Model name: model_name=Sim_LAMMPS_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.519999980926514
cohesive_energy=4.450349977697172
mass=58.6934
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=[2.01859836294294e-19, 2.95082483743584e-19, 3.6110978500735796e-19, 4.1326063444405797e-19, 4.56549844918104e-19, 4.93415929266444e-19, 5.25268802926998e-19, 5.53024910934414e-19, 5.773315326488279e-19, 5.98678934120244e-19, 6.1744202468101795e-19, 6.33922013538342e-19, 6.483592271873159e-19, 6.609555398838239e-19, 6.718775779978019e-19, 6.812647308964079e-19, 6.892435705337279e-19, 6.95915034037704e-19, 7.01372047653108e-19, 7.0569472021164e-19, 7.089567518384639e-19, 7.112190252456719e-19, 7.1253921879208805e-19, 7.1296860213e-19, 7.125071752594079e-19, 7.11017150989788e-19, 7.08319085538132e-19, 7.04195082882216e-19, 6.983903969372339e-19, 6.905974097894579e-19, 6.804492229897019e-19, 6.67494022727178e-19, 6.5118867112296e-19, 6.308666626973039e-19, 6.057028764837e-19, 5.746719194363879e-19, 5.364888458949e-19, 4.895290487523599e-19, 4.3171290273783596e-19, 3.60351955459476e-19, 2.71927827029016e-19, 1.6177177473497999e-19, 2.3577631345944e-20, -1.5130555587337498e-19, -3.7501347383721e-19, -6.649577771155559e-19, -1.04684619088926e-18, -1.55988718174557e-18, -2.26624680526032e-18, -3.2694176611067397e-18, -4.7522161141074e-18, -6.32933470555164e-18, -7.214825687630759e-18, -8.707028917472999e-18]
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: 0.02048007269799979
Energy: 0.16977414859816542
Energy: 0.17051962551882144
Energy: 0.17019120678200458
Energy: 0.02624717093174743
Energy: 0.02241866061686034
Energy: 0.16940724136828628
Energy: 0.17124562261450868
Energy: 0.1694289490740938
Energy: 0.025085316317694985
Energy: 1.6263078260339137
Energy: 0.16752541812734523
Energy: 0.16924566733119537
Energy: 0.1689476319388174
Energy: 0.17156945684044944
Energy: 1.5400580262613193
Energy: 0.16755555893060353
Energy: 0.16912312114213554
Energy: 0.16955260473013634
Energy: 0.17069930727840094
Energy: 0.17187649675593286
Energy: 0.02644240306181327
Energy: 0.02108712080830978
Energy: 0.16874409501095364
Energy: 0.16787412414275146
Energy: 0.17092658227265095
Energy: 0.024864559394489488
Energy: 0.020993189638162324
Energy: 0.16796379411357212
Energy: 0.16968436661525033
Energy: 0.1697049811766991
Energy: 0.02275342520441609
Energy: 0.022287586264193304
Energy: 0.16767170011825788
Energy: 0.16805996048545835
Energy: 0.17067751189739866
Energy: 0.02215340843077461
Energy: 0.021276407292665313
Energy: 0.16732551333726944
Energy: 0.16934241027498426
Energy: 0.16926749291003074
Energy: 0.1692013352914359
Energy: 0.1716224625651842
Energy: 0.023061302193811486
Energy: 0.021730442606024733
Energy: 0.16887758524941726
Energy: 0.17011392978949982
Energy: 0.17164312097566475
Energy: 0.024547252017341346
Energy: 0.16711178635937238
Energy: 0.170940218326912
Energy: 0.16837339211077826
Energy: 0.16982279708057163
Energy: 0.02209018925482286
Energy: 0.021199009813641822
Energy: 0.17110399139869473
Energy: 1.1104724874731724
Energy: 0.17066517752411997
Energy: 0.022011287015318754
Energy: 0.02115307856744091
Energy: 0.021132346510923588
Energy: 0.17232587899154547
Energy: 0.16887684436479827
Energy: 0.170896413872923
Energy: 1.9075657392789918
Energy: 0.021205875600148003
Energy: 0.173311976373655
Energy: 0.1696498113452795
Energy: 0.17216703144085707
Energy: 1.6113723464386696

minimum gb energy = 0.02048007269799979 eV
minimum distance =  0.000474027765288522 Angstroms
sigma value = 3


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

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Energy: 1.4970780242639274
Energy: 1.4126077989491086
Energy: 1.4137915271458605
Energy: 1.507224538939955
Energy: 1.6879308104751325
Energy: 1.3871749878046338
Energy: 1.4144754841546163
Energy: 1.4139120917987222
Energy: 1.4885317686273196
Energy: 1.4035718974710716
Energy: 1.6407780940307877
Energy: 1.4175151798511636
Energy: 1.4816144385866394
Energy: 1.1556906882348483
Energy: 1.1491563177482682
Energy: 1.645119874193197
Energy: 1.4323545268117368
Energy: 1.4996740323796345
Energy: 1.3292602756609637
Energy: 1.3923403650897286
Energy: 1.4688277376996985
Energy: 1.2339392343611841
Energy: 1.3915707325799238
Energy: 1.4027990574846796
Energy: 1.1233980618296922
Energy: 1.633165032728868
Energy: 1.5471185813562998
Energy: 1.3717427144676617
Energy: 1.3920845922269
Energy: 1.3823759212941156
Energy: 1.4174446854423655
Energy: 1.615664883988084
Energy: 1.1238707712790394
Energy: 1.1449901334671357
Energy: 1.2340853381402226
Energy: 1.4493514588095746
Energy: 1.637983589243353
Energy: 1.3341731345035854
Energy: 1.3902355785779612
Energy: 1.559390207209753
Energy: 1.4794030849464652
Energy: 1.4489211920456264
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Energy: 1.477134219702555
Energy: 1.7052038743576385
Energy: 1.397920659454777
Energy: 1.5069321083407057
Energy: 1.6436178746779193
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Energy: 1.4999867370814002
Energy: 1.6689643494247157
Energy: 1.5117227171650491
Energy: 1.2446293029566329
Energy: 1.571369489921018
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Energy: 1.6568322780534686
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Energy: 1.2402140267954465
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Energy: 1.5226730838150024
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Energy: 1.5311935317681449
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Energy: 1.4664491124598795
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Energy: 1.3431498101661161
Energy: 1.5130535982357651
Energy: 1.4411456787188792
Energy: 1.630209686385862
Energy: 1.7226401176345087
Energy: 1.5333102995663672
Energy: 1.4474639740944868
Energy: 1.443879816110332
Energy: 1.447693634243414
Energy: 1.6907339651482698
Energy: 1.450607350367438
Energy: 1.441745684290007
Energy: 1.4397523194503685
Energy: 1.4330491832245797
Energy: 1.3112630034076673
Energy: 1.6500418164372603
Energy: 1.4455818046331559
Energy: 1.5103596146442344
Energy: 1.163862411369115
Energy: 1.1543576502558182
Energy: 1.5915734926794456
Energy: 1.4615311535783926
Energy: 1.5383550473672274
Energy: 1.3457678878633998
Energy: 1.3153959225833949
Energy: 1.6325360082493725
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Energy: 1.330237516733888
Energy: 1.2465423217000149
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Energy: 1.330491761173419
Energy: 1.324571662786692
Energy: 1.2912688532154237
Energy: 1.6386315771474307
Energy: 1.2169994812415936
Energy: 1.2494102624156158
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Energy: 1.225673887000219
Energy: 1.636088594549116
Energy: 1.3295069862836542
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Energy: 1.7183370981347574
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Energy: 1.5597609098465601
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Energy: 1.4565962347660926
Energy: 1.48420429646105
Energy: 1.5688629916292811
Energy: 1.2496974078771128
Energy: 1.4985608750323467
Energy: 1.6657703113326956
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Energy: 1.2410270900829106
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Energy: 1.577205103191178
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Energy: 1.503364284508678
Energy: 1.5199997838629404
Energy: 1.6736657657692733
Energy: 1.5644263526819453
Energy: 1.249605490136055
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Energy: 1.6678775919853557
Energy: 1.4644614687866873
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Energy: 1.5273251094021492
Energy: 1.519876140892288
Energy: 1.4419262248507636
Energy: 1.5664672972566898
Energy: 1.5335505031551484
Energy: 1.4465370355693543
Energy: 1.5178866309134231
Energy: 1.4522943733824103
Energy: 1.5644060931602684
Energy: 1.5317353827903373
Energy: 1.4501721730231243
Energy: 1.5165664559581682
Energy: 1.461423909098495
Energy: 1.206075152014955
Energy: 1.6296876130626246
Energy: 1.4503544212528714
Energy: 1.5149851948609772
Energy: 1.298028528143535
Energy: 1.2057226719118557
Energy: 1.6698096538076617
Energy: 1.445191789744832
Energy: 1.3588511376468202
Energy: 1.4082860535003272
Energy: 1.2429783458417316
Energy: 1.355150229041144
Energy: 1.3841452975658812
Energy: 1.3043214417147104
Energy: 1.3707142600386608
Energy: 1.2462249535076435
Energy: 1.294916494525034
Energy: 1.3836118452590176
Energy: 1.4965556056858722
Energy: 1.2367818495391065
Energy: 1.4089206420175626
Energy: 1.2760904327417628
Energy: 1.558157515431229
Energy: 1.3371413979538174
Energy: 1.240101122512721
Energy: 1.3975805827808687
Energy: 1.3175834951509495
Energy: 1.3838017704175798
Energy: 1.6159805419198838
Energy: 1.3910405740296734
Energy: 1.413485766380901
Energy: 1.5388017669306038
Energy: 1.4066330013558141
Energy: 1.6265485712113061
Energy: 1.1582007015602103
Energy: 1.2456602191447221
Energy: 1.7296942199581844
Energy: 1.4174917391055668
Energy: 1.6244685508374666
Energy: 1.508343129558805
Energy: 1.5608159350121766
Energy: 1.747912364049007
Energy: 1.4977105997242466
Energy: 1.3623734402368561
Energy: 1.63192909192527
Energy: 1.3280488224694995
Energy: 1.6649373738721154
Energy: 1.4983995863711201
Energy: 1.3143258909237825
Energy: 1.3931159193483598
Energy: 1.488588113623767
Energy: 1.4312157245305324
Energy: 1.4662442126107595
Energy: 1.131806906942511
Energy: 1.3346908072039485
Energy: 1.4847835978211792
Energy: 1.6714204773582049
Energy: 1.65807028519853
Energy: 1.6658653033281758
Energy: 1.4897998555627272
Energy: 1.414350743518946
Energy: 1.418011434751298
Energy: 1.3867027815001653
Energy: 1.6684872617131714
Energy: 1.3867443031157884
Energy: 1.4115742312224029
Energy: 1.4124684466382629
Energy: 1.4007524532531583

minimum gb energy = 1.1233980618296922 eV
minimum distance =  2.15577081593252 Angstroms
sigma value = 75


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

Energy: 2.277995190900087
Energy: 1.5233983004503713
Energy: 1.4087978816521707
Energy: 1.552523348938789
Energy: 1.4707534602377659
Energy: 1.4717863897521177
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Energy: 1.4093314104295538
Energy: 1.5590163294623054
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Energy: 1.4115727837887766
Energy: 1.525256547812217
Energy: 1.3267042881258697
Energy: 1.4008007050549485
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Energy: 1.433131296905968
Energy: 1.602677149590894
Energy: 1.48056006285701
Energy: 1.5159514460920522
Energy: 1.5714660896284636
Energy: 1.7326120186498999
Energy: 1.4253565167777773
Energy: 1.4177629212349145
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Energy: 1.5725563054073861
Energy: 1.7332194111417327
Energy: 1.4799648489575095
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Energy: 1.4387885384001096
Energy: 1.4227110012317938
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Energy: 1.310640439492804
Energy: 1.4106225357311224
Energy: 1.2964687771364238
Energy: 1.4286986726258246
Energy: 1.4379777511151806
Energy: 1.4891705394169306
Energy: 1.4109744837953055
Energy: 1.6157739524291148
Energy: 1.3600494738132254
Energy: 1.6368138562671106
Energy: 1.6035273512582897
Energy: 1.4874929962523542
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Energy: 1.322265128778418
Energy: 1.5706216028638649
Energy: 1.6188222320880767
Energy: 1.5410735363421173
Energy: 1.4955883897346127
Energy: 1.4800443874089946
Energy: 1.545202286192939
Energy: 1.4633717522380572
Energy: 1.55167830827045
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Energy: 1.6162327557332778
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Energy: 1.6258080183380839
Energy: 1.5851794238990025
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Energy: 1.5608639521219936
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Energy: 1.618608791058456
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Energy: 1.4097490841236384
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Energy: 1.5256183162765729
Energy: 1.6105339248522605
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Energy: 1.47691317797207
Energy: 1.3584205523167827
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Energy: 1.4898260314281269
Energy: 1.4892160911267225
Energy: 1.6794235327047653
Energy: 1.5921227937488476
Energy: 1.5789068785986426
Energy: 1.3712361178172103
Energy: 1.4810998777500761
Energy: 1.4364794896095865
Energy: 1.6085434891784482
Energy: 1.5936070243099127
Energy: 1.3337680379671117
Energy: 1.4940506008965535
Energy: 1.4492322927748895
Energy: 1.4827909511443609
Energy: 1.5112973408153694
Energy: 1.4034809907346684
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Energy: 1.5711081228864967
Energy: 1.484300112263017
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Energy: 1.474099220586287
Energy: 1.5590747565785388
Energy: 1.5721225700015482
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Energy: 1.4079114562143153
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Energy: 1.5331896090924966
Energy: 1.7358890843610795
Energy: 1.5591780170151999
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Energy: 1.4073429063931688
Energy: 1.5540475960191071
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Energy: 1.470513660518513
Energy: 1.443743069315331
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Energy: 1.5995477653304968
Energy: 1.476757506677864
Energy: 1.4026345176340536
Energy: 1.5628759468073095
Energy: 1.44325233811086
Energy: 1.586051356917278
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minimum gb energy = 1.2552138057237874 eV
minimum distance =  2.15239728934611 Angstroms
sigma value = 105


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

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Energy: 1.4540448698816275
Energy: 1.4402688529882124
Energy: 1.4336137213013709
Energy: 1.4981378157918774
Energy: 1.5150388022889865
Energy: 1.440545334261571
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Energy: 1.4393662567918963
Energy: 1.4938135350232462
Energy: 1.4600731037795869
Energy: 1.4355585114488634
Energy: 1.4061281655796207
Energy: 1.4401339963964812
Energy: 1.4960142903796292
Energy: 1.4412789151357557
Energy: 1.4555970378768266
Energy: 1.487652094865422
Energy: 1.4638458344170115
Energy: 1.5482451469915475
Energy: 1.4466013933681834
Energy: 1.485393422574442
Energy: 1.4629952262360075
Energy: 1.5157085597646318
Energy: 1.5342703482822675
Energy: 1.5391869395154412
Energy: 1.4596571728376053
Energy: 1.4417305003096945
Energy: 1.448076485396269
Energy: 1.6082001821454632
Energy: 1.545294419340586
Energy: 1.415439379852724
Energy: 1.4352585206585837
Energy: 1.4415129272265608
Energy: 1.5515162289100755
Energy: 1.5505398524141474
Energy: 1.3853229219032765
Energy: 1.4638217008713639
Energy: 1.4601150072045972
Energy: 1.3570526743247424
Energy: 1.5467577936661765
Energy: 1.3850244632256352
Energy: 1.496791100442227
Energy: 1.512860914040223
Energy: 1.4493103505373954
Energy: 1.4995526194495044
Energy: 1.5455436743531403
Energy: 1.4704751573299188
Energy: 1.4930641615742144
Energy: 1.513401550632812
Energy: 1.4922630478007783
Energy: 1.5459499011711546
Energy: 1.5109674310525802
Energy: 1.4937387839864544
Energy: 1.5056499126267147
Energy: 1.4413598311378248
Energy: 1.5687682263511487
Energy: 1.3649434774100044
Energy: 1.42897759486541
Energy: 1.4615203678187798
Energy: 1.401565744060623
Energy: 1.5465725210111356
Energy: 1.3884822108930899
Energy: 1.4508663203125383
Energy: 1.5101909995062281
Energy: 1.5568824524811968
Energy: 1.3891308940880163
Energy: 1.3919070954454211
Energy: 1.3882735420723655
Energy: 1.3923315715559237
Energy: 1.5159101511095656
Energy: 1.3675350315384096
Energy: 1.4038342799702734
Energy: 1.367882778220559
Energy: 1.569998789804104

minimum gb energy = 1.3371332277234622 eV
minimum distance =  2.20201521986599 Angstroms
sigma value = 165


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

Energy: 1.7320539918698303
Energy: 1.4055375321390184
Energy: 1.3350099118165772
Energy: 1.3763050204937455
Energy: 1.4196642359347564
Energy: 1.6225154339843075
Energy: 1.38255936739908
Energy: 1.3445491789416841
Energy: 1.3950039033417274
Energy: 1.3814208156111414
Energy: 1.4783983405670702
Energy: 1.470357639133324
Energy: 1.377877299043511
Energy: 1.387249549269139
Energy: 1.3798326532882323
Energy: 1.4374333328658389
Energy: 1.3902248573590732
Energy: 1.3920992387996234
Energy: 1.4000890325485802
Energy: 1.527477606256809
Energy: 1.4235484908107325
Energy: 1.4930196073683886
Energy: 1.504975786421386
Energy: 1.421555497397907
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Energy: 1.4748018114004633
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Energy: 1.399780552541356
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Energy: 1.3924575627296276
Energy: 1.4316871280434535
Energy: 1.4280611392569245
Energy: 1.3886914107029293
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Energy: 1.487701739175541
Energy: 1.448033347714684
Energy: 1.461662785902599
Energy: 1.4306053220199433
Energy: 1.38635798694388
Energy: 1.4814138492888693
Energy: 1.4319485820958224
Energy: 1.4605725154034126
Energy: 1.4308796724570616
Energy: 1.434050276479027
Energy: 1.4763936882367583
Energy: 1.4853725418584767
Energy: 1.4620732421662328
Energy: 1.5945867292001987
Energy: 1.4673304826526088
Energy: 1.4594504437042521
Energy: 1.4813291005868274
Energy: 1.4805985188496416
Energy: 1.4068849577943936
Energy: 1.4627613507803088
Energy: 1.432662054053552
Energy: 1.4280996613510433
Energy: 1.4276780400893283
Energy: 1.3395826444429246
Energy: 1.4654307800293618
Energy: 1.3816817506765404
Energy: 1.4253953119521305
Energy: 1.4303316464426112
Energy: 1.4354923864812383
Energy: 1.4595619118740488
Energy: 1.437367379661465
Energy: 1.398497133106751
Energy: 1.3988847810660747
Energy: 1.3361937815527622
Energy: 1.4781298897409352
Energy: 1.412590900988204
Energy: 1.405192802063319
Energy: 1.4045764916096715
Energy: 1.342491755139803
Energy: 1.4164053445201157
Energy: 1.4696767424299302
Energy: 1.3779184518770928
Energy: 1.3271839740734348
Energy: 1.4019254034502708
Energy: 1.3704293679038086
Energy: 1.4691909224676458
Energy: 1.3445349363597456
Energy: 1.3318144123587008
Energy: 1.400133001385607
Energy: 1.4317852631161352
Energy: 1.3945601158433278
Energy: 1.3777780084720688
Energy: 1.3388303761571938
Energy: 1.4412900044227266
Energy: 1.3971600082897124
Energy: 1.3932258276504503
Energy: 1.39111972841139
Energy: 1.3418794435146384
Energy: 1.4716740273458486

minimum gb energy = 1.3215072794855414 eV
minimum distance =  2.18742881694466 Angstroms
sigma value = 41


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

Energy: 1.184834976610419
Energy: 1.1768769285718101
Energy: 1.20443405423302
Energy: 1.2017026205507504
Energy: 1.1844282816935738
Energy: 1.1853874142435672
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Energy: 1.2298983589623322
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Energy: 1.2180135643960175
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Energy: 1.254242334201536
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Energy: 1.3045216943695706
Energy: 1.3116765164390622
Energy: 1.2174800986021517
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Energy: 1.3493175678809433
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Energy: 1.1825627072782847
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Energy: 1.172224059728122
Energy: 1.2029878742271023
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Energy: 1.2301936998316452
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Energy: 1.608877173138511
Energy: 1.224925900133232
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Energy: 1.199756084863889
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Energy: 1.17391291582242
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Energy: 1.204306614703763
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Energy: 1.2449884460636447
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Energy: 1.2346508805728726
Energy: 1.4095143682107791
Energy: 1.229385430509849
Energy: 1.2071054160237333
Energy: 1.2381909988193127
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Energy: 1.2051167410226769
Energy: 1.2102586070495072
Energy: 1.1737264693093992
Energy: 1.23263625216505
Energy: 1.206002222608214
Energy: 1.2515854381276126
Energy: 1.2277875803440452
Energy: 1.5829418927650014
Energy: 1.2080294162493468
Energy: 1.2029329735652976
Energy: 1.2358021433079687
Energy: 1.2253223009719647
Energy: 1.2538068970899863
Energy: 1.2140455922863345
Energy: 1.202153321408208
Energy: 1.1800090531289198
Energy: 1.4095284183307666
Energy: 1.2487739164360743
Energy: 1.2413790949543193
Energy: 1.203355142831232
Energy: 1.202957459422189
Energy: 1.3097325873012569
Energy: 1.247482907489695
Energy: 1.2217685436059764
Energy: 1.302301231320564
Energy: 1.202837715603356
Energy: 1.206917627734891
Energy: 1.210572635526196
Energy: 1.2430463970235088
Energy: 1.346871458484213
Energy: 1.2036649362011373
Energy: 1.2081581993722692
Energy: 1.230400401047998
Energy: 1.242237233947854
Energy: 1.347932798320041
Energy: 1.2044817945452144
Energy: 1.277063148290114
Energy: 1.174978219728263
Energy: 1.1766043020139758
Energy: 1.1993879064423307
Energy: 1.2038270766999397
Energy: 1.5283152804592863
Energy: 1.1745240156064574
Energy: 1.1767404677083475
Energy: 1.1998415746900764
Energy: 1.2349471673126962
Energy: 1.3114588341447988
Energy: 1.2022821072846064
Energy: 1.1919252384851915
Energy: 1.2013034998118124
Energy: 1.2178680209406016
Energy: 1.1828747665078279
Energy: 1.202126935039957
Energy: 1.1917011761199594
Energy: 1.2018677060591478
Energy: 1.2566993743833434
Energy: 1.256853848147196
Energy: 1.1985374755018687
Energy: 1.2035345794690282
Energy: 1.2017926635999723
Energy: 1.2468850747912865
Energy: 1.238774030959551
Energy: 1.1983731499833867
Energy: 1.205499028206851
Energy: 1.203205446915384
Energy: 1.200953195606927
Energy: 1.1733975438956585
Energy: 1.1828192809800435
Energy: 1.18497889686122
Energy: 1.1974396448362794
Energy: 1.2429410105704446
Energy: 1.1728472072855862
Energy: 1.259419354083489
Energy: 1.1829413507371258
Energy: 1.2222455896782556

minimum gb energy = 1.1595685930626707 eV
minimum distance =  2.2515913703808 Angstroms
sigma value = 185


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

Energy: 0.6824488546544166
Energy: 0.8240686975696156
Energy: 0.7990467990942728
Energy: 0.7895847659627604
Energy: 0.5304468693159563
Energy: 0.5256141923473414
Energy: 0.8016356867325718
Energy: 0.7857822132087591
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Energy: 0.6777606378475879
Energy: 1.9760346775134452
Energy: 0.8021340854575202
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Energy: 0.7974850908935287
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Energy: 0.6319265954419471
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Energy: 0.8303233607361814
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Energy: 0.8611303103504335
Energy: 0.5549224861066655
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Energy: 0.840880809725118
Energy: 0.8280645297201565
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Energy: 0.8482832678913501
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Energy: 0.8495790765607195
Energy: 0.872953276497128
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Energy: 0.5292488251242811
Energy: 0.524864711008558
Energy: 0.8566337767011839
Energy: 0.833423203694516
Energy: 0.8372780943857262
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Energy: 0.5248699832952927
Energy: 0.8612412186119754
Energy: 0.8300708451318456
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Energy: 0.8305928669919804
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Energy: 0.8330091293419213
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Energy: 0.8219369395525425
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Energy: 0.5291780916575738
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Energy: 0.8291324363028665
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Energy: 0.8387334888626412
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Energy: 0.8308079153087317
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Energy: 0.8538843136182037
Energy: 0.5532704592926281
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Energy: 0.8532479141979393
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Energy: 0.8534016598773965
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Energy: 0.8176666674337574
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Energy: 0.8503729309256928
Energy: 0.8567686329465078
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Energy: 0.8334199085063314
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Energy: 0.8390149502173061
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Energy: 0.544158431883766
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Energy: 0.8325879198312996
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Energy: 0.8579519872996415
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Energy: 0.5291001921200377
Energy: 0.5462791471183934
Energy: 0.8514164543925471
Energy: 0.823957569545099
Energy: 0.8569385452036521
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Energy: 0.8809038288776391
Energy: 0.8146801142333818
Energy: 0.8278762209802505
Energy: 0.8640155704768135
Energy: 1.7590001371697075
Energy: 0.871175455808289
Energy: 0.8212860450511876
Energy: 0.8162156982835592
Energy: 0.5807833411498984
Energy: 0.5812621052871023
Energy: 0.828629596841311
Energy: 0.8230216258623781
Energy: 0.8273254696556843
Energy: 0.524955259197116
Energy: 0.5260062746241249
Energy: 0.8611882405947793
Energy: 0.8161851622214047
Energy: 0.8489232149093575
Energy: 1.8620776055531718
Energy: 0.573903538835845
Energy: 0.8158916255399616
Energy: 0.8537100825145177
Energy: 0.804525878297394
Energy: 1.6203844672682477
Energy: 0.8551225001749043
Energy: 0.8090081790369902
Energy: 0.849767664370356
Energy: 0.819568009877528
Energy: 0.6345226421075043
Energy: 0.7971230822105054
Energy: 0.8448145640368031
Energy: 0.8266930078071443
Energy: 0.7975429489410828
Energy: 0.5264394935436834
Energy: 0.8119927719139474
Energy: 0.8307970147713328
Energy: 0.8193640144816784
Energy: 0.6106050497946409
Energy: 0.6321765884776339
Energy: 0.808212659978518
Energy: 0.8485757781131535
Energy: 0.8054464081271845
Energy: 0.5533573812572944
Energy: 0.52509555308362
Energy: 0.810081643299735
Energy: 0.844539122851311
Energy: 0.7905716886844565
Energy: 0.8709709935488091
Energy: 0.8058754139876203
Energy: 0.7944357627185092
Energy: 0.8157944840512401
Energy: 0.7890485747013556
Energy: 0.7862579527106052
Energy: 0.7977010379680793
Energy: 0.7902618524877474
Energy: 0.8038559221241066
Energy: 0.8015921818339303
Energy: 0.6775436598850665
Energy: 0.8071456869732533
Energy: 0.8014334424874907
Energy: 0.8284933523703942
Energy: 0.7877138764203456
Energy: 0.5422868095036909
Energy: 0.7872670638423194
Energy: 0.7681689177956285
Energy: 0.8140434550696949
Energy: 0.6776102503902537

minimum gb energy = 0.5245435423276832 eV
minimum distance =  2.3246449725172 Angstroms
sigma value = 33


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

Energy: 1.1509281456538574
Energy: 1.0897059438320607
Energy: 1.078620023639598
Energy: 1.089947853007675
Energy: 1.0663399291513092
Energy: 1.068493215504374
Energy: 1.0766921304861834
Energy: 1.0898702058412395
Energy: 1.1187603198934626
Energy: 1.114014737044393
Energy: 1.1103959847586884
Energy: 1.0971465013766102
Energy: 1.0914044721355627
Energy: 1.102381822792773
Energy: 1.0739548859519803
Energy: 1.0962656671449031
Energy: 1.0656352708783916
Energy: 1.1077777934740631
Energy: 1.079068316607003
Energy: 1.1230900473622423
Energy: 1.1364990800272932
Energy: 1.0794497516304353
Energy: 1.0765135640325163
Energy: 1.1114277357913767
Energy: 1.0810740664478362
Energy: 1.0709572973841157
Energy: 1.0750390877539628
Energy: 1.0747495752205058
Energy: 1.0892942692175043
Energy: 1.08291667882609
Energy: 1.142945272740923
Energy: 1.1188305110391623
Energy: 1.1137575638769963
Energy: 1.0873855488933624
Energy: 1.1231134172708428
Energy: 1.177312007569093
Energy: 1.1307301488165697
Energy: 1.1104181572754932
Energy: 1.144285147645028
Energy: 1.0848393891192165
Energy: 1.1031793728399855
Energy: 1.104804722957858
Energy: 1.1250153681136108
Energy: 1.0961865247855023
Energy: 1.1307343273054145
Energy: 1.1092393241750158
Energy: 1.1216961644669414
Energy: 1.115330755238846
Energy: 1.096488655402008
Energy: 1.152167373480973
Energy: 1.1161896361497254
Energy: 1.1083110002634102
Energy: 1.203194122418208
Energy: 1.104900087753644
Energy: 1.11119756120736
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Energy: 1.1105354399245495
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Energy: 1.1278773513688343
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Energy: 1.1036552800466355
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Energy: 1.106133489869248
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Energy: 1.115405987866353
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Energy: 1.096364125496356
Energy: 1.0972736808127352
Energy: 1.1116120149645654
Energy: 1.0960582940810304
Energy: 1.1008592727541486
Energy: 1.0969292625795395
Energy: 1.097225364127631
Energy: 1.0961375323394358
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Energy: 1.0972882586817962
Energy: 1.0965408803029184
Energy: 1.1199506179523835
Energy: 1.1574427361662596
Energy: 1.114610946215335
Energy: 1.098410060935082
Energy: 1.1964993532368167
Energy: 1.0993566818375222
Energy: 1.0922437021935283
Energy: 1.0975706242501957
Energy: 1.1363296458909014
Energy: 1.1830347980389146
Energy: 1.1005336785416509
Energy: 1.2390996387792068
Energy: 1.0976126127066552
Energy: 1.0986947015289465
Energy: 1.0972553509126153
Energy: 1.114033758778501
Energy: 1.1269041513985274
Energy: 1.095607084977274
Energy: 1.0953429725176889
Energy: 1.0974892408679626
Energy: 1.1145534348434603
Energy: 1.1291440032854814
Energy: 1.0955692918825481
Energy: 1.0958345062541284
Energy: 1.1425585510236071
Energy: 1.1236734894968625
Energy: 1.1956262802963653
Energy: 1.1285539708489307
Energy: 1.0820771646052858
Energy: 1.1309252863732238
Energy: 1.1235255767389611
Energy: 1.1141077202002188
Energy: 1.095693118283291
Energy: 1.0831516921867383
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Energy: 1.113085228965732
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Energy: 1.1127979071414429
Energy: 1.0820232552163564
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Energy: 1.0938737666696476
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Energy: 1.090263089410406
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Energy: 1.0720187652676552
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Energy: 1.0939046574972273
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Energy: 1.0681423283637956
Energy: 1.0773523252257537
Energy: 1.089669708145981
Energy: 1.0787416420284397
Energy: 1.1163849132598456

minimum gb energy = 1.0525373517062535 eV
minimum distance =  2.23795440097169 Angstroms
sigma value = 219


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

Energy: 1.6125580595438362
Energy: 1.3797459216841164
Energy: 1.3391413947963604
Energy: 1.4003331860524812
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Energy: 1.3765755628432588
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Energy: 1.3798487062264908
Energy: 1.3764351403660027
Energy: 1.3392400930109747
Energy: 1.3824107450076606
Energy: 1.3805928253750868
Energy: 1.355955797282844
Energy: 1.387354575086438
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Energy: 1.3927703804932396
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Energy: 1.3569239600426868
Energy: 1.3875302009527961
Energy: 1.337569031838324
Energy: 1.3938658566051494
Energy: 1.3794738293037263

minimum gb energy = 1.2871053611395933 eV
minimum distance =  2.25358612103012 Angstroms
sigma value = 15


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

Energy: 1.7540659213167156
Energy: 1.6019881409988084
Energy: 1.5770520228176537
Energy: 1.5480678186546508
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Energy: 1.5773064565361525
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Energy: 1.5651818321739235
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Energy: 1.6105840920752805
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Energy: 1.592061004129777
Energy: 1.4976270058314616
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minimum gb energy = 1.4831274578053582 eV
minimum distance =  2.22890066962305 Angstroms
sigma value = 293


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

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Energy: 1.6466963632714418
Energy: 1.7049180652270461
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Energy: 1.5470515717160354
Energy: 1.6052537837875733
Energy: 1.6466888939116255
Energy: 1.7315890071656193
Energy: 1.616664344460889
Energy: 1.5529438478064972
Energy: 1.696127026854229
Energy: 1.6010692223349818
Energy: 1.6078197071104314
Energy: 1.6518480247620648
Energy: 1.4874155916323601
Energy: 1.6172711403875277
Energy: 1.6724073333163432
Energy: 1.6520109383545636
Energy: 1.7606296032646305
Energy: 1.8796754570062835
Energy: 1.6510473406068387
Energy: 1.544900246793532
Energy: 1.5452734590274393
Energy: 1.6149668752649073
Energy: 1.4919185506672792
Energy: 1.5071480703306068
Energy: 1.54481181540218
Energy: 1.5453883217266127
Energy: 1.6152688770963057
Energy: 1.4882523460097408
Energy: 1.50930799934848
Energy: 1.5062438981051098
Energy: 1.5495830917596582
Energy: 1.654152782012431
Energy: 1.6362826958365966
Energy: 1.5096449961834004
Energy: 1.5076463253042076
Energy: 1.5466523982998062
Energy: 1.6556697276393875
Energy: 1.5993225666142379
Energy: 1.5510263278495073
Energy: 1.6046137002346292
Energy: 1.5768202222309773
Energy: 1.5942696234683276
Energy: 1.6462947791268119
Energy: 1.5514381679385498
Energy: 1.6056355031438911
Energy: 1.5741920876517836
Energy: 1.5943115002427395
Energy: 1.6463960577788168
Energy: 1.5498556727060073
Energy: 1.5180677097752304
Energy: 1.6723005538448479
Energy: 1.562568630040524
Energy: 1.652787924919462
Energy: 1.5900819979550698
Energy: 1.5189131013952728
Energy: 1.6725228690856822
Energy: 1.564029836365259
Energy: 1.6527466045703634
Energy: 1.6740129450241004
Energy: 1.6045965402158018
Energy: 1.6517116258068967
Energy: 1.6760445728990179
Energy: 1.6514206969510252
Energy: 1.672921724165572
Energy: 1.6056507020560122
Energy: 1.6517368420971716
Energy: 1.6726232959301328
Energy: 1.5993458292180884
Energy: 1.7570318860977534
Energy: 1.5751235338445788
Energy: 1.7379199636073017
Energy: 1.6531724370114738
Energy: 1.6559850223270904
Energy: 1.8716593376924282
Energy: 1.575175946425214
Energy: 1.7398195079355303
Energy: 1.6543388697493788
Energy: 1.695448878638457

minimum gb energy = 1.4868834228395538 eV
minimum distance =  2.22275349440955 Angstroms
sigma value = 293


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

Energy: 1.4388949427199726
Energy: 1.5998945218456235
Energy: 1.6592957452654717
Energy: 1.601010132707057
Energy: 1.5821708965002843
Energy: 1.4404555676054527
Energy: 1.6005004037177286
Energy: 1.630818480045985
Energy: 1.6000620522799387
Energy: 1.5285209927344992
Energy: 1.6528123359238072
Energy: 1.526870954090045
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Energy: 1.6009590769656468
Energy: 1.5247509481477846
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Energy: 1.5275704452090082
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Energy: 1.6549938080795286
Energy: 1.708924485851694
Energy: 1.7072958726614869
Energy: 1.44256824772979
Energy: 1.4438702319115908
Energy: 1.5986659549569704
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Energy: 1.5987087551143928
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Energy: 1.6589933305586835
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Energy: 1.5983366301898212
Energy: 1.5254683836608425
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Energy: 1.5985182359419885
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Energy: 1.4457228854642359
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Energy: 1.6567600410589622
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Energy: 1.577246156800975
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Energy: 1.5998170563604583
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Energy: 1.6001335594884738
Energy: 1.5300736056090778
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Energy: 1.4460352626548962
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Energy: 1.7087701577001992
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Energy: 1.4417268638189618
Energy: 1.5266359079482823
Energy: 1.5995623116897704
Energy: 1.5886519941713129
Energy: 1.5998751275756256
Energy: 1.5270605701001356
Energy: 1.441677394178772
Energy: 1.5261080964637561
Energy: 1.5249455601961839
Energy: 1.5988977423944362
Energy: 1.5265059525366134
Energy: 1.4427255540213106
Energy: 1.5273294562802069
Energy: 1.5276342084469552
Energy: 1.6000192602416328
Energy: 1.708073135371884
Energy: 1.5990278089098307
Energy: 1.5266223711136226
Energy: 1.5825127867519766
Energy: 1.6008568040317808
Energy: 1.7069270621094406
Energy: 1.599476641685021
Energy: 1.5256108593723758
Energy: 1.582452500445988
Energy: 1.6599474123864972
Energy: 1.5139310905196113
Energy: 1.598848559157921
Energy: 1.525791112838358
Energy: 1.479630988434297
Energy: 1.661985560601765
Energy: 1.4466115856722894
Energy: 1.5983456916816072
Energy: 1.5255216554756732
Energy: 1.4778350627644699
Energy: 1.5995925447256867
Energy: 1.6559267439417191
Energy: 1.6553048393224852
Energy: 1.4415039213272456
Energy: 1.5839990709291738
Energy: 1.6000119339567136
Energy: 1.6567334936311358
Energy: 1.6578281932243435
Energy: 1.4402534252854686
Energy: 1.5831095281329712
Energy: 1.5254370580942216
Energy: 1.5826808664546643
Energy: 1.598199994554691
Energy: 1.4467497944823777
Energy: 1.6528750044094098
Energy: 1.526796311240118
Energy: 1.598384039848378
Energy: 1.5980209852917204
Energy: 1.4460461274454548
Energy: 1.5272754323245115
Energy: 1.5255823646116518
Energy: 1.5235840960797271
Energy: 1.656676715550454
Energy: 1.5994013945121845
Energy: 1.5990919700132586
Energy: 1.5253322290411957
Energy: 1.523058973951647
Energy: 1.6579917558235637
Energy: 1.6000676471288486
Energy: 1.6017624849831793
Energy: 1.4435511495344941
Energy: 1.5987964327738375
Energy: 1.5293959201318335
Energy: 1.6571038016436115
Energy: 1.6542083849667737
Energy: 1.4454493446420051
Energy: 1.5986374592006307
Energy: 1.5100561199457445
Energy: 1.657718539122129
Energy: 1.6543400536120312

minimum gb energy = 1.4388949427199726 eV
minimum distance =  2.22579166406498 Angstroms
sigma value = 15


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

Energy: 1.4964241469347863
Energy: 1.7362499678475938
Energy: 1.6625006042237864
Energy: 1.5957364150852025
Energy: 1.6334255514734426
Energy: 1.4595167093735821
Energy: 1.7075345258036334
Energy: 1.6590927910254865
Energy: 1.6229142143585964
Energy: 1.5755407676665742
Energy: 1.5082177211350045
Energy: 1.5903257726823572
Energy: 1.520856966817684
Energy: 1.553348640888255
Energy: 1.7223280482367884
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Energy: 1.6980812361690176
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Energy: 1.581383576902927
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Energy: 1.6426440647248364
Energy: 1.579591972703804
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Energy: 1.593938380744772
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Energy: 1.6539358773757158
Energy: 1.7101156831356135
Energy: 1.591049372948908
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Energy: 1.4742674285051696
Energy: 1.7137067048616466
Energy: 1.5353280909511127
Energy: 1.525760706440034
Energy: 1.4610395421543991
Energy: 1.6045478871388295
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Energy: 1.5361119993190975
Energy: 1.5250441215794766
Energy: 1.7122274276153642
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Energy: 1.5023711919425138
Energy: 1.5219540514240544
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Energy: 1.5022766787555883
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Energy: 1.7140254497696414
Energy: 1.7348283187470714
Energy: 1.6764067813921435
Energy: 1.5313865353147789
Energy: 1.52187668409006
Energy: 1.5060236461591745
Energy: 1.557574318467708
Energy: 1.5278822928682982
Energy: 1.5219351740246045
Energy: 1.5192919053070357
Energy: 1.5735879924355223
Energy: 1.5516324326576314
Energy: 1.5234762229983794
Energy: 1.5432221158887838
Energy: 1.6532796272648052
Energy: 1.6626777283803185
Energy: 1.6727967090023963
Energy: 1.6719450959337283
Energy: 1.5255383253185408
Energy: 1.6812450770725635
Energy: 1.6625336128031367
Energy: 1.5539169619073578
Energy: 1.672199882843179
Energy: 1.4557497304712512
Energy: 1.7121337863387813
Energy: 1.6428174258678596
Energy: 1.6590536113759284
Energy: 1.645763996063898
Energy: 1.4565644456118327
Energy: 1.712319602700115
Energy: 1.6441074498439578
Energy: 1.6614315106938586
Energy: 1.453677584593211
Energy: 1.4546785807251787
Energy: 1.5779273630531057
Energy: 1.5156085121604876
Energy: 1.5611181903919247
Energy: 1.71743398772998
Energy: 1.4543887044873567
Energy: 1.5780235915167025
Energy: 1.5141695729899485
Energy: 1.5617467352275993
Energy: 1.7181989170206546
Energy: 1.6597044165038748
Energy: 1.562498908121995
Energy: 1.552311223364076
Energy: 1.505765623309828
Energy: 1.6618144981785987
Energy: 1.658193590149918
Energy: 1.5635320648626019
Energy: 1.5539376823918445
Energy: 1.563532986398564
Energy: 1.660244870207048
Energy: 1.6577471868975115
Energy: 1.6558802113352815
Energy: 1.7283543311919318
Energy: 1.6591749747119247
Energy: 1.6642750208380899
Energy: 1.6586478001897973
Energy: 1.65782448725596
Energy: 1.5818356826081932
Energy: 1.6595672201203464
Energy: 1.664902300489629
Energy: 1.7169489450054631
Energy: 1.6633722793940238
Energy: 1.5975639094525156
Energy: 1.648414338492771
Energy: 1.6970930665304225
Energy: 1.7451377929861824
Energy: 1.599194363126548
Energy: 1.5947479489670344
Energy: 1.648817595460681
Energy: 1.8011908102620384
Energy: 1.7035376532176199
Energy: 1.4897203998816906
Energy: 1.477365331336065
Energy: 1.7387476659524879
Energy: 1.7534694878864183
Energy: 1.743140223865388
Energy: 1.4733482345197748
Energy: 1.475584380086846
Energy: 1.744094712848172
Energy: 1.7519011348700986
Energy: 1.473627739827908
Energy: 1.474986733904309
Energy: 1.496316627703776
Energy: 1.7158652929463072
Energy: 1.8028540691676864
Energy: 1.4720249391178768
Energy: 1.4721285271752036
Energy: 1.4966002939370109
Energy: 1.7148407140045807
Energy: 1.7096069099712465
Energy: 1.591928790818183
Energy: 1.4739202681455355
Energy: 1.4806741462463806
Energy: 1.5623513987020758
Energy: 1.6973105210258401
Energy: 1.5016641236762085
Energy: 1.4729307911539893
Energy: 1.4848803996740116
Energy: 1.5622622947843825
Energy: 1.6957585788596492
Energy: 1.6407601496253426
Energy: 1.5672547988090582
Energy: 1.679424693353253
Energy: 1.5842409317876673
Energy: 1.635855443014667
Energy: 1.5847294543661143
Energy: 1.5908067820829197
Energy: 1.6817005061739239
Energy: 1.5590307872927245
Energy: 1.6350438468100217
Energy: 1.6072272259501614
Energy: 1.6858055280657984
Energy: 1.5735139926922113
Energy: 1.5023760514925937
Energy: 1.5044153568883982
Energy: 1.5955515206489566
Energy: 1.7075429280279322
Energy: 1.478340106314369
Energy: 1.5023332853804787
Energy: 1.694443627449613
Energy: 1.7310489105220603
Energy: 1.6943926235977202
Energy: 1.501244884684967
Energy: 1.5041513118870273
Energy: 1.5025893886931017
Energy: 1.7159013661463605
Energy: 1.695408732102371
Energy: 1.5133198534219103
Energy: 1.4984059616363439
Energy: 1.5029787995101456
Energy: 1.6623171193845774
Energy: 1.680541555489866
Energy: 1.5098109191087834
Energy: 1.501990824004442
Energy: 1.575130568029525
Energy: 1.6636963166327745
Energy: 1.6877897447549581
Energy: 1.511847004696976
Energy: 1.493315308861586
Energy: 1.5776908246700811
Energy: 1.5146356674726906
Energy: 1.4792732199532979
Energy: 1.4924629164235135
Energy: 1.5376633209528576
Energy: 1.5823383917130984
Energy: 1.5093216191725998
Energy: 1.4574537376920835
Energy: 1.4920880438245945
Energy: 1.5400545515686441
Energy: 1.5782223882076032
Energy: 1.514084910475334
Energy: 1.5786700384541807
Energy: 1.6537232939230346
Energy: 1.5313427305187024
Energy: 1.5531020595193388
Energy: 1.5142549663612082
Energy: 1.5784966525721758
Energy: 1.4931215734239842
Energy: 1.5223194884243134
Energy: 1.5516669786585562
Energy: 1.5481330236198387
Energy: 1.5682252222547852
Energy: 1.6505872637051322
Energy: 1.6913554573739562
Energy: 1.5813616629457552
Energy: 1.5484494121451378
Energy: 1.5002912030739322
Energy: 1.6509133630799189
Energy: 1.7043015907198342
Energy: 1.5743048083528743
Energy: 1.7285607062602633
Energy: 1.6532942799944674
Energy: 1.647911645822931
Energy: 1.6282261375097264
Energy: 1.5574335918940474
Energy: 1.7286005320947042
Energy: 1.651657164698558
Energy: 1.6505790599118686
Energy: 1.6267167398379239
Energy: 1.540627069180607
Energy: 1.68389961050961
Energy: 1.684199167275834
Energy: 1.863978119841071
Energy: 1.7553402715657656
Energy: 1.5982681678162
Energy: 1.6913358357409665
Energy: 1.683451620622539
Energy: 1.756536172866349
Energy: 1.7551929143953395
Energy: 1.5983900741562787
Energy: 1.751044466052474
Energy: 1.7137797294605295
Energy: 1.7367658015950724
Energy: 1.7465943032757896
Energy: 1.5033902410721627
Energy: 1.726549794838531
Energy: 1.702810474147211
Energy: 1.7422857922469512
Energy: 1.747579787652647
Energy: 1.5048427939299922
Energy: 1.496146019064539
Energy: 1.6633585370522497
Energy: 1.4787075576413748
Energy: 1.4710991340152841
Energy: 1.5008033794771916
Energy: 1.4715221998098598
Energy: 1.6813669665792326
Energy: 1.4950194017470415
Energy: 1.4700411415530814
Energy: 1.5017072417331025
Energy: 1.5000424567336763
Energy: 1.5822385584797611
Energy: 1.7056287957924985
Energy: 1.4722996739516114
Energy: 1.469180984715809
Energy: 1.6248921082913796
Energy: 1.5830345704860849
Energy: 1.7040243135164028
Energy: 1.4707373102352648
Energy: 1.4712890032649346
Energy: 1.6684705635193535
Energy: 1.5620991381174951
Energy: 1.4978698829418295
Energy: 1.5824363601751836
Energy: 1.629478378987998
Energy: 1.6148852798770255
Energy: 1.5624386190304993
Energy: 1.4940189328605016
Energy: 1.6117843193955559
Energy: 1.6344318373757962
Energy: 1.4670120535445859
Energy: 1.489379928305524
Energy: 1.7071834445538343
Energy: 1.7374952867650608
Energy: 1.498291896788516
Energy: 1.4787543454782972
Energy: 1.484238782291832
Energy: 1.6835895619197527
Energy: 1.7389100131780637
Energy: 1.4992832998505048
Energy: 1.4952459673726717
Energy: 1.4750520266357787
Energy: 1.4809080958923648
Energy: 1.6994160167058956
Energy: 1.4894397241883848
Energy: 1.4999169812253776
Energy: 1.4873101339650037
Energy: 1.5009337159948013
Energy: 1.7134716811345776
Energy: 1.485005720240805
Energy: 1.4981615632829843
Energy: 1.7118566319587505
Energy: 1.6633216132944533
Energy: 1.669675399606098
Energy: 1.732647806122436
Energy: 1.5028537079620552
Energy: 1.7347363017556523
Energy: 1.6650622639782033
Energy: 1.6089439793272637
Energy: 1.741167412677655
Energy: 1.5259221477288458
Energy: 1.73573158598997
Energy: 1.622664575594683
Energy: 1.6806533310050864
Energy: 1.5021182181038093
Energy: 1.5266666791774552
Energy: 1.7090182302356636
Energy: 1.6827726330373503
Energy: 1.6152243242936069
Energy: 1.4535076831237828

minimum gb energy = 1.4535076831237828 eV
minimum distance =  2.18272471136096 Angstroms
sigma value = 437


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

Energy: 1.8771940426525264
Energy: 1.684650520315709
Energy: 1.5506415102699818
Energy: 1.659812218073028
Energy: 1.610225774995779
Energy: 1.8778140575478341
Energy: 1.6847774171135663
Energy: 1.54964199678974
Energy: 1.6601393348345501
Energy: 1.612546425006347
Energy: 1.5073280794109676
Energy: 1.6835023536475873
Energy: 1.6137709963839222
Energy: 1.6025056375068512
Energy: 1.6805690482960778
Energy: 1.5004078675876529
Energy: 1.6839678507748093
Energy: 1.6091300521769707
Energy: 1.6796332888478627
Energy: 1.683893381221862
Energy: 1.5065279192870005
Energy: 1.527248565510024
Energy: 1.5380476056761752
Energy: 1.4712497153336854
Energy: 1.4846422020224177
Energy: 1.5270726902355805
Energy: 1.6845579340425236
Energy: 1.538724764149124
Energy: 1.4680183336732473
Energy: 1.484503538467827
Energy: 1.4519488507001028
Energy: 1.4624985738176073
Energy: 1.548406340586338
Energy: 1.6144597111812338
Energy: 1.49312999456659
Energy: 1.4684755702937413
Energy: 1.4687358150898586
Energy: 1.5479476901936835
Energy: 1.5904275069966056
Energy: 1.4944599086483188
Energy: 1.613025059744043
Energy: 1.6868365186892411
Energy: 1.6848581078851785
Energy: 1.5041626511301287
Energy: 1.6894737952787666
Energy: 1.6144235811683378
Energy: 1.6870491165113135
Energy: 1.5382304676752727
Energy: 1.4986223457732253
Energy: 1.66653702603406
Energy: 1.6057991393623297
Energy: 1.467621627887734
Energy: 1.4927322426265501
Energy: 1.6161954189143215
Energy: 1.8826967785759716
Energy: 1.56841917722415
Energy: 1.4495970331792485
Energy: 1.50037679947731
Energy: 1.6138497671804954
Energy: 1.8812043110424326
Energy: 1.499995318222563
Energy: 1.4983636148266968
Energy: 1.492556514266008
Energy: 1.6189979792596654
Energy: 1.6840855655187397
Energy: 1.4990614772289528
Energy: 1.4916538104924202
Energy: 1.4937336290028813
Energy: 1.6183734117289303
Energy: 1.6846402489219663
Energy: 1.51466346868724
Energy: 1.5010265152298103
Energy: 1.4491642358030288
Energy: 1.6882262493016569
Energy: 1.6821908822164369
Energy: 1.5271824851999583
Energy: 1.4999339277541675
Energy: 1.450674057330824
Energy: 1.74419525962552
Energy: 1.6818279780664434
Energy: 1.4667822058824977
Energy: 1.5403372414959273
Energy: 1.6810389509942734
Energy: 1.5387612656697671
Energy: 1.4528150178931696
Energy: 1.4472580003040307
Energy: 1.6807480533533103
Energy: 1.6903288345105878
Energy: 1.5384998674021535
Energy: 1.4509896887984355
Energy: 1.6803576097288833
Energy: 1.6833965980652763
Energy: 1.3860496585451685
Energy: 1.621729091861603
Energy: 1.6898759786923836
Energy: 1.6153589746892312
Energy: 1.7368803671756348
Energy: 1.3878814765724872
Energy: 1.8764589353955117
Energy: 1.6883293087275482
Energy: 1.3774878562547481
Energy: 1.380100851852592
Energy: 1.6845103091044202
Energy: 1.7560882169001837
Energy: 1.3792669981578423
Energy: 1.3759456877855307
Energy: 1.3766157307333255
Energy: 1.683350634821555
Energy: 1.476637364403396
Energy: 1.4679003545610612
Energy: 1.4057620678015605
Energy: 1.3819872201437293
Energy: 1.382451441055864
Energy: 1.5473638288344969
Energy: 1.3797214602846812
Energy: 1.4048311952990886
Energy: 1.3783192034730383
Energy: 1.4759540241451334
Energy: 1.680734897859534
Energy: 1.3782398184118168
Energy: 1.3811314551146798
Energy: 1.3828600733671568
Energy: 1.6838665405099427
Energy: 1.6804619235456344
Energy: 1.679611160702622
Energy: 1.3792646230763776
Energy: 1.3843274486118051
Energy: 1.6825386662065127
Energy: 1.678554959094323
Energy: 1.6792117480317352
Energy: 1.5994226005291559
Energy: 1.683425378962005
Energy: 1.5664475822414088
Energy: 1.3820880819530375
Energy: 1.3744020896739815
Energy: 1.6029953188541084
Energy: 1.684132124224062
Energy: 1.8845973977976371
Energy: 1.3801024272712867
Energy: 1.578011038375103

minimum gb energy = 1.3744020896739815 eV
minimum distance =  2.12607546747399 Angstroms
sigma value = 33