589079371351
Energy: 2.030148611596618
Energy: 2.0790658949191863
Energy: 1.9021417804979037
Energy: 1.9357596833004542
Energy: 1.9032970783179868
Energy: 2.1095380767194234
Energy: 2.0972572335182127
Energy: 2.401460343065146
Energy: 2.382067290482

minimum gb energy = 1.7084616851609944 eV
minimum distance =  2.44954865115652 Angstroms
sigma value = 33


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

Energy: 3.2567032192314844
Energy: 2.1543798551345454
Energy: 2.016726565600357
Energy: 1.991101011395459
Energy: 2.0038052880452537
Energy: 2.1408694111141853
Energy: 2.0136733162984166
Energy: 2.1056122466631733
Energy: 2.0551807248607847
Energy: 2.1527691654957177
Energy: 1.868255937099544
Energy: 2.0369607379899564
Energy: 2.1015226491107857
Energy: 2.1129512871944627
Energy: 2.129918075274378
Energy: 2.1022939749729908
Energy: 2.1115938861348673
Energy: 2.0489821768231575
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Energy: 1.9210560024910808
Energy: 1.9065202153547824
Energy: 2.064511286728975
Energy: 2.107713597787341
Energy: 2.0786407009295007
Energy: 1.946696347369623
Energy: 2.065948473789474
Energy: 2.06440426898512
Energy: 2.0280373093657227
Energy: 1.9213905366589041
Energy: 1.9618260169082788
Energy: 1.9025780922699673
Energy: 1.9026000169472128
Energy: 2.0917076038924747
Energy: 2.0054050959239205
Energy: 1.9878574963584494
Energy: 2.0228037606585616
Energy: 2.0522664638890213
Energy: 2.1480963839571556
Energy: 1.914656921265331
Energy: 1.8951986635597475
Energy: 1.9058408852846822
Energy: 2.153563915504773
Energy: 2.1307889945961493
Energy: 2.231818648189639
Energy: 2.2348026350097374
Energy: 2.0635361655313407
Energy: 2.1761795255516905
Energy: 2.210865680141712
Energy: 1.9229579951475642
Energy: 1.8912437690511377
Energy: 2.0140695761614684
Energy: 2.0565203099092044
Energy: 2.118648549920876
Energy: 2.039719774696856
Energy: 2.051128535935617
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Energy: 2.0220540363360304
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Energy: 2.166254433151121
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Energy: 1.9880719491417298
Energy: 2.1858104150735245
Energy: 2.126333778958674
Energy: 2.040336198788925
Energy: 2.1096204621875874
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Energy: 1.8932679511028545
Energy: 1.9732575472867855
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Energy: 1.9235222691251688
Energy: 2.1107388776821687
Energy: 2.100869516585022
Energy: 2.049940226529664
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Energy: 2.0098086822517547
Energy: 2.00680521780904
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Energy: 1.947485025658358
Energy: 2.085066234436953
Energy: 1.9143751600501453
Energy: 2.583256773838012
Energy: 2.1941571910752424
Energy: 2.135035286899261
Energy: 1.8628164331434205
Energy: 2.020421138441723
Energy: 2.1124204047438853
Energy: 1.979947324620189
Energy: 2.0242774174752296
Energy: 1.9962465433339736
Energy: 1.9817371641679595
Energy: 2.1084144616710168
Energy: 2.0708097904650122
Energy: 2.0612802215205184
Energy: 1.9867478367309763
Energy: 2.260341810369379
Energy: 2.057214617016907
Energy: 2.3069691950347395
Energy: 2.0132740344565523
Energy: 2.034613764753782
Energy: 2.0311929130200626
Energy: 2.114595488375339
Energy: 2.059825498245332
Energy: 1.9527854875136312
Energy: 1.8927926954353065
Energy: 2.117055895047595
Energy: 2.2620783185427262
Energy: 2.18124012922284
Energy: 2.1291201526070043
Energy: 2.1734068595905347
Energy: 2.1289941462832522
Energy: 2.318600242580328
Energy: 1.9346944545056495
Energy: 1.9357828553147869
Energy: 1.8912885773788863
Energy: 2.0482683831019624
Energy: 2.101221665688923
Energy: 2.0235233546019256
Energy: 1.9974581166248722
Energy: 2.0456722401822938
Energy: 2.189585204617288
Energy: 2.106785587729948
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Energy: 2.234561342404114
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Energy: 1.9457213366069241
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Energy: 2.1346879175278883
Energy: 2.1873542898498672
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Energy: 1.906389207658056
Energy: 2.000013741375857
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Energy: 2.0045433219210924
Energy: 1.948193367620261
Energy: 2.217896847929863
Energy: 2.012505061363246
Energy: 2.108471191145479
Energy: 2.0686096123661666
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Energy: 2.0031396007491815
Energy: 2.106323846973341
Energy: 1.9890076254989082
Energy: 1.9811125589582563
Energy: 2.1082788994285067
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Energy: 1.9714281623155365
Energy: 2.247302049282003
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Energy: 2.0560611777538034
Energy: 2.052344812880404
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Energy: 2.004126425152123
Energy: 2.0554764479653422
Energy: 2.012347462434922
Energy: 2.1682310961078075
Energy: 2.0489145847220307
Energy: 2.18632413256248

minimum gb energy = 1.8628164331434205 eV
minimum distance =  2.4506495046514 Angstroms
sigma value = 219


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

Energy: 2.980792201853448
Energy: 1.7972489374096443
Energy: 1.82583836327764
Energy: 1.8252651876664554
Energy: 1.9379460216063513
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Energy: 1.9796649512273976
Energy: 1.873600884266529
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Energy: 1.8305640074096532
Energy: 1.922732632009387
Energy: 1.8724117284931954
Energy: 1.8291876535053664
Energy: 1.8244527145331582
Energy: 1.8663023854384446
Energy: 1.8728520974153577
Energy: 1.8250969753078246
Energy: 1.8264027225671622
Energy: 1.9797965186954105
Energy: 1.8009904575112452
Energy: 1.8731954508639546
Energy: 1.872213418398706
Energy: 1.8240962043191553
Energy: 1.8740026668138727
Energy: 1.8319169272642801
Energy: 1.8004247984858304
Energy: 1.8621406463349528
Energy: 1.8312756763765266
Energy: 1.8224176923778739

minimum gb energy = 1.7744713590179455 eV
minimum distance =  2.45996285470617 Angstroms
sigma value = 15


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

Energy: 2.9328421654846135
Energy: 1.9931829262278882
Energy: 2.178332556854475
Energy: 2.1824668040331665
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Energy: 1.9999397501375595
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Energy: 2.2543160060767096
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Energy: 2.009436083055533
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Energy: 2.1803260061830896
Energy: 2.0027827427762475
Energy: 1.9873287907228383
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Energy: 1.9967828037960516
Energy: 2.101834116337872
Energy: 2.0265758793293704
Energy: 2.116201844422122
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Energy: 2.183740168727858
Energy: 2.0775948436462404
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Energy: 2.2303707782554496
Energy: 2.031709329720954
Energy: 2.077739353510788
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Energy: 2.1789770480357413
Energy: 2.186836572067501
Energy: 2.304009042343636
Energy: 2.180796679228685
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Energy: 2.1833179645563128
Energy: 2.053680458500242
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Energy: 2.0291215816881105
Energy: 2.0456965105144738
Energy: 2.113953503098307
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minimum gb energy = 1.9800856761564736 eV
minimum distance =  2.42805897370618 Angstroms
sigma value = 293


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

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Energy: 2.2452778481206335
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Energy: 2.2687373075283954
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Energy: 2.133220563538418
Energy: 2.101267705542697
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Energy: 2.2987764486999476
Energy: 2.406261990857938
Energy: 2.1691490825734188
Energy: 2.045448066900116
Energy: 2.4551437387391184
Energy: 2.248427843049895
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Energy: 2.0987732366329954
Energy: 2.1094756045162226
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Energy: 2.271151252850731
Energy: 2.215489546686419
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Energy: 2.1053612543139186
Energy: 2.0495373656268967
Energy: 2.2973351448358197
Energy: 2.1368841209742406
Energy: 2.0704633343168815
Energy: 2.1375216748090167
Energy: 2.0961880269744726
Energy: 2.1778612829232413
Energy: 2.271956171824938
Energy: 2.0898105200479584
Energy: 2.4297730916181117
Energy: 2.050400430716632
Energy: 2.300620359573452
Energy: 2.076444192613086
Energy: 2.220945227064834
Energy: 2.1469052729328175
Energy: 2.1498746860663243
Energy: 2.0011258945243675
Energy: 2.0009593556247327
Energy: 2.006747723644053
Energy: 2.2756178812031984
Energy: 2.2168692202412297
Energy: 2.2686581714768748
Energy: 2.349080466638852
Energy: 2.472470577300719
Energy: 2.3719360127360396
Energy: 2.1462539456991987
Energy: 1.977460989584786
Energy: 2.1214879176779653
Energy: 2.0499874600357644
Energy: 2.2107627768373495
Energy: 2.2177882649282337
Energy: 2.336322137694201
Energy: 2.048920795668865
Energy: 2.3897306798433577
Energy: 2.151698338047146
Energy: 2.149408934259538
Energy: 1.978807746401919
Energy: 1.9779402784192335
Energy: 2.049652659750678
Energy: 2.1413454679682005
Energy: 2.1200901335182167
Energy: 2.2974267506165402
Energy: 2.330047588979729
Energy: 2.089662395723848
Energy: 2.019919993121532
Energy: 2.152469052984711
Energy: 1.9786752223463457
Energy: 2.0526636619673386
Energy: 2.0025685994315
Energy: 2.0509712343221587
Energy: 2.1625296939360568
Energy: 2.1349182964480944
Energy: 2.3740767187767386

minimum gb energy = 1.976706998498366 eV
minimum distance =  2.43773527520133 Angstroms
sigma value = 293


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

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Energy: 2.049540893411539
Energy: 2.156425505784715
Energy: 2.3322505866515044
Energy: 1.9505192142228958
Energy: 1.9951162703394179
Energy: 1.876814614925997
Energy: 1.9436526309148745
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Energy: 1.865624502739151
Energy: 1.9301476882034387
Energy: 11.4195251281185
Energy: 1.9520275110735854
Energy: 2.1566791638121483
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Energy: 1.972285087256788
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Energy: 1.9505933673790676
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Energy: 1.8602089776829915
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Energy: 1.9532109515074485
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Energy: 2.331920518573647
Energy: 1.9298235858394726
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Energy: 1.9430120397438972
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Energy: 2.157440618485291
Energy: 2.157594903735216
Energy: 1.950670239805003
Energy: 2.0164972088330457
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Energy: 1.9505074700549727
Energy: 1.7492031575784535
Energy: 2.1586006454341735
Energy: 2.0834164781409354
Energy: 2.214451893322471
Energy: 1.929486297942502
Energy: 1.9946483614373496
Energy: 1.9491607806268751
Energy: 1.8513888326444186
Energy: 1.9454117216349922
Energy: 1.9270453074857254
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Energy: 1.7496061958018911
Energy: 1.8524551693021647
Energy: 2.155555260734585
Energy: 2.330279432781598
Energy: 2.156778316481958
Energy: 1.8629959843581347
Energy: 1.9458043430193979
Energy: 1.9934254655429715
Energy: 1.9516981054066678
Energy: 1.9527329373108828
Energy: 11.110301960666467
Energy: 1.9905039569618448
Energy: 1.863754455412676
Energy: 2.1562114134893577
Energy: 2.155912227671218
Energy: 1.9698355606545361
Energy: 1.9439721624301007
Energy: 1.853518713926418
Energy: 1.946055705024873
Energy: 1.9276575863567793
Energy: 11.427607536837892
Energy: 11.414146619886283
Energy: 1.8611612835871414
Energy: 1.9708460591209662
Energy: 2.1546494545050847
Energy: 1.8622428731047618
Energy: 1.9331190190726566
Energy: 1.9923722624218763
Energy: 1.9462789481314111
Energy: 1.9525488650163763
Energy: 1.8611064724510624
Energy: 2.0499315398924094
Energy: 2.1638017975479076
Energy: 1.952078425475782
Energy: 1.984643603839252
Energy: 1.996874098385189
Energy: 1.9519908744569943
Energy: 1.950324321555568
Energy: 1.9455743820922538
Energy: 1.9942852679483745
Energy: 1.926939157694333
Energy: 1.7495516375652889
Energy: 1.9501170847170353
Energy: 1.9937716657077067
Energy: 1.8642201148962172
Energy: 2.3323634508127227
Energy: 2.155551035856485
Energy: 1.981649297760445
Energy: 1.9459503324601886
Energy: 1.8743609952398876
Energy: 1.9512167425563454
Energy: 1.9286700418340366
Energy: 11.354210649397446
Energy: 1.7495243977311645
Energy: 1.9715412500770098
Energy: 2.159405627756376
Energy: 2.156538588115355
Energy: 1.860288934896276
Energy: 1.9500110236769617
Energy: 1.946424849875641
Energy: 1.991594827361212
Energy: 1.9510773272619335
Energy: 11.312978624081822

minimum gb energy = 1.7489672259107807 eV
minimum distance =  1.60871165162026 Angstroms
sigma value = 15


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

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Energy: 2.0285695178420227
Energy: 2.05182875444195
Energy: 2.044458423307735
Energy: 2.109231356977291
Energy: 2.3664682844954266
Energy: 2.0594329194124312
Energy: 2.0258572661810614
Energy: 2.051163131092279
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Energy: 2.2084592822207605
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Energy: 2.02971697129675
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Energy: 2.2977045774171767
Energy: 2.2332030835770738
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Energy: 2.046268908592053
Energy: 2.369481007311641
Energy: 2.004668631630056
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Energy: 2.05258625084149
Energy: 1.994313118269642
Energy: 2.2642033230676772
Energy: 2.05290814325818
Energy: 2.0636220946586703
Energy: 2.0897948153855497
Energy: 2.194454159708945
Energy: 2.0416764426186877
Energy: 2.0036636027093437
Energy: 2.007970914219629
Energy: 2.0071001205908834
Energy: 2.2306068159888137
Energy: 2.252197830712127
Energy: 2.6109191386265915
Energy: 2.2033872395871796
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Energy: 2.0963352176959913
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Energy: 2.006165235296376
Energy: 2.004683125287151
Energy: 2.143243100327332
Energy: 2.2929015286428593
Energy: 2.377479822438421
Energy: 2.1677212471097174
Energy: 2.3042332870432927
Energy: 2.0903213359065402
Energy: 2.071690054209896
Energy: 2.062379052179846
Energy: 2.2290733255138737
Energy: 2.0062430865903687
Energy: 1.9996447589840396
Energy: 2.2796050219148385
Energy: 2.203358568446601
Energy: 2.2885005689055635
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Energy: 2.034060196018059
Energy: 2.0309396623766216
Energy: 2.0788897493247442
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Energy: 2.025989156928488
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Energy: 1.9924292718755032
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Energy: 2.078879389148249
Energy: 2.1172052091449842
Energy: 2.0827893357407055
Energy: 2.165376435386005
Energy: 2.1461099695825268
Energy: 2.215035982312466
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Energy: 2.1615688717660726
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Energy: 2.051374984361516
Energy: 2.0303200768150536
Energy: 2.0564454604664664
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Energy: 2.1638972895348347
Energy: 2.164773853182416
Energy: 2.1785617587726067
Energy: 2.2063677828260113
Energy: 2.1706758932415204
Energy: 2.164192649832829
Energy: 2.118333813522016
Energy: 2.092613951153474
Energy: 2.079128783008671
Energy: 2.1729400388575035
Energy: 2.1626977851953875
Energy: 2.163202810599043
Energy: 2.307313988296613
Energy: 2.1335295419106557
Energy: 2.2318885911753377
Energy: 2.164669963018772
Energy: 2.328570792950053
Energy: 2.333923408277264
Energy: 2.261628849088077
Energy: 2.0657506100197964
Energy: 2.010062666782904
Energy: 2.1120235365629174
Energy: 2.3056867991734578
Energy: 2.032008563993058
Energy: 2.027910710551209
Energy: 2.0457001853706926
Energy: 2.007553175877052
Energy: 2.2552231641540557
Energy: 2.0292417697705996
Energy: 2.1111226309721993
Energy: 2.07713550684604
Energy: 2.15342224960034
Energy: 2.226348173528211
Energy: 2.0077062618967867
Energy: 2.0671823450828137
Energy: 2.139482590643795
Energy: 2.0073129819410878
Energy: 2.0052324294746575
Energy: 2.030365320689097
Energy: 2.0531237035470493
Energy: 2.0843104726656647
Energy: 2.3062179559238873
Energy: 2.170637374987649
Energy: 2.378080833470369
Energy: 2.3385129790758272
Energy: 2.1379212748152057
Energy: 2.004441253205466
Energy: 2.003822427194974
Energy: 2.0411535309924735
Energy: 2.0515197826599447
Energy: 1.9964149753438718
Energy: 2.148219768059914
Energy: 2.489098835789684
Energy: 2.3145095827357167
Energy: 2.230434746028856
Energy: 2.0563973853434416
Energy: 2.0329623672953536
Energy: 2.058630091385791
Energy: 2.3667557149271046
Energy: 2.314170540528214
Energy: 2.1159751282331425
Energy: 2.1058113336222997
Energy: 2.0510836746516774
Energy: 1.992009962790972
Energy: 2.008150385251033
Energy: 2.2340854053707977
Energy: 2.0043879197463514
Energy: 2.025668502678162
Energy: 2.071696564591605
Energy: 2.0459301693405667
Energy: 2.0450481644886778
Energy: 2.0842633965804502
Energy: 2.2304256513944423
Energy: 2.1577695462258535
Energy: 2.323474615406632
Energy: 2.1966552964369592
Energy: 2.1057646057173907
Energy: 2.1143564407849236
Energy: 2.080581526965636
Energy: 2.067481477854357
Energy: 2.045279042570366
Energy: 2.046619137542056
Energy: 2.235873414969278
Energy: 2.244656894242119
Energy: 2.420964670733172
Energy: 2.2867187255336465
Energy: 2.2001576988978906
Energy: 2.15191975387607
Energy: 2.082739592051019
Energy: 2.107631139123994
Energy: 2.103650072973079
Energy: 2.2612836780711953
Energy: 2.3083512758440405
Energy: 2.0962352860124502
Energy: 2.2885248913598497
Energy: 2.074718914978623
Energy: 2.026543010059754
Energy: 2.0114855245330125
Energy: 2.1194935572750446
Energy: 2.186697063910534
Energy: 2.276645276178929
Energy: 2.2730882781121253
Energy: 2.0489741634686536
Energy: 2.047153010770773
Energy: 2.1796357827547985
Energy: 2.0734624537347717
Energy: 2.291518900797048
Energy: 2.2314659278190545
Energy: 2.0975946418743274
Energy: 2.1331105768314944
Energy: 2.1012367251617636
Energy: 2.2341552595101986
Energy: 2.3083089238977608
Energy: 2.1170563037219323
Energy: 2.289236729059182
Energy: 2.0523369838184387
Energy: 2.1050681533971627
Energy: 2.230490813817664
Energy: 2.315704975464517
Energy: 2.1790141892128916
Energy: 2.1833349066900016
Energy: 2.2355854126770165
Energy: 2.2444164750512874
Energy: 2.106692462940832
Energy: 2.2797757571908845
Energy: 2.028343241337928
Energy: 2.069100333245094
Energy: 2.3090447172056447
Energy: 2.1301295624632988
Energy: 2.224679329940321
Energy: 2.140997648519565
Energy: 2.199851025697995
Energy: 2.010645209655136
Energy: 2.2751584840516297
Energy: 2.0521637455545334
Energy: 2.231928397956508
Energy: 2.336948055765886
Energy: 2.0475138726453985
Energy: 2.01054324348257
Energy: 2.0709750373300078
Energy: 2.1286486159646874
Energy: 2.0660271500986074
Energy: 2.1129730854056694
Energy: 2.277871285742606
Energy: 2.2883189486127984
Energy: 2.2537250747099287
Energy: 2.230238486236614
Energy: 2.084894489997958
Energy: 2.05581345868663
Energy: 2.0463391638479296
Energy: 2.0832634109569663
Energy: 2.0298340711035645
Energy: 2.0305343749818303
Energy: 2.278826042246041
Energy: 2.1641529835550086
Energy: 2.170476785798267
Energy: 2.0490567378594133
Energy: 2.062300095371576
Energy: 2.0920994315271226
Energy: 2.1072764466405243
Energy: 2.3737729412039315
Energy: 2.3472264720301297
Energy: 2.030938908153637
Energy: 2.050395613705306
Energy: 2.141296623818798

minimum gb energy = 1.992009962790972 eV
minimum distance =  2.43169557440528 Angstroms
sigma value = 437


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

Energy: 2.891275421041348
Energy: 2.1146764581829025
Energy: 2.209732863591676
Energy: 2.103586574194445
Energy: 2.103200390454856
Energy: 2.075049472957184
Energy: 2.1184849720742296
Energy: 2.167486070865447
Energy: 2.274486601590424
Energy: 1.980397075008833
Energy: 2.3774875119071788
Energy: 2.0113341777363862
Energy: 2.0142412186247878
Energy: 2.1049741324589406
Energy: 2.0762868428887145
Energy: 1.9982381427844744
Energy: 2.1363509796951146
Energy: 2.122871693336759
Energy: 1.9087790729431524
Energy: 1.9773184796174907
Energy: 2.4436893305023264
Energy: 2.18782378357985
Energy: 1.978759527880746
Energy: 2.442219724111969
Energy: 2.0756412173533474
Energy: 2.107104809583341
Energy: 2.1512025594799646
Energy: 2.1135489886106975
Energy: 2.0210535093826123
Energy: 2.2529475716899166
Energy: 2.288810752472757
Energy: 2.208009128524603
Energy: 2.385905467890492
Energy: 2.1394453717738675
Energy: 2.1297260180902473
Energy: 2.0807600108570328
Energy: 2.0957969609351363
Energy: 2.195264390087432
Energy: 2.197724485810539
Energy: 2.2408140908526955
Energy: 2.159991096651168
Energy: 2.349955838945817
Energy: 2.055088458305283
Energy: 2.285330968843116
Energy: 2.1298460003791218
Energy: 2.079630861595009
Energy: 2.4072211653425346
Energy: 2.085861731160039
Energy: 1.9733322451047186
Energy: 2.0070975736093244
Energy: 2.0935631340442473
Energy: 1.9735438506537015
Energy: 2.1692514088441297
Energy: 2.2129898264840375
Energy: 2.2151600308564188
Energy: 2.067451467531274
Energy: 2.088847033058941
Energy: 2.1829611778907507
Energy: 1.9746339487209403
Energy: 1.9733554848780293
Energy: 2.2836197306755155
Energy: 1.9735874428452407
Energy: 1.9409339211050747
Energy: 2.067230564254994
Energy: 2.1251140098161283
Energy: 2.1097700305544875
Energy: 2.0928398731183337
Energy: 2.0886599802413595
Energy: 1.9868551068091482
Energy: 2.032915062816743
Energy: 1.972415997821972
Energy: 1.826683123059616
Energy: 1.8294121042792477
Energy: 1.9867836947385493
Energy: 2.2808909764239518
Energy: 2.0039254015570407
Energy: 2.2289171415977984
Energy: 2.1129718082512783
Energy: 2.0066677200757517
Energy: 1.9754352283178043
Energy: 2.348129452346326
Energy: 1.974289494415515
Energy: 2.0136319700365553
Energy: 2.4085021687886283
Energy: 2.082025544624988
Energy: 2.075749347854495
Energy: 2.211466164819532
Energy: 2.254000517140148
Energy: 2.0814909821987824
Energy: 1.9775678366552782
Energy: 2.3782430590574597
Energy: 1.9739393967129992
Energy: 1.9749283144324072
Energy: 2.1379669096090543
Energy: 2.105909403183004
Energy: 2.1069229111881183
Energy: 2.0859437727534598
Energy: 2.1116584036581294
Energy: 2.1009100076422316
Energy: 2.269793044400482
Energy: 2.216463014473735
Energy: 1.954304583745772
Energy: 2.1731953212377224
Energy: 2.2152160244128645
Energy: 2.0829974585684514
Energy: 2.076019704195112
Energy: 2.1000017135481666
Energy: 2.2148674679999347
Energy: 2.1395040942894226
Energy: 2.2104147176368323
Energy: 2.185565032518965
Energy: 2.19476035405271
Energy: 2.0562847722532034
Energy: 2.3646459398997037
Energy: 2.2201355728616314
Energy: 2.138037622107357
Energy: 2.098466924543125
Energy: 2.1559459350516392
Energy: 1.97365108580465
Energy: 2.2100918193085395
Energy: 2.1164374441254155
Energy: 1.9749651124493546
Energy: 1.9748335853943921
Energy: 2.102225912191743
Energy: 2.182533783695645
Energy: 2.1253229718963436
Energy: 2.1213051379713823
Energy: 2.1588575338261458
Energy: 1.9759047787107256
Energy: 2.068459195349553
Energy: 2.502045300063728
Energy: 2.0922332161915316
Energy: 2.2093679063350806
Energy: 2.1040891269785384
Energy: 2.098053238896514
Energy: 2.0029816261389146
Energy: 2.2504567574695375
Energy: 2.1625929137655846
Energy: 2.1686207141329867
Energy: 2.000072293140995

minimum gb energy = 1.826683123059616 eV
minimum distance =  2.45041796370604 Angstroms
sigma value = 33