Model name: model_name=MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_000
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=4.049985826015473
cohesive_energy=3.3534000657025747
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: 0.011681805266583625
Energy: 0.9140558325145612
Energy: 0.6743970275818326
Energy: 0.011681805266583625
Energy: 0.9143520025778168
Energy: 0.9141930327419926
Energy: 0.011681805266583625
Energy: 0.914048191885671
Energy: 0.9143433695906594
Energy: 0.011681805266583625
Energy: 0.8718072956141576
Energy: 0.01280136295545103
Energy: 0.5766789024668949
Energy: 0.8718072956153092
Energy: 0.012801362954299352
Energy: 0.57667887357031
Energy: 0.8718072956141576
Energy: 0.01280136295545103
Energy: 0.5766789141132345
Energy: 0.8718072956141576
Energy: 0.5471624711640267
Energy: 0.01466475168444479
Energy: 0.08300492819691312
Energy: 0.8154584318369386
Energy: 0.01466475168444479
Energy: 0.01466475168444479
Energy: 0.7934537523010989
Energy: 0.014664751683293115
Energy: 0.01466475168444479
Energy: 0.7027690273896313
Energy: 0.8718072956153092
Energy: 0.5766788319660101
Energy: 0.012801362954299352
Energy: 0.8718072956141576
Energy: 0.5766788321985441
Energy: 0.01280136295545103
Energy: 0.8718072956141576
Energy: 0.5766787820905973
Energy: 0.012801362954299352
Energy: 0.8718072956141576
Energy: 0.011681805266583625
Energy: 0.9141077491101052
Energy: 0.9139949585803768
Energy: 0.011681805265431947
Energy: 0.9142218685116394
Energy: 0.9142483246571556
Energy: 0.011681805266583625
Energy: 0.606984607990823
Energy: 0.8829891357384344
Energy: 0.011681805266583625
Energy: 0.8718072956141576
Energy: 0.01280136295545103
Energy: 0.5766789616276297
Energy: 0.8718072956141576
Energy: 0.01280136295545103
Energy: 0.5766789492755997
Energy: 0.8718072956141576
Energy: 0.01280136295545103
Energy: 0.5766789834502968
Energy: 0.8718072956141576
Energy: 0.4167343025223203
Energy: 0.01466475168444479
Energy: 0.387085427865732
Energy: 0.4167280789433769
Energy: 0.01466475168444479
Energy: 0.1616336471598208
Energy: 0.41673509385356555
Energy: 0.014664751683293115
Energy: 0.08300492819691312
Energy: 0.416726427618419

minimum gb energy = 0.011681805265431947 eV
minimum distance =  2.59114200901615 Angstroms
sigma value = 3


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

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Energy: 0.7360758445591921
Energy: 0.7473740368393147
Energy: 0.606538298688247
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Energy: 0.6065368421710426
Energy: 0.7432178155568279
Energy: 0.5566301148892705
Energy: 0.7832916782120675
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Energy: 0.7906471430391026
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Energy: 0.7104917809138195
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Energy: 0.5967416329903974
Energy: 0.7360728688647209
Energy: 0.7473740366766186
Energy: 0.6016029494970864
Energy: 0.7360711103693269
Energy: 0.7473740367521708
Energy: 0.5967554020305011
Energy: 0.7360727162999312
Energy: 0.7473740369766472
Energy: 0.6016028038892457
Energy: 0.7432178163705901
Energy: 0.5566301148912453
Energy: 0.7832916781937309
Energy: 0.7432178201423227
Energy: 0.5566301148898347
Energy: 0.7832916781404391
Energy: 0.7432178260689318
Energy: 0.5566301148906809
Energy: 0.7832916781584938
Energy: 0.7432178284490797
Energy: 0.7200050564377717
Energy: 0.6880353034575714
Energy: 0.7575732567978597
Energy: 0.7228629861044022
Energy: 0.6880353034491085
Energy: 0.7575732567992701
Energy: 0.720005056410972
Energy: 0.6880353034519294
Energy: 0.757573256798706
Energy: 0.7228629861097623
Energy: 0.7555108076747267
Energy: 0.6542065662021289
Energy: 0.5840699681738397
Energy: 0.7555108076744446
Energy: 0.6542062867197721
Energy: 0.5840967307355238
Energy: 0.7555108076738803
Energy: 0.6542065985206336
Energy: 0.5841074130380468
Energy: 0.7555108076744446

minimum gb energy = 0.550074337908602 eV
minimum distance =  2.53146190899268 Angstroms
sigma value = 75


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

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Energy: 0.6299832680317979
Energy: 0.614900981870829
Energy: 0.5883061556798368
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minimum gb energy = 0.5306702937240046 eV
minimum distance =  2.46203448180028 Angstroms
sigma value = 105


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

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Energy: 0.6989424750730668
Energy: 0.7825806274369013
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Energy: 0.6989439233144827
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Energy: 0.7584264177641616
Energy: 0.6989452675184441
Energy: 0.6597635562097315
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Energy: 0.6251635538289089
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Energy: 0.6265558001589611
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Energy: 0.6251637431725322
Energy: 0.678222217438595
Energy: 0.7424887402653298
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Energy: 0.7418820187349218
Energy: 0.7253011966964594
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Energy: 0.6767834073952735
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Energy: 0.7183249479269554
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Energy: 0.7212999473615562
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Energy: 0.5951708703914087
Energy: 0.7115064948979202
Energy: 0.6791686189570545
Energy: 0.5951720741992182
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Energy: 0.7085330792230469
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Energy: 0.743478810812708
Energy: 0.5895350699495459
Energy: 0.8130907518665899
Energy: 0.8115816661003717
Energy: 0.5925371600710264
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Energy: 0.8115816661242584
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Energy: 0.8130907518611405
Energy: 0.8115816661163526
Energy: 0.5925373767983352
Energy: 0.7342105782911653
Energy: 0.6004236353222001
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Energy: 0.7342105759386018
Energy: 0.6023313481552076
Energy: 0.7483898083354886
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Energy: 0.7483898091892285
Energy: 0.7342105723329435
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Energy: 0.6483183643908452
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Energy: 0.6483474944962528
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Energy: 0.6905329396775164
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Energy: 0.7049196862111455
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Energy: 0.5958973332408596
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Energy: 0.7340363131993956
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Energy: 0.7110002304872024
Energy: 0.6977259674358073
Energy: 0.6998590767657835
Energy: 0.727113086588017
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Energy: 0.6998593242133567
Energy: 0.7271130880274059
Energy: 0.6966854562765721
Energy: 0.6998591226724367
Energy: 0.7271130770785739
Energy: 0.6956211049113108
Energy: 0.6614107537825347
Energy: 0.6790715316352642
Energy: 0.7701844233249469
Energy: 0.6614107537856404
Energy: 0.6790422095718188
Energy: 0.7698241283313996
Energy: 0.6614107537865723
Energy: 0.6719816707111241
Energy: 0.7565191022383277
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Energy: 0.8059109402655094
Energy: 0.6527481273664646
Energy: 0.7860283301118395
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Energy: 0.6422756258812305
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Energy: 0.7645243363760227
Energy: 0.6543207794650951
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Energy: 0.75325931529536
Energy: 0.7691046929339264
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Energy: 0.6313347320076909
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Energy: 0.7691183577590507
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Energy: 0.6313348846433505
Energy: 0.767391826813078
Energy: 0.7277912585428605
Energy: 0.6640708608522965
Energy: 0.7157777860568243
Energy: 0.7277912585431712
Energy: 0.664070801770006
Energy: 0.7157796100183618
Energy: 0.7277912585444135
Energy: 0.6640708447655803
Energy: 0.7157785927700976
Energy: 0.7277912585451759
Energy: 0.6534878810844726
Energy: 0.7143070175426787
Energy: 0.7131708060213049
Energy: 0.6534878811077381
Energy: 0.714306990180706
Energy: 0.713170806025512
Energy: 0.6534878811035595
Energy: 0.7143070276925749
Energy: 0.7131708060237896
Energy: 0.653487881111324
Energy: 0.7024442949958104
Energy: 0.6543702278782753
Energy: 0.6722199407206921
Energy: 0.7049400302959788
Energy: 0.6702377520484701
Energy: 0.6722199407143392
Energy: 0.7056235092774904
Energy: 0.6544831122987804
Energy: 0.672219940685596
Energy: 0.7152174840152429
Energy: 0.7375458786565287
Energy: 0.6807093156799466
Energy: 0.7413149321293881
Energy: 0.7375458786433429
Energy: 0.6770867695245781
Energy: 0.7413382348307782
Energy: 0.7375458786543544
Energy: 0.6807093156052935
Energy: 0.741345548418494
Energy: 0.7375458786320206
Energy: 0.7318920590866752
Energy: 0.6668344340824642
Energy: 0.5978646068589127
Energy: 0.7318920590027046
Energy: 0.6668341534255189
Energy: 0.5978646282270873
Energy: 0.7318920588653415
Energy: 0.6668336715781619
Energy: 0.5978646161007451
Energy: 0.7318920587093435
Energy: 0.6862344416174516
Energy: 0.7321922421143262
Energy: 0.7261591238391935
Energy: 0.68623444222391
Energy: 0.7272000666925126
Energy: 0.726159123728343
Energy: 0.6862344420744343
Energy: 0.7321922625022967
Energy: 0.7261591238045774
Energy: 0.6862344432268151
Energy: 0.7610443474554391
Energy: 0.7646034526321568
Energy: 0.693151738557209
Energy: 0.761042716917248
Energy: 0.7453934022140054
Energy: 0.6931566894965543
Energy: 0.7610431503450422
Energy: 0.7646034519629886
Energy: 0.6931493232178374
Energy: 0.7610415651851157
Energy: 0.7425924120922043
Energy: 0.6258576116037654
Energy: 0.7081153884304536
Energy: 0.7425924120926559
Energy: 0.627181675183479
Energy: 0.7081155024572887
Energy: 0.7425924120923454
Energy: 0.6258577907256345
Energy: 0.708115536194598
Energy: 0.7425924120901713

minimum gb energy = 0.5895350699495459 eV
minimum distance =  2.49305730161529 Angstroms
sigma value = 165


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

Energy: 0.6282510462915977
Energy: 0.795779198262538
Energy: 0.7879274428087673
Energy: 0.6034375851994804
Energy: 0.795779198254541
Energy: 0.787927442207671
Energy: 0.6282510466672798
Energy: 0.7957791983563434
Energy: 0.7879274436038235
Energy: 0.6034375852000136
Energy: 0.7085070589441624
Energy: 0.7045303031224509
Energy: 0.8607131244051399
Energy: 0.7085070685521074
Energy: 0.7045303031224509
Energy: 0.8607131244046068
Energy: 0.7085070775280348
Energy: 0.7045303031219178
Energy: 0.8607131244040735
Energy: 0.7085070835709855
Energy: 0.682387267800599
Energy: 0.7852994416654622
Energy: 0.700213043452294
Energy: 0.6823872678016653
Energy: 0.7852994416659952
Energy: 0.7035828249379696
Energy: 0.6823872678011321
Energy: 0.7852994416665284
Energy: 0.7002130135589657
Energy: 0.6823872678011321
Energy: 0.7984325821544246
Energy: 0.8280098786224872
Energy: 0.6973844808336098
Energy: 0.7984325552255275
Energy: 0.8280098786219542
Energy: 0.6973844808341428
Energy: 0.7984325478216104
Energy: 0.8280098786219542
Energy: 0.6973844808330766
Energy: 0.7984325155222975
Energy: 0.684621611709343
Energy: 0.717245633882406
Energy: 0.6967158685744125
Energy: 0.6846217051451075
Energy: 0.7172456338808066
Energy: 0.6967158685744125
Energy: 0.6846213871249027
Energy: 0.7172456338818729
Energy: 0.6967158685744125
Energy: 0.6846214158155052
Energy: 0.6097590216531827
Energy: 0.8413589510852989
Energy: 0.8694469925316419
Energy: 0.6097590303413449
Energy: 0.841358951085832
Energy: 0.8694469926105198
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Energy: 0.8413589510863652
Energy: 0.8694469925748006
Energy: 0.6097590654484477
Energy: 0.733286427603016
Energy: 0.7079992957403735
Energy: 0.8333333395894752
Energy: 0.7332864275774503
Energy: 0.7079992957387741
Energy: 0.8333333395900082
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Energy: 0.7079992957409066
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Energy: 0.68526563540085
Energy: 0.73200478040286
Energy: 0.7249483881154241
Energy: 0.68526563540085
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Energy: 0.6852656353896543
Energy: 0.7315468697151555
Energy: 0.7249481839117478
Energy: 0.6852656353949856
Energy: 0.6886883154418484
Energy: 0.8169142598863922
Energy: 0.7096096246825019
Energy: 0.6886883142998743
Energy: 0.8169142598847927
Energy: 0.7094615647943154
Energy: 0.6886883157338787
Energy: 0.8169142598847927
Energy: 0.7096096246814356
Energy: 0.6886883164538129
Energy: 0.6232487968684677
Energy: 0.8587587179616445
Energy: 0.8451475472603807
Energy: 0.6101267274714366
Energy: 0.8587587179605783
Energy: 0.8451475472476101
Energy: 0.6232541230747213
Energy: 0.8587587179611115
Energy: 0.8451475471580697
Energy: 0.6101267274693041
Energy: 0.685890379480946
Energy: 0.6941630510841722
Energy: 0.7137535775537726
Energy: 0.7257662181078213
Energy: 0.6941630510847052
Energy: 0.6963306264843797
Energy: 0.6858905348764978
Energy: 0.6941630510847052
Energy: 0.7137535775548388
Energy: 0.7257662181072883
Energy: 0.7043053057448582
Energy: 0.5957085821789478
Energy: 0.8383297782031516
Energy: 0.7043053057448582
Energy: 0.5957056922180708
Energy: 0.8383297782031516
Energy: 0.7043053057453913
Energy: 0.5957073112069766
Energy: 0.8383297782042177
Energy: 0.7043053057453913
Energy: 0.7149990896373188
Energy: 0.6833633920404193
Energy: 0.7853305843787937
Energy: 0.7149990896394512
Energy: 0.6833633919759358
Energy: 0.7853305843787937
Energy: 0.7149990896394512
Energy: 0.6833633919983026
Energy: 0.7853305843777274
Energy: 0.7149990896383851
Energy: 0.6730705049051413
Energy: 0.7243175269435628
Energy: 0.7076924687016053
Energy: 0.6730705050149162
Energy: 0.7266931209193739
Energy: 0.7076924687303939
Energy: 0.6730705052318005
Energy: 0.72402317725768
Energy: 0.7076924689067609
Energy: 0.673070505517409
Energy: 0.603437585211185
Energy: 0.795779196961766
Energy: 0.7879274066652004
Energy: 0.603437585211718
Energy: 0.7957791969367334
Energy: 0.7879274071650518
Energy: 0.6034375852101187
Energy: 0.7957791970283822
Energy: 0.7879274049892796
Energy: 0.6034375852095855

minimum gb energy = 0.5957056922180708 eV
minimum distance =  2.61758401651407 Angstroms
sigma value = 41


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

Energy: 0.6567317062792641
Energy: 0.6465885089792709
Energy: 0.6719573076545118
Energy: 0.6113233081562673
Energy: 0.6465881058727293
Energy: 0.6719332902530198
Energy: 0.6567317062792641
Energy: 0.6446078593661031
Energy: 0.6719402582822928
Energy: 0.611323308156493
Energy: 0.7149921603283185
Energy: 0.5780583974220345
Energy: 0.7456026323285473
Energy: 0.714992153881261
Energy: 0.578058397399319
Energy: 0.7456026323341509
Energy: 0.7149921392994221
Energy: 0.5780583974408764
Energy: 0.745602632335392
Energy: 0.7149921244696671
Energy: 0.7257470623307274
Energy: 0.5528011943604211
Energy: 0.6935995267252517
Energy: 0.7277693638766363
Energy: 0.552801193955602
Energy: 0.6959487408873632
Energy: 0.7257470616922835
Energy: 0.5528011938854995
Energy: 0.6935995052663009
Energy: 0.7164779019712976
Energy: 0.5640393281227677
Energy: 0.5983096055759913
Energy: 0.5519232469667444
Energy: 0.5640393249331432
Energy: 0.5983096055890039
Energy: 0.5728931201609369
Energy: 0.5640393038293683
Energy: 0.5983096055815574
Energy: 0.5517497183565454
Energy: 0.5640393157506983
Energy: 0.6082078978618846
Energy: 0.6614451720328528
Energy: 0.5513290333778207
Energy: 0.6081061754053142
Energy: 0.6614451735095175
Energy: 0.5808180520468877
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Energy: 0.5513290330992913
Energy: 0.6085392975871853
Energy: 0.5456099254613787
Energy: 0.7835609145603721
Energy: 0.6236155135746358
Energy: 0.5456099254628077
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Energy: 0.6235959460095817
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Energy: 0.6235956847890352
Energy: 0.545609925461153
Energy: 0.6338627777601098
Energy: 0.6092083762795895
Energy: 0.6198864477416541
Energy: 0.6338624484694314
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Energy: 0.6198865125495766
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Energy: 0.6198865719789779
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Energy: 0.5863256120842547
Energy: 0.7084012970302355
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Energy: 0.5864655032414895
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Energy: 0.7084012150479239
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Energy: 0.7189386428481613
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Energy: 0.6472081749255999
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Energy: 0.6705296877876232
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Energy: 0.5804721920686717
Energy: 0.6705296877861565
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Energy: 0.5970508238110643
Energy: 0.5429841665822035
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Energy: 0.6651493596515188
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Energy: 0.6417191549787381
Energy: 0.6491462409465028
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Energy: 0.7212867814156477
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Energy: 0.5424925611356598
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Energy: 0.55645870595892
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Energy: 0.5564587059570395
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Energy: 0.5492746181934945
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Energy: 0.5778770945075753
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Energy: 0.5817380586997221
Energy: 0.5657804453901529
Energy: 0.6507688339361538
Energy: 0.5820750439172742
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Energy: 0.5733199301508165
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Energy: 0.5992699535154863
Energy: 0.7568727750973223
Energy: 0.6627923916577366
Energy: 0.5992649791381155
Energy: 0.7568727750977361
Energy: 0.6627923916579247
Energy: 0.5992635858640593
Energy: 0.7568727751010457
Energy: 0.6627923916598051
Energy: 0.5992611520603744
Energy: 0.6603429302391978
Energy: 0.6572764552247772
Energy: 0.6666899797072927
Energy: 0.6145016177137826
Energy: 0.6572764769996782
Energy: 0.6666899791721972
Energy: 0.6603429302404388
Energy: 0.6572764940053173
Energy: 0.666689978960912
Energy: 0.614501617679446
Energy: 0.7245199178854309
Energy: 0.5815281406222587
Energy: 0.6574308726974358
Energy: 0.724519963316867
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Energy: 0.6659842486675972
Energy: 0.7245198949622637
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Energy: 0.652451140621061
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Energy: 0.6060308621749937
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Energy: 0.6878763302278931
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Energy: 0.6273327739197357
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Energy: 0.6060307983462492
Energy: 0.6923067227458137
Energy: 0.7274533090895209
Energy: 0.5637558146940606
Energy: 0.6923069661351744
Energy: 0.7274533089476611
Energy: 0.5652515202390281
Energy: 0.6923071576189258
Energy: 0.7274533088813196
Energy: 0.5606344931212319
Energy: 0.6923074286184278
Energy: 0.5766445211341771
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Energy: 0.6036849191344221
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Energy: 0.6036849527936085
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Energy: 0.6036849558198611
Energy: 0.5748420061877896
Energy: 0.5799011695583771
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Energy: 0.5907744749505826
Energy: 0.5700367704937981
Energy: 0.5799013882609145
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Energy: 0.5700344229929781
Energy: 0.5799018394366856
Energy: 0.6515861473170943
Energy: 0.6049334667171987
Energy: 0.6100358508835036
Energy: 0.6515862076514719
Energy: 0.6049334667178005
Energy: 0.6096021494137218
Energy: 0.6515864423940848
Energy: 0.6049334667188536
Energy: 0.6085355010708465
Energy: 0.6515861890269321
Energy: 0.6409609473931835
Energy: 0.6132227975070568
Energy: 0.7074902204327373
Energy: 0.64096094739544
Energy: 0.6132227975048004
Energy: 0.7074902252429172
Energy: 0.6409609473776511
Energy: 0.6132227975143152
Energy: 0.7074902212971715
Energy: 0.6409609474107467
Energy: 0.6265936366491839
Energy: 0.667453011212542
Energy: 0.626829864948699
Energy: 0.6274144096976939
Energy: 0.6674611930580395
Energy: 0.6420769921998214
Energy: 0.6267859894589644
Energy: 0.6674463052095427
Energy: 0.6268298649991696
Energy: 0.6272138422313414
Energy: 0.5988388272606132
Energy: 0.7085498049557986
Energy: 0.6819365954579321
Energy: 0.5988410142732001
Energy: 0.7183516777553802
Energy: 0.6791252507960199
Energy: 0.5988432304920757
Energy: 0.7081247096240809
Energy: 0.6819354739376184
Energy: 0.5988479945177898
Energy: 0.554147965321451
Energy: 0.5988185191649865
Energy: 0.6120764347364226
Energy: 0.5541479612952981
Energy: 0.6089704849155957
Energy: 0.6009370979954497
Energy: 0.5541479596946001
Energy: 0.5987902487634922
Energy: 0.6120765260801961
Energy: 0.5541479576301502
Energy: 0.6084828181118556
Energy: 0.6271763169774608
Energy: 0.5593522636127362
Energy: 0.6084828174299737
Energy: 0.5748334044858499
Energy: 0.5593511745933387
Energy: 0.608482818080189
Energy: 0.6271764118577607
Energy: 0.5593511161780539
Energy: 0.6084828176156099
Energy: 0.6633891568239509
Energy: 0.6018416967093829
Energy: 0.6685887587950003
Energy: 0.6633891568229355
Energy: 0.5775119060122773
Energy: 0.6685887588210632
Energy: 0.6633891568225219
Energy: 0.6018416971636198
Energy: 0.6685887588177536
Energy: 0.6633891568241767
Energy: 0.7875341517058916
Energy: 0.6475956789795525
Energy: 0.55438419761455
Energy: 0.7875341517096149
Energy: 0.6475956779195159
Energy: 0.5543841976141364
Energy: 0.7875341517058916
Energy: 0.6475956774547486
Energy: 0.5543841976182733
Energy: 0.7875341517102166

minimum gb energy = 0.5424925576292954 eV
minimum distance =  2.52020372640965 Angstroms
sigma value = 185


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

Energy: 0.5066173009414943
Energy: 0.2920021504250202
Energy: 0.2920868732646592
Energy: 0.37700441119759087
Energy: 0.29200214825124565
Energy: 0.29219377086315407
Energy: 0.506617300940512
Energy: 0.2920021479451931
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Energy: 0.37700441119759087
Energy: 0.4325018744231038
Energy: 0.2872897128823409
Energy: 0.5657400788643253
Energy: 0.39916785511647923
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Energy: 0.5541370090863383
Energy: 0.4325018744223672
Energy: 0.28728971319794716
Energy: 0.5657400790277869
Energy: 0.399167855124582
Energy: 0.39312933235259223
Energy: 0.3051951615458122
Energy: 0.40372593060259576
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Energy: 0.3051951615463033
Energy: 0.36738841904890546
Energy: 0.3931293323697799
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Energy: 0.40451974025842563
Energy: 0.44162127125250433
Energy: 0.5984486471561775
Energy: 0.3971853347613687
Energy: 0.44162127125152223
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Energy: 0.41990879639576667
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Energy: 0.5982014679460473
Energy: 0.3971853347616143
Energy: 0.44162127125324097
Energy: 0.29249630491990036
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Energy: 0.3942882305688812
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Energy: 0.37505462569296427
Energy: 0.292496285771738
Energy: 0.6081471425502935
Energy: 0.39428823056863566
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Energy: 1.299871689377008
Energy: 0.5521440765204864
Energy: 0.3979993484042282
Energy: 1.299871689377008
Energy: 0.6274531247647982
Energy: 0.3935711392303771
Energy: 1.2998716893765168
Energy: 0.5521440803585207
Energy: 0.3979993484042282
Energy: 1.2998716893767626
Energy: 0.29284025964507426
Energy: 0.3840154284318195
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Energy: 0.29284026198621677
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Energy: 0.29284025467292
Energy: 0.6770778349784383
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Energy: 0.3018390760939307
Energy: 0.6700157575815017
Energy: 0.4026596812033998
Energy: 0.30188283425497253
Energy: 0.6715807446601949
Energy: 0.41334203499718997
Energy: 0.30197067948442674
Energy: 0.6729832960134289
Energy: 0.3275693912410511
Energy: 0.40578631114567904
Energy: 0.29245505526257565
Energy: 0.3944174852048726
Energy: 0.37847884460382647
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Energy: 0.3275693127990949
Energy: 0.4057863111469067
Energy: 0.2924550552255216
Energy: 0.39441729804231523
Energy: 0.4075266327100917
Energy: 0.37922309988317293
Energy: 0.28850293658874754
Energy: 0.35128939037031665
Energy: 0.3544093163734788
Energy: 0.28850293658874754
Energy: 0.4075266325694651
Energy: 0.37922309988317293
Energy: 0.28850293658825643
Energy: 0.35128938624294864
Energy: 0.3850107173469795
Energy: 0.4491971614993262
Energy: 0.30278200364235375
Energy: 0.3772542789271964
Energy: 0.4491971614988351
Energy: 0.3027820036421082
Energy: 0.38501071734722503
Energy: 0.4491971614988351
Energy: 0.3027820036416171
Energy: 0.3772542789271964
Energy: 0.33045070137473004
Energy: 0.2920021494742282
Energy: 0.2920583101467857
Energy: 0.366237402717408
Energy: 0.2920021484743509
Energy: 0.2921943102150409
Energy: 0.3304507013752211
Energy: 0.2920021474271069
Energy: 0.29209961853046473
Energy: 0.36623740271765354
Energy: 0.3850751322205367
Energy: 0.2872897121907037
Energy: 0.524347561645073
Energy: 0.37896756740123805
Energy: 0.2872897122098557
Energy: 0.45125906223582796
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Energy: 0.28728971264032926
Energy: 0.5243509833518356
Energy: 0.37896756740222015
Energy: 0.4062855572692593
Energy: 0.30519516154605775
Energy: 0.3521854943843516
Energy: 0.3498656676760174
Energy: 0.30519516154507564
Energy: 0.3800468570109278
Energy: 0.4062855573161348
Energy: 0.30519516154507564
Energy: 0.35218546082506685
Energy: 0.34986566769787036
Energy: 0.4416212712520132
Energy: 0.6214198285156862
Energy: 0.40990072137858596
Energy: 0.4416212712522588
Energy: 0.6214346212473973
Energy: 0.40537677426603685
Energy: 0.44162127125250433
Energy: 0.5996534836444591
Energy: 0.40990072137858596
Energy: 0.4416212712537321
Energy: 0.29249634129060076
Energy: 0.6081425095192659
Energy: 0.40420281526188834
Energy: 0.29249632805040676
Energy: 0.6081322229499638
Energy: 0.4129144947223695
Energy: 0.2924963266215067
Energy: 0.6081166324180939
Energy: 0.4042028152621339
Energy: 0.29249631491967826
Energy: 1.2998716893767626
Energy: 0.48624676982161597
Energy: 0.393235786369834
Energy: 1.2998716893767626
Energy: 0.5248318113108273
Energy: 0.4177515415535567
Energy: 1.2998716893765168
Energy: 0.4862435801782521
Energy: 0.39323578636762413
Energy: 1.2998716893762714
Energy: 0.2928403098623818
Energy: 0.38656363371015395
Energy: 0.7594188387757507
Energy: 0.29284030647964276
Energy: 0.3756437622751826
Energy: 0.7594188387953937
Energy: 0.29284031710181607
Energy: 0.3865636337096629
Energy: 0.7594188387997911
Energy: 0.292840307329563
Energy: 0.6907089623550545
Energy: 0.3763904941625739
Energy: 0.30192504339305215
Energy: 0.6897641494341389
Energy: 0.39506774938006695
Energy: 0.3019284230187151
Energy: 0.6793525637593919
Energy: 0.3763904941615917
Energy: 0.3019143572373013
Energy: 0.6813171402377188
Energy: 0.3738227283191767
Energy: 0.3872411851836981
Energy: 0.29245505519532033
Energy: 0.3833828452094166
Energy: 0.40122458995694776
Energy: 0.2924550551538467
Energy: 0.373822316155711
Energy: 0.3872411851836981
Energy: 0.29245505515212794
Energy: 0.38338448262944735
Energy: 0.3925878743835581
Energy: 0.36744388901003416
Energy: 0.2885029365892386
Energy: 0.40592455947668055
Energy: 0.37867206085464683
Energy: 0.28850293658850196
Energy: 0.3925878743896742
Energy: 0.36744388900929753
Energy: 0.28850293658874754
Energy: 0.405924555126185
Energy: 0.43169982154528197
Energy: 0.4491971614988351
Energy: 0.3027820036421082
Energy: 0.40403244849737785
Energy: 0.4491971614983441
Energy: 0.3027820036421082
Energy: 0.431699821545773
Energy: 0.4491971614988351
Energy: 0.3027820036416171
Energy: 0.4040324484976233
Energy: 0.5066173009419853
Energy: 0.2920021499756401
Energy: 0.2920994650722607
Energy: 0.37700441119783645
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Energy: 0.2921503049683773
Energy: 0.5066173009402665
Energy: 0.29200214791403206
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Energy: 0.37700441119759087
Energy: 0.43250187442285826
Energy: 0.28728971189054403
Energy: 0.5657400756968342
Energy: 0.3991678551483992
Energy: 0.28728971192197295
Energy: 0.5541710196126836
Energy: 0.4325018744226128
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Energy: 0.5657400759042026
Energy: 0.3991678551395599
Energy: 0.393129330405606
Energy: 0.3051951615458122
Energy: 0.40372593060161355
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Energy: 0.30519516154532117
Energy: 0.36738841904915104
Energy: 0.39312933044707965
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Energy: 0.40372593060357786
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Energy: 0.4416212712529954
Energy: 0.6021774625159315
Energy: 0.39718533476382406
Energy: 0.44162127125250433
Energy: 0.6018452123784193
Energy: 0.4199087963952756
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Energy: 0.5921457401126827
Energy: 0.3971853347648062
Energy: 0.44162127125152223
Energy: 0.292496343636654
Energy: 0.6081678655020379
Energy: 0.39428823056863566
Energy: 0.2924963421765929
Energy: 0.6081545618493318
Energy: 0.3750546256927187
Energy: 0.292496326714298
Energy: 0.6081430180258272
Energy: 0.39428823056814455
Energy: 0.29249633741232045
Energy: 1.2998716893767626
Energy: 0.5521440972683543
Energy: 0.39799934840398266
Energy: 1.299871689377008
Energy: 0.6274530976826401
Energy: 0.3935711392308682
Energy: 1.2998716893774989
Energy: 0.5521441017349225
Energy: 0.3979993484042282
Energy: 1.2998716893774989
Energy: 0.29284031982952546
Energy: 0.3840154284318195
Energy: 0.7594188387759961
Energy: 0.2928403063745969
Energy: 0.38509948792276344
Energy: 0.7594188387914651
Energy: 0.2928403287123488
Energy: 0.3840154284330472
Energy: 0.7594188387767328
Energy: 0.29284030832428404
Energy: 0.6631582959060788
Energy: 0.4133420349979266
Energy: 0.30187456985390243
Energy: 0.6680913410435881
Energy: 0.4026596812053641
Energy: 0.3018093974745693
Energy: 0.6684402131990241
Energy: 0.41334203499620786
Energy: 0.3017978526101824
Energy: 0.6865269176776568
Energy: 0.32756793550731067
Energy: 0.40578631114592456
Energy: 0.2924550551062346
Energy: 0.3944187217232164
Energy: 0.378478844604072
Energy: 0.29245505506083225
Energy: 0.32756748364783916
Energy: 0.40578631114666114
Energy: 0.29245505506598857
Energy: 0.3944179661396274
Energy: 0.40752663245656207
Energy: 0.3792230998839095
Energy: 0.28850293659019843
Energy: 0.35128939484891625
Energy: 0.3544093160468009
Energy: 0.28850293658899306
Energy: 0.40752663237852543
Energy: 0.37922309988341846
Energy: 0.28850293658850196
Energy: 0.3512894001578154
Energy: 0.38501071734722503
Energy: 0.4491971614995718
Energy: 0.30278200364235375
Energy: 0.3772542789276875
Energy: 0.4491971614988351
Energy: 0.30278200364235375
Energy: 0.38501071734747055
Energy: 0.4491971614988351
Energy: 0.3027820036418627
Energy: 0.377254278927933

minimum gb energy = 0.28728971189054403 eV
minimum distance =  2.64485792962176 Angstroms
sigma value = 33


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

Energy: 0.5243137684195704
Energy: 0.6662582864085616
Energy: 0.5875575438208946
Energy: 0.5129760744562395
Energy: 0.6662582867022647
Energy: 0.5875720730376666
Energy: 0.5243133407137835
Energy: 0.6662582869245761
Energy: 0.5875546527820901
Energy: 0.5158561410137011
Energy: 0.5818084402349843
Energy: 0.49388939516416147
Energy: 0.5901586421501613
Energy: 0.5818084332032155
Energy: 0.4939519068841011
Energy: 0.590158636384914
Energy: 0.5818084175053904
Energy: 0.4941048793700563
Energy: 0.5901586387872065
Energy: 0.5818083929002774
Energy: 0.601544552441931
Energy: 0.5592258847924396
Energy: 0.5996768676252371
Energy: 0.6015446923414567
Energy: 0.5593064391304253
Energy: 0.5996768675861469
Energy: 0.6015443789263355
Energy: 0.5592441629454056
Energy: 0.5996768677707408
Energy: 0.5443187887731293
Energy: 0.630669518244896
Energy: 0.5522529793170322
Energy: 0.581394759583118
Energy: 0.6306695182435482
Energy: 0.5522504578733141
Energy: 0.5814692720308878
Energy: 0.6306695182408524
Energy: 0.5522481881554653
Energy: 0.5770097134737634
Energy: 0.6306695182381565
Energy: 0.59253046091533
Energy: 0.5667403270092372
Energy: 0.5112770089681583
Energy: 0.5925286613686641
Energy: 0.5667395065179963
Energy: 0.5112484324289737
Energy: 0.592527284835005
Energy: 0.5667340549195532
Energy: 0.5112394050919659
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Energy: 0.5416966239574872
Energy: 0.5824724954360379
Energy: 0.5879002778340909
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Energy: 0.582228050801053
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Energy: 0.5873751672107644
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Energy: 0.5777913350075884
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Energy: 0.6150830837886915
Energy: 0.5005956403437438
Energy: 0.5837428275024041
Energy: 0.618768350511784
Energy: 0.49631910332710966
Energy: 0.5837427879755345
Energy: 0.6176553896123893
Energy: 0.5005955889939748
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Energy: 0.5185335251826537
Energy: 0.5819655327053447
Energy: 0.604077226281903
Energy: 0.5185335344361653
Energy: 0.5826475121790134
Energy: 0.6101890151640356
Energy: 0.5185335435980662
Energy: 0.5819655304337282
Energy: 0.604077226365426
Energy: 0.5185335476872402
Energy: 0.49633370330254134
Energy: 0.608417777767654
Energy: 0.561171260025908
Energy: 0.49633372156301464
Energy: 0.6123863973227447
Energy: 0.5584776803115665
Energy: 0.49633371974276097
Energy: 0.6084175738655229
Energy: 0.5566091165089163
Energy: 0.49633373317708185
Energy: 0.5820672526725288
Energy: 0.586692949165642
Energy: 0.5468031310456871
Energy: 0.5820672527048794
Energy: 0.5866929493879536
Energy: 0.5484386074681625
Energy: 0.5820672526509865
Energy: 0.5866929491117492
Energy: 0.5498423492353459
Energy: 0.5820672526954438
Energy: 0.6161586285957906
Energy: 0.5035489383910827
Energy: 0.6472798961040167
Energy: 0.6161580012360542
Energy: 0.5035231545430885
Energy: 0.6472798960609071
Energy: 0.6161562989456396
Energy: 0.5017818380711635
Energy: 0.6472798961040167
Energy: 0.6161544602749901
Energy: 0.5900030625917588
Energy: 0.5863829728852747
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Energy: 0.5997708760269069
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Energy: 0.6654277420569951
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Energy: 0.6300248295317856
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Energy: 0.5997732558492449
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Energy: 0.665427750146404
Energy: 0.5997662819849725
Energy: 0.5989610176669931
Energy: 0.5730323041681691
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Energy: 0.572285681664709
Energy: 0.5757991710076392
Energy: 0.5989494045050386
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Energy: 0.5759608003287714
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Energy: 0.5942621422859804
Energy: 0.5825342868980896
Energy: 0.573238389240299
Energy: 0.5901313464470408
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Energy: 0.5732422747750201
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Energy: 0.5825342867606492
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Energy: 0.5964495601615767
Energy: 0.554760936738274
Energy: 0.6285191445241384
Energy: 0.5964509358194691
Energy: 0.5547609380842745

minimum gb energy = 0.48910501296545505 eV
minimum distance =  2.49177042676018 Angstroms
sigma value = 219


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

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Energy: 0.7331935750106863
Energy: 0.7363594418835637
Energy: 0.5753489723357688
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Energy: 0.7469303106425592
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Energy: 0.6318070889991586
Energy: 0.6736096424693626
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Energy: 0.6736096424702547
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Energy: 0.7063480160783503
Energy: 0.7003754746628594
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Energy: 0.7063480160783503
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Energy: 0.7923887533738938
Energy: 0.7098285913041489
Energy: 0.706176253986684
Energy: 0.79238875337657
Energy: 0.7098285886210595

minimum gb energy = 0.5753489723357688 eV
minimum distance =  2.57606209485202 Angstroms
sigma value = 15


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

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Energy: 0.846007472566954
Energy: 0.6344507847729821
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minimum gb energy = 0.62102633784485 eV
minimum distance =  2.50669765096491 Angstroms
sigma value = 293


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

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Energy: 0.7054189891378387
Energy: 0.7225493749717413
Energy: 0.6369083304040382
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Energy: 0.6626339205085986
Energy: 0.799658325896064
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Energy: 0.6434326503108669
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Energy: 0.6399560645666638
Energy: 0.6264742209598344
Energy: 0.7666514530382955
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Energy: 0.6181088688166425
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Energy: 0.7082215799879232
Energy: 0.7727463105200554
Energy: 0.6663713725431231
Energy: 0.7616006115268965
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Energy: 0.7727463105196524
Energy: 0.6663713733062644
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Energy: 0.7727463105184433
Energy: 0.6577489872599879
Energy: 0.6518615212235234
Energy: 0.7524996977519808
Energy: 0.6577489816544883
Energy: 0.6331763513379178
Energy: 0.7524996964782527
Energy: 0.6577489781531414
Energy: 0.6386986484225831
Energy: 0.7524996996210913
Energy: 0.6577489729760341
Energy: 0.7029105654721325
Energy: 0.6207230461082697
Energy: 0.6209361672811333
Energy: 0.7029105654715281
Energy: 0.6207230461136918
Energy: 0.6209361672668269
Energy: 0.7029105654723341
Energy: 0.6207230460808654
Energy: 0.6209361672811333
Energy: 0.7029105654721325
Energy: 0.6565815040150721
Energy: 0.7806642639769695
Energy: 0.7912715355860656
Energy: 0.6565815040148707
Energy: 0.7806642639966984
Energy: 0.7912715355860656
Energy: 0.6565815040150721
Energy: 0.78066426410648
Energy: 0.7912715355858642
Energy: 0.6565815040148707
Energy: 0.8054124581267877
Energy: 0.694343094068436
Energy: 0.6796928918102629
Energy: 0.8054124581263847
Energy: 0.6943431289181744
Energy: 0.6796928922312181
Energy: 0.8054124581263847
Energy: 0.694343165766131
Energy: 0.6796928918116734
Energy: 0.8054124581275937
Energy: 0.7054189891372343
Energy: 0.7225493751747634
Energy: 0.6369099647777291
Energy: 0.7054189891402568
Energy: 0.7225493752051718
Energy: 0.6369084939597546
Energy: 0.7054189891382417
Energy: 0.7225493752210904
Energy: 0.6369078834499498
Energy: 0.7054189891392494
Energy: 0.6626339203313688
Energy: 0.7996583258958625
Energy: 0.61316712235629
Energy: 0.6626339202926987
Energy: 0.7996583258956611
Energy: 0.613167101304099
Energy: 0.6626339202816162
Energy: 0.79965832589687
Energy: 0.6131670730961281
Energy: 0.662633920271541

minimum gb energy = 0.6131670730961281 eV
minimum distance =  2.50762893944926 Angstroms
sigma value = 293


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

Energy: 0.6272079751811769
Energy: 0.6488973191348749
Energy: 0.627095003578112
Energy: 0.6272079737523507
Energy: 0.6156228843819911
Energy: 0.6270950035792047
Energy: 0.6272079720661728
Energy: 0.626177430308459
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Energy: 0.6272079706766629
Energy: 0.6633868161875657
Energy: 0.5983649045723709
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Energy: 0.5983649045436163
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Energy: 0.6302612709648274
Energy: 0.6137735824449677
Energy: 0.6900566263985278
Energy: 0.6302612768999887
Energy: 0.6122614465491703
Energy: 0.6900566263526727
Energy: 0.6302612883247382
Energy: 0.6128214202920297
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Energy: 0.6302612945940624
Energy: 0.7740018070113405
Energy: 0.624269154799176
Energy: 0.7225745696438889
Energy: 0.7740018070117045
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Energy: 0.5983649045796547
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Energy: 0.5983649045246783
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Energy: 0.6633868161893867
Energy: 0.598364904518487
Energy: 0.6650960249337008
Energy: 0.6633868161897509
Energy: 0.5983649044831769
Energy: 0.6139425137731004
Energy: 0.6900566264942773
Energy: 0.6302612754118321
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Energy: 0.6302612932606215
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Energy: 0.7225745696537221
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Energy: 0.6650960249340649
Energy: 0.6633868161904792
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Energy: 0.5983649046069527
Energy: 0.6650960249344291
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Energy: 0.6873065792540279
Energy: 0.6088579647639403
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Energy: 0.6088579647646686
Energy: 0.6487450662221185
Energy: 0.6873065792540279
Energy: 0.6088579647639403
Energy: 0.6487450663517049
Energy: 0.6272079818418426
Energy: 0.6086368915620604
Energy: 0.6270950036192493
Energy: 0.6272079803769943
Energy: 0.6247532246757062
Energy: 0.6270950036185209
Energy: 0.6272079785870548
Energy: 0.6247036175057253
Energy: 0.6270950036199775
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Energy: 0.6633868161904792
Energy: 0.5983649045945701
Energy: 0.6650960249344291
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Energy: 0.5983649046047674
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Energy: 0.6633868161926644
Energy: 0.5983649046022181
Energy: 0.6650960249340649
Energy: 0.6633868161915718
Energy: 0.6302612087851123
Energy: 0.6149252971476965
Energy: 0.6900566267661966
Energy: 0.6302612189881617
Energy: 0.6149001898729882
Energy: 0.6900566266460794
Energy: 0.6302612269254873
Energy: 0.6149093097933587
Energy: 0.6900566266406165
Energy: 0.6302612374547208
Energy: 0.7740018070266365
Energy: 0.6242691547387367
Energy: 0.7225745696824767
Energy: 0.7740018070255439
Energy: 0.6242691547634852
Energy: 0.7225745696741002
Energy: 0.7740018070251796
Energy: 0.6242691548180974
Energy: 0.7225745696737361
Energy: 0.7740018070073343
Energy: 0.6873065792543922
Energy: 0.6088579647650328
Energy: 0.6487450661143672
Energy: 0.6873065792543922
Energy: 0.6088579647646686
Energy: 0.64874506613948
Energy: 0.6873065792543922
Energy: 0.6088579647646686
Energy: 0.6487450661445786
Energy: 0.6873065792543922
Energy: 0.6279092919179807
Energy: 0.6270950036279899
Energy: 0.6272079837792138
Energy: 0.6225571097672709
Energy: 0.6270950036363662
Energy: 0.6272079819244811
Energy: 0.6001398767108569
Energy: 0.6270950036374588
Energy: 0.6272079807046186
Energy: 0.6260654822436912
Energy: 0.5983649046229605
Energy: 0.6650960249340649
Energy: 0.6633868161933928
Energy: 0.59836490457055
Energy: 0.6650960249340649
Energy: 0.6633868161933928
Energy: 0.5983649045654512
Energy: 0.6650960249344291
Energy: 0.6633868161941211
Energy: 0.5983649045454372

minimum gb energy = 0.5983649044831769 eV
minimum distance =  2.58886851689525 Angstroms
sigma value = 15


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

Energy: 0.6441376017446099
Energy: 0.7252612750956917
Energy: 0.7544363764510013
Energy: 0.6396063190972967
Energy: 0.7252677599284241
Energy: 0.7544363761968861
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Energy: 0.725270173546817
Energy: 0.7544363760401127
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Energy: 0.7578265242915161
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Energy: 0.6658582378532506
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Energy: 0.6889754159096988
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Energy: 0.6874241632349695
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Energy: 0.7454512774213656
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Energy: 0.6811373554756495
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Energy: 0.7454512846589071
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Energy: 0.7302913798961606
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Energy: 0.7083139178503184
Energy: 0.7302899594855292
Energy: 0.6164936130758188
Energy: 0.7083122721568759
Energy: 0.7302905216719687
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Energy: 0.6902557590747623
Energy: 0.7230684272183113
Energy: 0.739572666821909
Energy: 0.6893345202778552
Energy: 0.723068367253662
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Energy: 0.6893348823494865
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Energy: 0.7453445765266989
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Energy: 0.7445238328562266
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Energy: 0.6762236371313523
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Energy: 0.7509711659200642
Energy: 0.6082987717498683
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Energy: 0.6187030278253868
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Energy: 0.7900252850298851
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Energy: 0.7324859390341444
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Energy: 0.7055742829504031
Energy: 0.7116222119417848
Energy: 0.7324859390457004
Energy: 0.7083234993390025
Energy: 0.672031351940536
Energy: 0.6407251107121904
Energy: 0.8208522214357672
Energy: 0.7129112966718387
Energy: 0.6407251107121904
Energy: 0.8208522143483957
Energy: 0.7129112981949393
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Energy: 0.8208521979690697
Energy: 0.7129113001123896
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Energy: 0.7311245729736795
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Energy: 0.7936286489883709
Energy: 0.7307735299100026
Energy: 0.6085458964424892
Energy: 0.7936286502787876
Energy: 0.7287476096724121
Energy: 0.6085460936299297
Energy: 0.7936286516748005
Energy: 0.7309677473920173
Energy: 0.7457287218250934
Energy: 0.7143208385664545
Energy: 0.641682526714007
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Energy: 0.6299560766672686
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Energy: 0.6299560739643303
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Energy: 0.6999614517721783
Energy: 0.6861939545557958
Energy: 0.6770004617297997
Energy: 0.6999614518645675
Energy: 0.6861939531795634
Energy: 0.6770004617116699
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Energy: 0.6861939546267536
Energy: 0.6770004622529181
Energy: 0.6999614523398103
Energy: 0.7884725401567333
Energy: 0.7025338161686735
Energy: 0.6394923407665649
Energy: 0.7884725386220767
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Energy: 0.7884725423283289
Energy: 0.7025338161736262
Energy: 0.6394923407665649
Energy: 0.7884725395758643
Energy: 0.6197814352929759
Energy: 0.692378387634643
Energy: 0.7071089999951302
Energy: 0.6197814332402136
Energy: 0.6932268396436271
Energy: 0.7071090075874603
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Energy: 0.6911763491992774
Energy: 0.7071090044802368
Energy: 0.619781432530636
Energy: 0.6972670407794077
Energy: 0.7138445141920244
Energy: 0.7361020787198532
Energy: 0.6972670759060798
Energy: 0.6439179305168632
Energy: 0.7341739839978216
Energy: 0.6972658249637385
Energy: 0.7138445141920244
Energy: 0.736102264790278
Energy: 0.6972667438357433
Energy: 0.794915634767828
Energy: 0.623258325234787
Energy: 0.7208014929702632
Energy: 0.794915634767828
Energy: 0.6232583251803381
Energy: 0.7208014927672952
Energy: 0.7949156347694788
Energy: 0.6232583251588766
Energy: 0.7208014925544519
Energy: 0.794915634767828
Energy: 0.6484396257565225
Energy: 0.7987393821518665
Energy: 0.6512260487274599
Energy: 0.6484396257746822
Energy: 0.7988374748374961
Energy: 0.6512260488281035
Energy: 0.6484396257548716
Energy: 0.7988289141546994
Energy: 0.6512260486548515
Energy: 0.6484396257383929
Energy: 0.743348657968199
Energy: 0.6158911837887876
Energy: 0.8188396722270512
Energy: 0.7433488184729093
Energy: 0.6113759474603068
Energy: 0.8188396722270512
Energy: 0.7433487308864815
Energy: 0.615891183797042
Energy: 0.8188396722287021
Energy: 0.7433487548862026
Energy: 0.7240246060696757
Energy: 0.6501523665196112
Energy: 0.6995014516688689
Energy: 0.7240246058023533
Energy: 0.650152747470569
Energy: 0.6994994801492226
Energy: 0.7240246052891703
Energy: 0.6501528017009368
Energy: 0.6994968194825965
Energy: 0.724024606188509
Energy: 0.6915426926718111
Energy: 0.6679743358220394
Energy: 0.6139634752545703
Energy: 0.6915437388756537
Energy: 0.6679743168453712
Energy: 0.6159753119389065
Energy: 0.6915473335510396
Energy: 0.667974338925961
Energy: 0.6139634773948291
Energy: 0.6915494092064204
Energy: 0.6411094664883477
Energy: 0.6461925551849798
Energy: 0.7846069545627713
Energy: 0.6411094664866968
Energy: 0.6461925550925907
Energy: 0.7846069545578187
Energy: 0.6411094664866968
Energy: 0.6461925550975434
Energy: 0.7846069545495643
Energy: 0.6411094664866968
Energy: 0.6886887462417167
Energy: 0.7465601798107075
Energy: 0.7166341743165676
Energy: 0.6649251483973224
Energy: 0.7465601798107075
Energy: 0.7166341757076579
Energy: 0.6886777161425149
Energy: 0.7465601798123583
Energy: 0.7166341758875135
Energy: 0.6702902558682091

minimum gb energy = 0.6069299230246188 eV
minimum distance =  2.52354399855593 Angstroms
sigma value = 437


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

Energy: 0.6197409437962953
Energy: 0.6928152480770208
Energy: 0.7471623782294083
Energy: 0.6197416386871385
Energy: 0.6928126194030706
Energy: 0.7471623782348212
Energy: 0.6197436494611736
Energy: 0.6928114116517454
Energy: 0.7471623781043626
Energy: 0.6197434167221395
Energy: 0.8494570482045747
Energy: 0.6122533282244746
Energy: 0.6760189132920275
Energy: 0.8494571544848414
Energy: 0.6122533282431195
Energy: 0.6760196524769793
Energy: 0.8494570725858841
Energy: 0.6122533283146638
Energy: 0.6760201253038728
Energy: 0.84945719999332
Energy: 0.690993107854239
Energy: 0.6128671299070897
Energy: 0.7738085350889758
Energy: 0.6909931078536375
Energy: 0.6128671299058869
Energy: 0.7705485788495232
Energy: 0.690993107854239
Energy: 0.6128671299064883
Energy: 0.7579228721787444
Energy: 0.6872798331883786
Energy: 0.7038437192147734
Energy: 0.8213374954613599
Energy: 0.6995087708818225
Energy: 0.7038437676942761
Energy: 0.8213374954619614
Energy: 0.6995087718274564
Energy: 0.7038438549575124
Energy: 0.8213374954607585
Energy: 0.699508770911266
Energy: 0.703843890159428
Energy: 0.7256865797610315
Energy: 0.6182671057820894
Energy: 0.850898536117032
Energy: 0.7256865479545678
Energy: 0.61826710574182
Energy: 0.8508985355128541
Energy: 0.7256864435860455
Energy: 0.6182671054412346
Energy: 0.8508985365619093
Energy: 0.7256864040742916
Energy: 0.7601758264329571
Energy: 0.7184146056140334
Energy: 0.6072963982851884
Energy: 0.7601758264323558
Energy: 0.7184146145889995
Energy: 0.6072963981715428
Energy: 0.7601758264335587
Energy: 0.7184146180776207
Energy: 0.6072963982857899
Energy: 0.7601758264365658
Energy: 0.7151232609421705
Energy: 0.7504932263990753
Energy: 0.5950235389567878
Energy: 0.6932943608889268
Energy: 0.7504932263984738
Energy: 0.5950235389567878
Energy: 0.6839254255486403
Energy: 0.7504932263990753
Energy: 0.5950235389585922
Energy: 0.6932945824965719
Energy: 0.6877608996765893
Energy: 0.7608165775550485
Energy: 0.7037402096835396
Energy: 0.6877608995178628
Energy: 0.760816577554447
Energy: 0.7037402094430713
Energy: 0.6877608994559414
Energy: 0.760816577554447
Energy: 0.7037402094581073
Energy: 0.6877608993772069
Energy: 0.915973812081624
Energy: 0.719453018736304
Energy: 0.6301026874699108
Energy: 0.9159738120810225
Energy: 0.7194530187369053
Energy: 0.6301026874512934
Energy: 0.9159738120804211
Energy: 0.719453018736304
Energy: 0.6301026869462992
Energy: 0.9159738120804211
Energy: 0.6817112191322525
Energy: 0.708551766101611
Energy: 0.6746508258152238
Energy: 0.6817112191322525
Energy: 0.7034022119740426
Energy: 0.6736988571437464
Energy: 0.6817112191322525
Energy: 0.7030293538013562
Energy: 0.6738456849845137
Energy: 0.6817112191322525
Energy: 0.7359053284382943
Energy: 0.696566610104789
Energy: 0.7066948559411627
Energy: 0.7359053284376927
Energy: 0.6965666101041876
Energy: 0.706694855953793
Energy: 0.7359053284388957
Energy: 0.6965666101041876
Energy: 0.6942556983080345
Energy: 0.7359053284376927
Energy: 0.852960202693196
Energy: 0.6074430371543841
Energy: 0.8092041146709037
Energy: 0.8529602026937976
Energy: 0.607443037126745
Energy: 0.8092041146703021
Energy: 0.852960202693196
Energy: 0.6074430371255422
Energy: 0.8092041146715051
Energy: 0.852960202693196
Energy: 0.6345595877124875
Energy: 0.637151379296829
Energy: 0.6297730080973664
Energy: 0.634559587718502
Energy: 0.6337284139374267
Energy: 0.6297730078803545
Energy: 0.6345595877209077
Energy: 0.6359504677124664
Energy: 0.6297730074222455
Energy: 0.6345595877269221
Energy: 0.7297640672976298
Energy: 0.6401747736360346
Energy: 0.8412472031026622
Energy: 0.7297640672976298
Energy: 0.6401747736366361
Energy: 0.841247203103865
Energy: 0.7297640672982313
Energy: 0.6401747736360346
Energy: 0.8412472031044665
Energy: 0.7297640672982313

minimum gb energy = 0.5950235389567878 eV
minimum distance =  2.49873126697865 Angstroms
sigma value = 33