Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Fe__MO_147603128437_004
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863848514854908
cohesive_energy=4.177572505228375
mass=55.845
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=[1.9931878415277001e-19, 2.7565128552643197e-19, 3.33936869294718e-19, 3.8156797844690396e-19, 4.21760181487428e-19, 4.56330346719246e-19, 4.864272347889359e-19, 5.12815083950916e-19, 5.36089903913034e-19, 5.5666826060012995e-19, 5.74849761042762e-19, 5.908955600322719e-19, 6.05015542707714e-19, 6.1739716373526595e-19, 6.28176608128818e-19, 6.37475641312554e-19, 6.45411222180756e-19, 6.52076276978196e-19, 6.57552516713208e-19, 6.61905630627786e-19, 6.651997057872899e-19, 6.6749081837391e-19, 6.688302380399339e-19, 6.69267632261016e-19, 6.687965923306199e-19, 6.67268115821784e-19, 6.644883393617939e-19, 6.602441734583279e-19, 6.54255237200436e-19, 6.46188277848246e-19, 6.356379447133559e-19, 6.22113971745762e-19, 6.05033166650688e-19, 5.836617325297619e-19, 5.57080019995068e-19, 5.24187333699048e-19, 4.83514477668324e-19, 4.3323657271677e-19, 3.7100322572230797e-19, 2.93763892373802e-19, 1.9753235720586001e-19, 7.69137710564772e-20, -7.53660684280332e-20, -2.69353129178178e-19, -5.19300694965348e-19, -8.457153449634358e-19, -1.279124952756678e-18, -1.86650373507732e-18, -2.682844773633e-18, -3.8537475012928795e-18, -5.6032602985555195e-18, -8.362160397004499e-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: 0.014521670111282204
Energy: 0.018956312428205592
Energy: 0.027276481193697903
Energy: 0.027263797637631593
Energy: 0.14550375813039967
Energy: 0.03422890844923466
Energy: 0.14685996880248725
Energy: 0.029539375557271298
Energy: 0.027546111703165815
Energy: 0.017336558301245242
Energy: 0.022091286844366034
Energy: 0.029028455091949505
Energy: 0.15190067669760723
Energy: 0.016415795963378093
Energy: 0.01591548541769012
Energy: 0.02851740702522854
Energy: 0.026847596225490294
Energy: 0.14915857133007954
Energy: 0.03523403022659073
Energy: 0.14402745027045974
Energy: 0.03356192621575369
Energy: 0.03009108047378373
Energy: 0.1425916052685152
Energy: 0.018170513542947478
Energy: 0.029159418115424815
Energy: 0.15553170946151276
Energy: 0.018380041859003906
Energy: 0.014934829046962804
Energy: 0.14662654186000473
Energy: 0.029054594690453697
Energy: 0.016717835541562632
Energy: 0.1442074318778189
Energy: 0.029343351234551278
Energy: 0.03359342281637845
Energy: 0.028169691488200938
Energy: 0.031621926328889625
Energy: 0.01570260955356372
Energy: 0.023420079901192093
Energy: 0.03349020394234388
Energy: 0.022405770913445176
Energy: 0.017002894053009403
Energy: 0.027532852389418914
Energy: 0.03276270385095334
Energy: 0.019421392759937782
Energy: 0.014978208633310704
Energy: 0.03138544860658287
Energy: 0.028597872260286882
Energy: 0.028445878312229812
Energy: 0.03040241114064388
Energy: 0.014790529766873294
Energy: 0.033470649754643055
Energy: 0.029948526013705526
Energy: 0.14449341617336697
Energy: 0.015256542967058232
Energy: 0.02064205347804469
Energy: 0.03137682716619157
Energy: 0.023764039400692858
Energy: 0.01658560238249529
Energy: 0.14347529663497044
Energy: 0.028690838149314828
Energy: 0.021219878826029246
Energy: 0.14310408880219017
Energy: 0.03128394183079325
Energy: 0.15120612618579773
Energy: 0.02918687983851009
Energy: 0.02923397286987884
Energy: 0.014897337584680868
Energy: 0.017440760949050588
Energy: 0.15247259559734608
Energy: 0.030426628053137048

minimum gb energy = 0.014521670111282204 eV
minimum distance =  2.47849178803463 Angstroms
sigma value = 3


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

Energy: 1.5053360326950311
Energy: 1.409320762753041
Energy: 1.3904114824674312
Energy: 1.331591669414476
Energy: 1.4118371406990673
Energy: 1.394141597986002
Energy: 1.3924311615788163
Energy: 1.3912277750613486
Energy: 1.3910358770833622
Energy: 1.5401597841513526
Energy: 1.327528028164151
Energy: 1.3898472730177478
Energy: 1.4373868797792073
Energy: 1.5164259785015557
Energy: 1.5548394130915721
Energy: 1.3924107457503994
Energy: 1.3902416750402398
Energy: 1.3915673068620642
Energy: 1.3978276966655696
Energy: 1.4055683669682526
Energy: 1.375053349470159
Energy: 1.3404735699694388
Energy: 1.4090799575174597
Energy: 1.405412501845626
Energy: 1.421540898755113
Energy: 1.641680207208469
Energy: 1.5384650978967531
Energy: 1.334735536737174
Energy: 1.405119662394116
Energy: 1.400492976633017
Energy: 1.5163665226641057
Energy: 1.4399661165518571
Energy: 1.4083552355194924
Energy: 1.3879690156767877
Energy: 1.3378201275195938
Energy: 1.3930584863315725
Energy: 1.3955101568033412
Energy: 1.515518813713721
Energy: 1.4074161345774712
Energy: 1.4903310413140254
Energy: 1.5501986691133833
Energy: 1.4902849363111539
Energy: 1.4899866497981717
Energy: 1.524194689276783
Energy: 1.3912701753399541
Energy: 1.3933235480790718
Energy: 1.3899476735231602
Energy: 1.3416393917496903
Energy: 1.3816587168480974
Energy: 1.341727119622956
Energy: 1.3814758497169908
Energy: 1.3440234164722098
Energy: 1.322485880782615
Energy: 1.3418748591251097
Energy: 1.4890301320867838
Energy: 1.4377542634707272
Energy: 1.393791588709217
Energy: 1.3407074166773731
Energy: 1.3387169385390305
Energy: 1.3382650283951512
Energy: 1.3367167683088719
Energy: 1.3363572483777661
Energy: 1.3389366475362512
Energy: 1.3353853905545927
Energy: 1.3232255432275055
Energy: 1.3403885744135162
Energy: 1.338849642322009
Energy: 1.3964591637949748
Energy: 1.341086997892813
Energy: 1.339634524226951
Energy: 1.3490179975099112
Energy: 1.342298153997609
Energy: 1.3442276175970214
Energy: 1.341147814389515
Energy: 1.325310674798096
Energy: 1.3376567303600848
Energy: 1.3357197675799286
Energy: 1.377689531930527
Energy: 1.3297175329258202
Energy: 1.3370630700615465
Energy: 1.3286637824202434
Energy: 1.3362107304687727
Energy: 1.3384582034879418
Energy: 1.3282337994217572
Energy: 1.3377473398631705
Energy: 1.3248594274905348
Energy: 1.3553406362425748
Energy: 1.3252061827396024
Energy: 1.3869540526976365
Energy: 1.3401872682857157
Energy: 1.3831330916206996
Energy: 1.4147441938009568
Energy: 1.3270735341158018
Energy: 1.3253976635942444
Energy: 1.3371273374169115
Energy: 1.3216661775682939
Energy: 1.3410654122491208
Energy: 1.340274942576662
Energy: 1.321886198280751
Energy: 1.3858921451285517
Energy: 1.3721054944545101
Energy: 1.377606429589921
Energy: 1.415593919202681
Energy: 1.3862632850052587
Energy: 1.5200184924639253
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Energy: 1.3575560398017374
Energy: 1.3504053017460955
Energy: 1.3785860169753708
Energy: 1.365711050552452
Energy: 1.339692096620381
Energy: 1.4151898478020901
Energy: 1.3491322802949524
Energy: 1.3275063209716256
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Energy: 1.426478828808368
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Energy: 1.4143539169672712
Energy: 1.3840989133945254
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Energy: 1.3887601429151493
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Energy: 1.466132573486436
Energy: 1.4610642427390683
Energy: 1.3833470376712442
Energy: 1.5568934036448057
Energy: 1.3228369321476188
Energy: 1.5587580057095969
Energy: 1.5607670632741302
Energy: 1.3890692442057773
Energy: 1.321261351141115
Energy: 1.3627762930541554
Energy: 1.462298423632407
Energy: 1.370796214157445
Energy: 1.3763887503463827
Energy: 1.5527039923324477
Energy: 1.4283980903612432
Energy: 1.4544118644289408
Energy: 1.440702070085332
Energy: 1.4725934571974
Energy: 1.460754250017074
Energy: 1.4725663471398078
Energy: 1.4643753384351068
Energy: 1.3662350012413822
Energy: 1.377791514016748
Energy: 1.4266890349323627
Energy: 1.35278908913671
Energy: 1.4159570079427728
Energy: 1.3828379974151543
Energy: 1.4318173788254782
Energy: 1.4665274839028348
Energy: 1.4792059858374018
Energy: 1.3217359090564869
Energy: 1.709820901010077
Energy: 1.5138183162563437
Energy: 1.4316645897442828
Energy: 1.4667883133880792
Energy: 1.5339728974443223
Energy: 1.3375703057769606
Energy: 1.4618664127134782
Energy: 1.4684910692881674
Energy: 1.338927025950246
Energy: 1.3241776693337555
Energy: 1.4270830249389819
Energy: 1.404990636453976
Energy: 1.4745641299438852
Energy: 1.4416110451163644
Energy: 1.336799586972278
Energy: 1.4944154611716438
Energy: 1.37185868926921
Energy: 1.4769538314955866
Energy: 1.451024526436975
Energy: 1.3277078402452211
Energy: 1.5039143476178405
Energy: 1.41121480272873
Energy: 1.3920554539355328
Energy: 1.4320034597128075
Energy: 1.4309463055151976
Energy: 1.3502807665571726
Energy: 1.3912990904508515
Energy: 1.3265030011119547
Energy: 1.4823115083102767
Energy: 1.5116844592119545
Energy: 1.4337921028810923
Energy: 1.5482068856970042
Energy: 1.4321359863915095
Energy: 1.4004411775990266
Energy: 1.4417749696204014
Energy: 1.3207801588716395
Energy: 1.3239947519259814
Energy: 1.3241018975041803
Energy: 1.3404210355627009
Energy: 1.3400002601448624
Energy: 1.431196868481581
Energy: 1.3323965682333252
Energy: 1.4285305309169114
Energy: 1.3257395082250674
Energy: 1.3280472617001218
Energy: 1.3202861650987123
Energy: 1.3234800330021674
Energy: 1.3430244955413286
Energy: 1.348752447007215
Energy: 1.3400682087748368
Energy: 1.331380594950727
Energy: 1.3526580355522135
Energy: 1.3355195181352337
Energy: 1.3244062755588684
Energy: 1.3191619202099156
Energy: 1.3830422636867346
Energy: 1.351832252247698
Energy: 1.34280764515171
Energy: 1.3277600586836675
Energy: 1.3468228148824666
Energy: 1.3503053446766653
Energy: 1.343900643332134
Energy: 1.3492211307543434
Energy: 1.3382061305862447
Energy: 1.3480853414717329
Energy: 1.3342200717370936
Energy: 1.3328849437510015
Energy: 1.3393072608156025
Energy: 1.3428183481409983
Energy: 1.3220506411989978
Energy: 1.3231584118729285
Energy: 1.3198306006899239
Energy: 1.3207613003820171
Energy: 1.335829551340236
Energy: 1.3392516608033798
Energy: 1.342215209804401
Energy: 1.339236603296503
Energy: 1.385182839080041
Energy: 1.339183652462868
Energy: 1.393090215314521
Energy: 1.3206068989295738
Energy: 1.327944677693812
Energy: 1.3396383667060143
Energy: 1.3706496718507764
Energy: 1.3378823412379028
Energy: 1.3491168904253859
Energy: 1.3494836078620487
Energy: 1.3342202818365516
Energy: 1.3255217402481316
Energy: 1.3394179508390138
Energy: 1.3947459865929546
Energy: 1.322449151497165
Energy: 1.3990932076084726
Energy: 1.5137947597929766
Energy: 1.3968639868684953
Energy: 1.394619188255644
Energy: 1.3892219935142085
Energy: 1.3387812513246504
Energy: 1.3340734253210467
Energy: 1.3348948025602208
Energy: 1.3899102851627942
Energy: 1.3921057536354073
Energy: 1.3945581818033859
Energy: 1.4505527339940463
Energy: 1.5271651946455351
Energy: 1.4049448815573904
Energy: 1.3902369018580334
Energy: 1.5576911443822532
Energy: 1.3904966675746022
Energy: 1.342026856804002
Energy: 1.391843580969447
Energy: 1.3949490183231597
Energy: 1.3356323768497567
Energy: 1.3374407666259411
Energy: 1.4061341285534001
Energy: 1.3212474773068197
Energy: 1.3394369342868786
Energy: 1.5323628973616295
Energy: 1.410294880865417
Energy: 1.444914580220802
Energy: 1.560373450164393
Energy: 1.409813800726548
Energy: 1.3387872987066227
Energy: 1.493824080910365
Energy: 1.3979800516732586
Energy: 1.3261209806893683
Energy: 1.3327402607391192
Energy: 1.6482326078721836
Energy: 1.4100736374291944
Energy: 1.3958532168702826
Energy: 1.4584491297774462
Energy: 1.4897385622186248
Energy: 1.410518129774913

minimum gb energy = 1.3191619202099156 eV
minimum distance =  2.30310336007128 Angstroms
sigma value = 75


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

Energy: 1.3749738141851064
Energy: 1.3761672242640677
Energy: 1.4617901749948028
Energy: 1.338490948202046
Energy: 1.369828116603683
Energy: 1.36492736335837
Energy: 1.3699533879106223
Energy: 1.3562249471648886
Energy: 1.3832680063552283
Energy: 1.3768973805258904
Energy: 1.3255172200077214
Energy: 1.3874636064787889
Energy: 1.3950644253342088
Energy: 1.383534161434878
Energy: 1.3865913680811328
Energy: 1.3907734986588978
Energy: 1.3590268403608383
Energy: 1.3591366989279094
Energy: 1.3648416173553062
Energy: 1.3698914698236704
Energy: 1.4466313135280529
Energy: 1.3627159373806916
Energy: 1.3660283078567206
Energy: 1.3722910406055353
Energy: 1.3837541451338333
Energy: 1.3563954924774464
Energy: 1.3825572454949526
Energy: 1.3389296992840645
Energy: 1.4211303188196203
Energy: 1.3683720523577336
Energy: 1.389379398306659
Energy: 1.4168437882215008
Energy: 1.3642032302881226
Energy: 1.3877140585322814
Energy: 1.350165836407779
Energy: 1.3755321693721716
Energy: 1.3858439728698682
Energy: 1.436431751858214
Energy: 1.353810200513498
Energy: 1.3687254306514767
Energy: 1.4456554085983864
Energy: 1.388367254770967
Energy: 1.3571793479330656
Energy: 1.3891486052174509
Energy: 1.3564855655208587
Energy: 1.3581208685099935
Energy: 1.3574951537637325
Energy: 1.3660507798077748
Energy: 1.3826642734156667
Energy: 1.367037309006572
Energy: 1.3595469515235383
Energy: 1.3968299649298128
Energy: 1.3561269195369658
Energy: 1.355141897747022
Energy: 1.392008135897975
Energy: 1.3525848932859936
Energy: 1.3539958705877084
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Energy: 1.3588033818971939
Energy: 1.3556733647077146
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Energy: 1.3765969983064534
Energy: 1.3630013880796468
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Energy: 1.3532275154448823
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Energy: 1.3735165265596994
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Energy: 1.3902172644973505
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Energy: 1.3972605853751439
Energy: 1.353423796161319
Energy: 1.3446598427859968
Energy: 1.387727554931665
Energy: 1.3397581722268288
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Energy: 1.3672562905878038
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Energy: 1.3640137452740666
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Energy: 1.390416997461665
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Energy: 1.3611028238407437
Energy: 1.358758394346167
Energy: 1.4714231635705812
Energy: 1.3847592397327997
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Energy: 1.3599352891584615
Energy: 1.3877784224471463
Energy: 1.3927720153096965
Energy: 1.3892717735999485
Energy: 1.3923478820685402
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Energy: 1.3541692851473173
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Energy: 1.4341216768413416
Energy: 1.420005407687546
Energy: 1.3681982340065388
Energy: 1.354114843570165
Energy: 1.3739383733522936
Energy: 1.39347330848143
Energy: 1.3933101378281847
Energy: 1.340902551404605
Energy: 1.3919335905101329
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Energy: 1.3660202435657014
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Energy: 1.4074494294671058
Energy: 1.4138171142093314
Energy: 1.3952560544181722
Energy: 1.3584083989572124
Energy: 1.3849510187523506
Energy: 1.3547686061738398
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Energy: 1.364814704611097
Energy: 1.3655351167508054
Energy: 1.3672449655457461
Energy: 1.356151089906627
Energy: 1.356145312470321
Energy: 1.3605135515591489
Energy: 1.3909662850113724
Energy: 1.3989028760717068
Energy: 1.3387257610905667
Energy: 1.374721147029444
Energy: 1.3915164635435449
Energy: 1.3609005346766585
Energy: 1.3613953220073072
Energy: 1.3612199680883759
Energy: 1.3866653238634656
Energy: 1.3597572768169814
Energy: 1.3571449241700828
Energy: 1.3614060418492608
Energy: 1.36198224074008
Energy: 1.3658427009795484
Energy: 1.3909871405382643
Energy: 1.3591177381604482
Energy: 1.3595015327835174
Energy: 1.3645792678105806
Energy: 1.4202776142633067
Energy: 1.3573092630473393
Energy: 1.380992201261353
Energy: 1.3453553825720959
Energy: 1.4154709040299869
Energy: 1.416947016400572
Energy: 1.3784973500656434
Energy: 1.3751308082867195
Energy: 1.4453549177430394
Energy: 1.4077119961649025
Energy: 1.3828961017679664
Energy: 1.4098485372187777
Energy: 1.4156387616713932
Energy: 1.3397254465603394
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Energy: 1.4428874618402459
Energy: 1.368725260103127
Energy: 1.3923109680236558
Energy: 1.3714897446221268
Energy: 1.3620455377651792
Energy: 1.3553063367147435
Energy: 1.4678629841844955
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minimum gb energy = 1.3086134815332569 eV
minimum distance =  2.29567698558709 Angstroms
sigma value = 105


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

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Energy: 1.418152965283749
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Energy: 1.477061847842729
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Energy: 1.4489668681321652
Energy: 1.4402799677289129
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Energy: 1.4273262967325524
Energy: 1.426305985300399
Energy: 1.4233624713310116
Energy: 1.5041636607730844
Energy: 1.5277460915921492
Energy: 1.4405635965471904
Energy: 1.4584687817591295
Energy: 1.4186594043917273
Energy: 1.4409694388341978
Energy: 1.4559918584905416
Energy: 1.4559031625649157
Energy: 1.44809625240494
Energy: 1.4556102505414015
Energy: 1.4666854310798296
Energy: 1.4524933155731803
Energy: 1.4563959544593872
Energy: 1.4978685863486902
Energy: 1.4633135192898374
Energy: 1.431670013371419
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Energy: 1.4012232942577267
Energy: 1.4510547913688001
Energy: 1.4496079811126312
Energy: 1.450540708633301
Energy: 1.4497858273799484
Energy: 1.450001126268223
Energy: 1.451285003366997
Energy: 1.459090598033776
Energy: 1.4491711299269219
Energy: 1.4558489970504904
Energy: 1.4391586101281053
Energy: 1.541334188866627
Energy: 1.4484350854362595
Energy: 1.4706519874010984
Energy: 1.4556084457773641
Energy: 1.4486633896455503
Energy: 1.4552030240167793
Energy: 1.4555268906398222
Energy: 1.4574456805331273
Energy: 1.455574316247956
Energy: 1.5790349217750896
Energy: 1.420886643928308
Energy: 1.4802444038092595
Energy: 1.5272607789671058
Energy: 1.5250984865268766
Energy: 1.449665674560799
Energy: 1.4939894456799665
Energy: 1.4550083445116322
Energy: 1.4981212887867348
Energy: 1.526462441304376
Energy: 1.430346855342119
Energy: 1.4320535191567823
Energy: 1.476798292318803
Energy: 1.5510463419191063
Energy: 1.454256343887689
Energy: 1.4377509547957152
Energy: 1.5070608660324698
Energy: 1.4498783298213271
Energy: 1.5226496381937091
Energy: 1.4697739593557866
Energy: 1.48978703225654
Energy: 1.4258764048866248
Energy: 1.458792045342961
Energy: 1.4381661205490148
Energy: 1.4288432271758833
Energy: 1.428161538483887
Energy: 1.4675672462651035
Energy: 1.5262450306379058

minimum gb energy = 1.3852248696772207 eV
minimum distance =  2.29263437603296 Angstroms
sigma value = 165


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

Energy: 1.6231403260040145
Energy: 1.447928987100048
Energy: 1.4510282942872696
Energy: 1.4642039066808687
Energy: 1.4809395860553083
Energy: 1.461659408409042
Energy: 1.46033112288378
Energy: 1.4496255015322435
Energy: 1.451839984732672
Energy: 1.4441233264076088
Energy: 1.4455476691907732
Energy: 1.4489472722735801
Energy: 1.4781521074340251
Energy: 1.5821928197639066
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Energy: 1.460362689688678
Energy: 1.4628448547260118
Energy: 1.4780730452148012
Energy: 1.4632792812518727
Energy: 1.4509249117637335
Energy: 1.483744023766507
Energy: 1.553068177718509
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Energy: 1.4784555088395421
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Energy: 1.4500929783506344
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Energy: 1.4524295980192499
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Energy: 1.444067076317687
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Energy: 1.5844154678398372
Energy: 1.4740293088491465
Energy: 1.484107498753453
Energy: 1.4619191595480865
Energy: 1.4801157969853227
Energy: 1.4620236968156357
Energy: 1.4657474236855066
Energy: 1.4824783950016198
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Energy: 1.4616897392793462
Energy: 1.5065865321571297
Energy: 1.456808712376327
Energy: 1.4615609561435605
Energy: 1.4620958614156454
Energy: 1.463328706111378
Energy: 1.480238651889088
Energy: 1.4772380393130196
Energy: 1.4808277027971928
Energy: 1.4640474889176545
Energy: 1.461573538845265
Energy: 1.4782411218603555
Energy: 1.4812385225126288
Energy: 1.4618544541369132
Energy: 1.4828767193774242
Energy: 1.4521022474185195
Energy: 1.4500422600953131
Energy: 1.464045052624258
Energy: 1.461763892156296
Energy: 1.478239029057967
Energy: 1.479660579401347
Energy: 1.4626822955651637
Energy: 1.4636247825486315
Energy: 1.4526493716771385
Energy: 1.4820825163284317
Energy: 1.4500681265747475
Energy: 1.4774336265249073
Energy: 1.4637195374021912
Energy: 1.4619801583257186
Energy: 1.4627372156199545
Energy: 1.4799482879199866
Energy: 1.4488967292006734
Energy: 1.4526028768776336
Energy: 1.4495202586785416
Energy: 1.4860005042648585
Energy: 1.4616266175182122
Energy: 1.462622728285287
Energy: 1.444177570191906
Energy: 1.4634057547002546
Energy: 1.4614897328033538
Energy: 1.4852932946466597
Energy: 1.4609699822122753
Energy: 1.4619397680298098
Energy: 1.4627429599391644
Energy: 1.4453565493239249
Energy: 1.4815518687078195
Energy: 1.4512570397796352
Energy: 1.4518779779109159
Energy: 1.4636263486772496
Energy: 1.4801220824134433
Energy: 1.4463655267005306
Energy: 1.4484079393665417
Energy: 1.4782969770129557
Energy: 1.5463306068374318

minimum gb energy = 1.4426203878841553 eV
minimum distance =  2.28157961935442 Angstroms
sigma value = 41


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

Energy: 3.635001970659097
Energy: 1.2242251919763547
Energy: 1.215192540579612
Energy: 1.2602339622237109
Energy: 1.182838053146857
Energy: 1.2324733702220478
Energy: 1.1771911396728134
Energy: 1.3250001796513273
Energy: 1.330922110759518
Energy: 1.1692421052030566
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Energy: 1.2899973426126845
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Energy: 1.1968718405279457
Energy: 1.1894638390040961
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Energy: 1.189065951304608
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Energy: 1.170159592674293
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Energy: 1.189404561723447
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Energy: 1.3047109627469247
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Energy: 1.201519993001615
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Energy: 1.3024091185900872
Energy: 1.1897947269947728
Energy: 1.2847085756888257
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Energy: 1.1578505242230201
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Energy: 1.237459736217862
Energy: 1.3036488358430474
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Energy: 1.2320693017916577
Energy: 1.1891025854715422
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Energy: 1.2829161934170832
Energy: 1.318195586465528
Energy: 1.2031378018690622
Energy: 1.2166599335882624
Energy: 1.2503713275775963
Energy: 1.3070656992284277
Energy: 1.2865839092218814
Energy: 1.1940096075773206
Energy: 1.1882171202090848
Energy: 1.188714768917036
Energy: 1.1903605842590708
Energy: 1.123506257806212
Energy: 1.2589848328787365
Energy: 1.2270990273177023
Energy: 1.164700492780411
Energy: 1.311611807861731
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Energy: 1.195758213662128
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Energy: 1.365640513794472
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Energy: 1.2200185090800657
Energy: 1.199959684095311
Energy: 1.1844673189959098
Energy: 1.182671267496619
Energy: 1.1498043459325717
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Energy: 1.1475370159253178
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Energy: 1.1505724604987648
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Energy: 1.2845373288978705
Energy: 1.163771683713319
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Energy: 1.1465185917576823
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Energy: 1.1720433364771727
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Energy: 1.2602539638715349
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Energy: 1.2146682764197245
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Energy: 1.1644283081483486
Energy: 1.1559546498655766
Energy: 1.1702966060780018
Energy: 1.151055025183804
Energy: 1.2547539090152746
Energy: 1.3459067743607993
Energy: 1.179347216034448
Energy: 1.1786471221160926
Energy: 1.1901118193658617
Energy: 1.174965296388627
Energy: 1.3355229938365265
Energy: 1.260229011576764
Energy: 1.1737563372896405
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Energy: 1.2726535651935797
Energy: 1.1499997405218407
Energy: 1.1213869044207105
Energy: 1.3364880317334291
Energy: 1.218997785048941
Energy: 1.1765153729689914
Energy: 1.2936108997075668
Energy: 1.3248978813898808
Energy: 1.1924076093328455
Energy: 1.1463526374022286
Energy: 1.238752572839777
Energy: 1.1582147326392473
Energy: 1.1968498945528134
Energy: 1.1923203603206352
Energy: 1.1721094979247242
Energy: 1.2239269725449986
Energy: 1.2717481362551912
Energy: 1.1787992945880774
Energy: 1.1756158052783767
Energy: 1.1733886466715588
Energy: 1.1807901171448898
Energy: 1.1897916593199716
Energy: 1.1785901732743602
Energy: 1.1965050376500033
Energy: 1.1853849420594686
Energy: 1.3310185231905705
Energy: 1.300527920750636
Energy: 1.1832147466594352
Energy: 1.1810342919879804
Energy: 1.1787451556003516
Energy: 1.1766827604634646
Energy: 1.1881893039730371
Energy: 1.1795325667611343
Energy: 1.2092082809612703
Energy: 1.2969050814286864
Energy: 1.177088179045933
Energy: 1.2978814089171582
Energy: 1.1719736356082793
Energy: 1.1797108841112767
Energy: 1.1944710281250095
Energy: 1.1933577091303738
Energy: 1.190086046799973
Energy: 1.19442588282583
Energy: 1.1788677894579491
Energy: 1.1791553424728225
Energy: 1.1798143768983038
Energy: 1.1790060107978722
Energy: 1.3263975346036245
Energy: 1.2420385424885638
Energy: 1.189767152368284
Energy: 1.1764415827200354
Energy: 1.1388123323238346
Energy: 1.2790275743454869
Energy: 1.2660359878713567
Energy: 1.2122198329034868
Energy: 1.1849711740454736
Energy: 1.1888141095050377
Energy: 1.1774299730543825
Energy: 1.3625334591855842
Energy: 1.2338193515841862
Energy: 1.136928315617273

minimum gb energy = 1.1213869044207105 eV
minimum distance =  2.30979846001137 Angstroms
sigma value = 185


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

Energy: 3.4579256718840585
Energy: 1.6054292761592237
Energy: 1.546335597262078
Energy: 1.583228991840458
Energy: 1.5717261273936314
Energy: 1.6124474579570416
Energy: 1.6028793000188069
Energy: 1.5820033069172739
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Energy: 1.6734692021611566
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Energy: 1.5683178549063503
Energy: 1.6013239763559204
Energy: 1.6220400301951579
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Energy: 1.692364345529051
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Energy: 1.5484469532899003
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Energy: 1.6085437521709738
Energy: 1.6212902434546341
Energy: 1.5923506503165592
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Energy: 1.624988034012834
Energy: 1.5967208255965255
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Energy: 1.6529738584610745
Energy: 1.5933341700747201
Energy: 1.6156275688454889
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Energy: 1.5905837073219737
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Energy: 1.6468474727862081
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Energy: 1.6113734772096708
Energy: 1.7385659599482695
Energy: 1.594816500503987
Energy: 1.61772744765385
Energy: 1.6365004124718168
Energy: 1.5893309777838511
Energy: 1.5575226934803807
Energy: 1.5891434351956244
Energy: 1.5430790257695384
Energy: 1.6338316769199905
Energy: 1.6037511143860204
Energy: 1.6353686073246791
Energy: 1.6264469051960901
Energy: 1.6074529578874193
Energy: 1.5392202361268785
Energy: 1.6169940742731768
Energy: 1.6576319619803679
Energy: 1.5808939979385495
Energy: 1.5903803508817538
Energy: 1.58040890415139
Energy: 1.6612937385220299
Energy: 1.578658603028118
Energy: 1.6185907340317052
Energy: 1.5758224221158015
Energy: 1.5970297888818863
Energy: 1.557389432776914
Energy: 1.5614510795592609
Energy: 1.5442196831644281
Energy: 1.6204125656457937
Energy: 1.6219111844233571
Energy: 1.5795563716093846
Energy: 1.557561720943843
Energy: 1.5922422380352084
Energy: 1.604870590705408
Energy: 1.581574987850461
Energy: 1.5766654216513558
Energy: 1.574874843286389
Energy: 1.5730259164696136
Energy: 1.5559412431910133
Energy: 1.5861300075539368
Energy: 1.6047112876814416
Energy: 1.594597386413127
Energy: 1.6139695508650824
Energy: 1.6323470226332437
Energy: 1.6328327143200694
Energy: 1.6195638592770583
Energy: 1.6069039517964288
Energy: 1.6051716550091497
Energy: 1.5871103163154043
Energy: 1.6938450530856988
Energy: 1.6094336357014667
Energy: 1.5822535707681042
Energy: 1.595549934516944
Energy: 1.577758610156767
Energy: 1.59532432723291
Energy: 1.5985993346400325
Energy: 1.589342268565356
Energy: 1.679062975178485
Energy: 1.6191344911241936
Energy: 1.5478533240380623
Energy: 1.6217982469584808
Energy: 1.612495635462758
Energy: 1.6384242700102811
Energy: 1.6231959213062745
Energy: 1.5847320135036294
Energy: 1.6228365661902764
Energy: 1.5887130067426687
Energy: 1.676937486503312
Energy: 1.60578698929617
Energy: 1.6659971092319596
Energy: 1.613268887070575
Energy: 1.628851813941742
Energy: 1.6443912150686353
Energy: 1.6240371908398092

minimum gb energy = 1.5078413726961197 eV
minimum distance =  2.26551030172505 Angstroms
sigma value = 33


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

Energy: 1.4891355777355506
Energy: 1.4395840974720173
Energy: 1.4475962179676314
Energy: 1.4644330612383878
Energy: 1.463950833703722
Energy: 1.4866510686778758
Energy: 1.6334669228039838
Energy: 1.5461065137986971
Energy: 1.4708364686526765
Energy: 1.4338551790292275
Energy: 1.434305071142814
Energy: 1.6333894606067914
Energy: 1.5336347492894906
Energy: 1.5521402650376555
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Energy: 1.4507061695529102
Energy: 1.5255060647687175
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Energy: 1.4738457331884438
Energy: 1.4553297653923516
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Energy: 1.5599635563758545
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Energy: 1.4528478141983199
Energy: 1.4590415128973935
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Energy: 1.4655229153663138
Energy: 1.4554481920404347
Energy: 1.4543505115776671
Energy: 1.4494947079186935
Energy: 1.5859086795338126
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Energy: 1.4540831885940713
Energy: 1.4559561772452554
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Energy: 1.455480910290277
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Energy: 1.6110906313802698
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Energy: 1.4527124256381758
Energy: 1.4497278991062448
Energy: 1.463257271365571
Energy: 1.5054981145089505
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Energy: 1.6445272551668757
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Energy: 1.4426522024752304
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Energy: 1.4605724107552356
Energy: 1.6127971684360234
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Energy: 1.44571382376098
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Energy: 1.4469132024954483
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Energy: 1.4462962768793752
Energy: 1.4428363785192047
Energy: 1.491509161515018
Energy: 1.477962171645376
Energy: 1.494561610674252
Energy: 1.4427205623919304
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Energy: 1.454948727140187
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Energy: 1.488368118518879
Energy: 1.6414648256161648
Energy: 1.5649146560665022
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Energy: 1.602023133468863
Energy: 1.5708604782542397
Energy: 1.469769316929438
Energy: 1.6752217151726752
Energy: 1.5144078131563352
Energy: 1.502374628681257
Energy: 1.6607052138313965
Energy: 1.4875875134744272
Energy: 1.4537142135163121
Energy: 1.4433846577474116
Energy: 1.4443021303352437
Energy: 1.6548648084699151
Energy: 1.5326765990127296
Energy: 1.5516883113458755
Energy: 1.5520953034717122
Energy: 1.4842322526713636
Energy: 1.4571996242327017
Energy: 1.4580068478992105
Energy: 1.4562850954768698
Energy: 1.4575174668945639
Energy: 1.445200735179753
Energy: 1.444356555107538
Energy: 1.4617278418806696
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Energy: 1.453759624582942
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Energy: 1.5758005951152094
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Energy: 1.452578475278132
Energy: 1.4564202165197215
Energy: 1.4765062295342433
Energy: 1.4523847542007589
Energy: 1.4508022080055296
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Energy: 1.4647174132884297
Energy: 1.5334869266699538
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Energy: 1.5294483678020105
Energy: 1.632524547802165
Energy: 1.5725795701501508
Energy: 1.451415256364517
Energy: 1.433910302674786

minimum gb energy = 1.4061505337408238 eV
minimum distance =  2.26962553527336 Angstroms
sigma value = 219


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

Energy: 2.8748328250703636
Energy: 1.1354006197290463
Energy: 1.1995178405283846
Energy: 1.2798498134525331
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Energy: 1.1980471970060993
Energy: 1.1931104634548857
Energy: 1.2170182157179816
Energy: 1.1889991027481561
Energy: 1.2070574132540277
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Energy: 1.205258391317557
Energy: 1.2088919001796337
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Energy: 1.139492418846439
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Energy: 1.204040530554788
Energy: 1.1375847752761312
Energy: 1.139691166110592
Energy: 1.2034163450691833
Energy: 1.1987927918716406

minimum gb energy = 1.127281936147577 eV
minimum distance =  2.33617949468047 Angstroms
sigma value = 15


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

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Energy: 1.6721349107497359
Energy: 1.7245174226304798
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Energy: 1.727627659392109
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Energy: 1.751185821010526
Energy: 1.6853902564025536
Energy: 1.6540899224369328
Energy: 1.7304821909660648
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minimum gb energy = 1.6179344844736683 eV
minimum distance =  2.27206297496687 Angstroms
sigma value = 293


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

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Energy: 1.735750904160829
Energy: 1.60460747103144
Energy: 1.6279797492330592
Energy: 1.7568259895289622
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Energy: 1.6753295138722515
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Energy: 1.6128895035289135
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Energy: 1.632889496043718
Energy: 1.6453446536480574
Energy: 1.615730248860955
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Energy: 1.5901966698365064
Energy: 1.6380026567690826
Energy: 1.684558595790634
Energy: 1.700662271046156
Energy: 1.669388796013245
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Energy: 1.7046902047455703
Energy: 1.7307784891017903
Energy: 1.7949692991342345
Energy: 1.6703470873140362
Energy: 1.679736598959518
Energy: 1.6834727872827315
Energy: 1.7296414006997822
Energy: 1.6976915231820933
Energy: 1.6774768504317084
Energy: 1.6975428879925292
Energy: 1.6412409282737463
Energy: 1.7320850497457787
Energy: 1.7244412648170848
Energy: 1.6393461948002688
Energy: 1.690383572291967
Energy: 1.638578795605373
Energy: 1.7283016979945938
Energy: 1.6385677427101393
Energy: 1.6679944250116114
Energy: 1.642025857768874
Energy: 1.6989996253260942
Energy: 1.6661282386516727
Energy: 1.6544091743933842
Energy: 1.5194588923389087
Energy: 1.6618970398134472
Energy: 1.6733959695621738
Energy: 1.6844506437242597
Energy: 1.6811789782915163
Energy: 1.61219301717465
Energy: 1.6327769502981222
Energy: 1.6388680720460436
Energy: 1.6904788714346426
Energy: 1.6014149140269802
Energy: 1.6297902487757205
Energy: 1.735969757282375
Energy: 1.7438976043132992
Energy: 1.612291574521817
Energy: 1.6638520619779846
Energy: 1.7023251301949358
Energy: 1.5969040857956212
Energy: 1.631608085197704
Energy: 1.6040515737612642
Energy: 1.6374167294666722
Energy: 1.6755525041849546
Energy: 1.6783138755499067
Energy: 1.64529150489725
Energy: 1.7249715765411557
Energy: 1.6291109411326057
Energy: 1.6306920893135386
Energy: 1.6351323405693288
Energy: 1.6350885166531761
Energy: 1.609650724735642
Energy: 1.6071407767006243
Energy: 1.6738683703001438
Energy: 1.6775719575151673
Energy: 1.6443470578741288
Energy: 1.7315321573640925
Energy: 1.768413740918687
Energy: 1.6514740786983721
Energy: 1.6445173582405748
Energy: 1.6608168182660425
Energy: 1.6059022465671537
Energy: 1.7051913619236987
Energy: 1.6534408727623937
Energy: 1.5553547464546538
Energy: 1.653996655457043
Energy: 1.6779476022779858
Energy: 1.6353171536516857

minimum gb energy = 1.5194588923389087 eV
minimum distance =  2.27667734889305 Angstroms
sigma value = 293


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

Energy: 1.8897115895722962
Energy: 1.1777550392051233
Energy: 1.491183278014624
Energy: 1.48820015178185
Energy: 1.3207051310915785
Energy: 1.524220628643162
Energy: 1.335574421706273
Energy: 1.3385492230931166
Energy: 1.3304938096776282
Energy: 1.1753444633925925
Energy: 1.168691165335428
Energy: 1.3281281753517873
Energy: 1.485248528578142
Energy: 1.2241235397847647
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Energy: 1.3354106221518058
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Energy: 1.5319614176371292
Energy: 1.318665288470078
Energy: 1.4910013463230873
Energy: 1.5211435650074838
Energy: 1.3221888320812916
Energy: 1.333839816544251
Energy: 1.4883275486949807
Energy: 1.4800777558754405
Energy: 1.3352404910216975
Energy: 1.336635822885686
Energy: 1.3374335177772982
Energy: 1.3279680865127124
Energy: 1.3263391714416906
Energy: 1.1766362945586983
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Energy: 1.4974542578606946
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Energy: 1.3200765452421452
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Energy: 1.486080022903999
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Energy: 1.3299609390037903
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Energy: 1.5226428473680653
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Energy: 1.3402569747239748
Energy: 1.5294185032674668
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Energy: 1.3386164363832946
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Energy: 1.4989104980608678
Energy: 1.3177672967770968
Energy: 1.3363859991363045
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Energy: 1.3371235860341448
Energy: 1.3368252858091696
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Energy: 1.1771891561027727
Energy: 1.1765075742806939
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Energy: 1.3287857432067625
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Energy: 1.3347706399952428
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Energy: 1.4792421803258924
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Energy: 1.2244104459005267
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Energy: 1.3378435009621295
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Energy: 1.3291468317688298
Energy: 1.3399789495791097
Energy: 1.1773249298455875
Energy: 1.3355038951443687
Energy: 1.327149051527351
Energy: 1.1765008577171654
Energy: 1.1784269474571725
Energy: 1.4900036246782038
Energy: 1.5204152829929347
Energy: 1.2253952831356754
Energy: 1.4860403707773076
Energy: 1.3351539410480284
Energy: 1.3375946586275105
Energy: 1.3454243937452788
Energy: 1.3413830475342072
Energy: 1.1769025772762092
Energy: 1.1761615851726388
Energy: 1.3195626371937053
Energy: 1.3293282524778973
Energy: 1.4877232081200293
Energy: 1.4776128217601618
Energy: 1.3175277823276357
Energy: 1.3405269803964037
Energy: 1.3359870837274095
Energy: 1.3378783425923182
Energy: 1.3293313755697023
Energy: 1.4819160995913494
Energy: 1.5268877921628816
Energy: 1.4869245817458556
Energy: 1.486145348309485
Energy: 1.486753265468892
Energy: 1.4885936285627568
Energy: 1.3367560816511523
Energy: 1.3373441830421875
Energy: 1.3344450123137281
Energy: 1.497385958177799
Energy: 1.4892132272679233
Energy: 1.3305553519163493
Energy: 1.3194855582657694
Energy: 1.4791921501950833
Energy: 1.496991212952563
Energy: 1.329458614705741
Energy: 1.333221544667178
Energy: 1.5231012885774626
Energy: 1.3376408838819063
Energy: 1.3369491829514821
Energy: 1.3296323782815413
Energy: 1.176623768297626
Energy: 1.1673198314708118
Energy: 1.3179827433049283
Energy: 1.5003511503503195
Energy: 1.225117261928713
Energy: 1.3170564174032706
Energy: 1.337016986724933
Energy: 1.3280052257522343
Energy: 1.328282329926427
Energy: 1.332018531537289
Energy: 1.1707064091764285
Energy: 1.3375746879249806
Energy: 1.5267915626253574
Energy: 1.3212144917386344
Energy: 1.5158173964054518
Energy: 1.4774418979864916
Energy: 1.494781319144394
Energy: 1.3465784723560186
Energy: 1.3391337545545294
Energy: 1.333087928693651
Energy: 1.4791034316904805
Energy: 1.5153458929951358
Energy: 1.1763299003758418
Energy: 1.3428303391476333
Energy: 1.5262736421382705
Energy: 1.484706743265242
Energy: 1.3183655600223516
Energy: 1.3275511084077667
Energy: 1.3277458211377815
Energy: 1.5197114622172359
Energy: 1.4898670444907272
Energy: 1.3309134853669398

minimum gb energy = 1.1673198314708118 eV
minimum distance =  2.35859954263232 Angstroms
sigma value = 15


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

Energy: 1.5548008504547526
Energy: 1.3638344116749277
Energy: 1.3297537636962788
Energy: 1.3240207111765145
Energy: 1.3125344038414548
Energy: 1.3529490648613978
Energy: 1.307681068255407
Energy: 1.317767019351844
Energy: 1.3212817532152286
Energy: 1.3964778712516692
Energy: 1.4227308992428753
Energy: 1.430019200040648
Energy: 1.352621474363654
Energy: 1.3084503340271039
Energy: 1.3193076604770717
Energy: 1.3281871118780626
Energy: 1.3044662105463192
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Energy: 1.5552936763437326
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Energy: 1.4752023607596996
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Energy: 1.3152884055255742
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Energy: 1.3236804234903297
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Energy: 1.42719599985917
Energy: 1.3238510120083322
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Energy: 1.3532974744465687
Energy: 1.4787216630070108
Energy: 1.533899684751835
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Energy: 1.3108419454720865
Energy: 1.3214552592642714
Energy: 1.3305322022892203
Energy: 1.333741127234325
Energy: 1.3203368163327582
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Energy: 1.5910715661826906
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Energy: 1.331912457779206
Energy: 1.3212993900836103
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Energy: 1.3190129386395841
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Energy: 1.3177194998468764
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Energy: 1.3706530756400457
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Energy: 1.310556728954042
Energy: 1.331553798410988
Energy: 1.326435007260449
Energy: 1.3285342210318707
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Energy: 1.4322150396407474
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Energy: 1.3921750741606438
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Energy: 1.304300982668582
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Energy: 1.4949634273186951
Energy: 1.3156172610431474
Energy: 1.3119177743570192
Energy: 1.3143730310701585
Energy: 1.306857457106089
Energy: 1.4255991937375092
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Energy: 1.5843856624461412
Energy: 1.5163741760991267
Energy: 1.3304505099361241
Energy: 1.3252779517539017
Energy: 1.343628126595319
Energy: 1.305468622934182
Energy: 1.316138209659335
Energy: 1.3076225812638866
Energy: 1.3525929758365351
Energy: 1.4789370092195364
Energy: 1.3974900705962794
Energy: 1.5793582302949425
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Energy: 1.3179301436891306
Energy: 1.3328370128570235
Energy: 1.3356740861225282
Energy: 1.3453620002458369
Energy: 1.316700609718685
Energy: 1.324564199977315
Energy: 1.2438755810008253
Energy: 1.3824703871585153
Energy: 1.3297665819052427
Energy: 1.3260941995268731
Energy: 1.3214001212988626
Energy: 1.3150056996893849
Energy: 1.3237079516022758
Energy: 1.3085263655804573
Energy: 1.3007289357543963
Energy: 1.3162580750952135
Energy: 1.4863950978062144
Energy: 1.2263638321648143
Energy: 1.4894557225940572
Energy: 1.3539041901678026
Energy: 1.3021297288800233
Energy: 1.3207993413839894
Energy: 1.3225431144603808
Energy: 1.307274942384071
Energy: 1.3051761198136584
Energy: 1.3268979418408489
Energy: 1.3222244984730036
Energy: 1.503916611158273
Energy: 1.4761699850651049
Energy: 1.475104144593004
Energy: 1.3261768151797426
Energy: 1.3210782066253381
Energy: 1.32284573041801
Energy: 1.321194613419145
Energy: 1.3084391112129201
Energy: 1.2452575880166938
Energy: 1.5315742831556634
Energy: 1.4788506612020529
Energy: 1.3927869843320522
Energy: 1.4183506768183363
Energy: 1.3255433253818123
Energy: 1.3306135164022064
Energy: 1.3256633121293233
Energy: 1.5303950529595483
Energy: 1.3281850837935785
Energy: 1.4823278304299534
Energy: 1.3125799855956715
Energy: 1.3066860463801
Energy: 1.4035703812235258
Energy: 1.3062598511042618
Energy: 1.3090380257215082
Energy: 1.4169722905892923
Energy: 1.3232779050709107
Energy: 1.4193467349736881
Energy: 1.4279486503232683
Energy: 1.4830972037544214
Energy: 1.3444272647683388
Energy: 1.410229572215029
Energy: 1.4745881467725521
Energy: 1.3872031376427496
Energy: 1.5209079535688643
Energy: 1.529717172166377
Energy: 1.3207563249064307
Energy: 1.4172575074370446
Energy: 1.4701341140787527
Energy: 1.3478740205944277
Energy: 1.4867325199510637
Energy: 1.4033806377985378
Energy: 1.398495863347816
Energy: 1.4858589243687208
Energy: 1.502168922215333
Energy: 1.4706324840315945
Energy: 1.4853744012900594
Energy: 1.4237645838812787
Energy: 1.4226828116413395
Energy: 1.4041257383322843
Energy: 1.3468872067237745
Energy: 1.373301576798955
Energy: 1.334705508071125
Energy: 1.393765829059405
Energy: 1.2914048911171663
Energy: 1.371530327148036
Energy: 1.3987277716588704
Energy: 1.4290350098306808
Energy: 1.6517737027031252
Energy: 1.329136394547988
Energy: 1.470378150497058
Energy: 1.5052850553560932
Energy: 1.4855964281401057
Energy: 1.4868664812380417
Energy: 1.4736428773582972
Energy: 1.4873562374630347
Energy: 1.4820835638420986
Energy: 1.4676054145844426
Energy: 1.422222610714476
Energy: 1.4000266291594905
Energy: 1.4390227361253456
Energy: 1.5051846943785177
Energy: 1.4881303642171535
Energy: 1.4744050405088984
Energy: 1.3289353610071268
Energy: 1.4884908975049347
Energy: 1.485235621076686
Energy: 1.3302085949728004
Energy: 1.4351573731102996
Energy: 1.4650770041202186
Energy: 1.4142622081188143
Energy: 1.3106663971840495
Energy: 1.393981160906359
Energy: 1.5036467252614663
Energy: 1.3051256039230663
Energy: 1.334383386784956
Energy: 1.3166542954716485
Energy: 1.533753789471724
Energy: 1.3295321949392649
Energy: 1.3291964713435405
Energy: 1.331765682641382
Energy: 1.3067110129471053
Energy: 1.4242122711846952
Energy: 1.2409366055198578
Energy: 1.3145534762890778
Energy: 1.326902384566581
Energy: 1.3311299784209154
Energy: 1.3073168874137084
Energy: 1.3104491984805755
Energy: 1.3282061248547683
Energy: 1.3240000599305999
Energy: 1.3253418940740567
Energy: 1.475591728953087
Energy: 1.583947048247321
Energy: 1.6300777108152722
Energy: 1.3227998352243946
Energy: 1.3352616712694585
Energy: 1.3131416790296129
Energy: 1.301638505398953
Energy: 1.399608099711344
Energy: 1.321895850294123
Energy: 1.245037145475137
Energy: 1.3549309260043847
Energy: 1.4106554775905147
Energy: 1.5051479370764045
Energy: 1.5779533942640311
Energy: 1.317836676061663
Energy: 1.3143991376809652
Energy: 1.3054107071342826
Energy: 1.3504100422532126
Energy: 1.3176943912355965
Energy: 1.3217616475931293
Energy: 1.3248450895561832
Energy: 1.332990268598785
Energy: 1.2981007157809292
Energy: 1.31833294031368
Energy: 1.3525068205302968
Energy: 1.3510980305633509
Energy: 1.316041657596154
Energy: 1.3108679254337137
Energy: 1.3337714447123457
Energy: 1.3253783749211783
Energy: 1.3325714430154296
Energy: 1.3936081668023974
Energy: 1.470321413665376
Energy: 1.5683849105870158
Energy: 1.4250144069122497
Energy: 1.3402846342708967
Energy: 1.3127847628393183
Energy: 1.3586331655843762
Energy: 1.3344764677702083
Energy: 1.3247052086420354
Energy: 1.3303532262267084
Energy: 1.5822401597829288
Energy: 1.5100452551907937
Energy: 1.4728541183743247
Energy: 1.3250938473162175
Energy: 1.3419446914886115
Energy: 1.38203565370696
Energy: 1.3075726827981928
Energy: 1.316016952868879
Energy: 1.391321369218158
Energy: 1.3560397341578092
Energy: 1.4160344792728592
Energy: 1.4366683964965965
Energy: 1.5781422503223093
Energy: 1.3021367707337992
Energy: 1.3378466842317243
Energy: 1.364985608971646
Energy: 1.4296129526085903
Energy: 1.5678282723733634
Energy: 1.3498326478806384
Energy: 1.5167444480275003
Energy: 1.3682052416861894
Energy: 1.3250232350831894
Energy: 1.3370460372915416
Energy: 1.3442748243514864
Energy: 1.555614352135629
Energy: 1.5890660151538036
Energy: 1.3142135424109695
Energy: 1.4271844099331565
Energy: 1.3120133901780173
Energy: 1.5612054179030443
Energy: 1.585768768164907
Energy: 1.400341663211134
Energy: 1.4376445965356108
Energy: 1.324880006150092
Energy: 1.3488804252352509
Energy: 1.5563115498227234
Energy: 1.3152873597080108
Energy: 1.4334442853860332
Energy: 1.567004465953564
Energy: 1.4354735013961804
Energy: 1.5901873954836838
Energy: 1.3816351188894258
Energy: 1.4265808956143275
Energy: 1.3309811908384996
Energy: 1.3039054910621939
Energy: 1.310194502084005
Energy: 1.58523443681868
Energy: 1.3153408153833233
Energy: 1.305002679388742
Energy: 1.432104235834969
Energy: 1.3305742363599316
Energy: 1.5469734461842761
Energy: 1.4071740085537643
Energy: 1.5553698990489948
Energy: 1.3938442734547354
Energy: 1.3319906142285698
Energy: 1.3249862081065125
Energy: 1.3486607738326275
Energy: 1.315357321337317
Energy: 1.3150559754220028
Energy: 1.339462400541381
Energy: 1.4248886805031182
Energy: 1.5524892664269934
Energy: 1.4870582213872907
Energy: 1.5802492877444956
Energy: 1.3268927425899943
Energy: 1.3185730665105715
Energy: 1.3332399698298154
Energy: 1.3108613759428167
Energy: 1.314439521262474
Energy: 1.3440809615087423
Energy: 1.4307662979108289
Energy: 1.37040279656963
Energy: 1.3740251398796524
Energy: 1.3224237883224854
Energy: 1.3248434939475804
Energy: 1.3215813974054165
Energy: 1.3115677342661287
Energy: 1.3889561858004218
Energy: 1.3480143118911736
Energy: 1.3159090775066182
Energy: 1.3208563865516352
Energy: 1.2460965327073485

minimum gb energy = 1.2263638321648143 eV
minimum distance =  2.32185725434809 Angstroms
sigma value = 437


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

Energy: 1.4547723319157697
Energy: 1.33737334662843
Energy: 1.3582259191135264
Energy: 1.3631998604587723
Energy: 1.3753818033628402
Energy: 1.632170212227585
Energy: 1.3721733020612283
Energy: 1.3589352906974785
Energy: 1.3645131480635078
Energy: 1.340321819832571
Energy: 1.34062080152099
Energy: 1.3699732741504294
Energy: 1.3774979310423672
Energy: 1.3751378774304523
Energy: 1.3538603714466235
Energy: 1.3741617727168005
Energy: 1.3568569575496183
Energy: 1.3475985974636788
Energy: 1.514090305728845
Energy: 1.3702175689502019
Energy: 1.3848385874631717
Energy: 1.3478937793263719
Energy: 1.370373446630325
Energy: 1.3784030060038481
Energy: 1.3498303199480688
Energy: 1.3542408700546875
Energy: 1.3476950809541473
Energy: 1.3543735076998833
Energy: 1.351980935487641
Energy: 1.368861401505529
Energy: 1.3783357982873319
Energy: 1.352341262529819
Energy: 1.3588221014018143
Energy: 1.5270806449590029
Energy: 1.3446021369350816
Energy: 1.3698442933329449
Energy: 1.3551006656949853
Energy: 1.4091400501089262
Energy: 1.4586634863829526
Energy: 1.342470875863746
Energy: 1.3595621669237645
Energy: 1.5023756101954024
Energy: 1.3315520898349302
Energy: 1.4157618768123554
Energy: 1.408492499109118
Energy: 1.380905749277568
Energy: 1.378391484339096
Energy: 1.3768814691801123
Energy: 1.38497621017213
Energy: 1.3511981710239356
Energy: 1.3549657879706194
Energy: 1.3704721538115943
Energy: 1.3493906850391153
Energy: 1.3710839945024815
Energy: 1.3794079300984947
Energy: 1.3745970025900112
Energy: 1.3568604470438321
Energy: 1.3708246179260508
Energy: 1.3796772576655192
Energy: 1.3472539275540822
Energy: 1.3359613321922161
Energy: 1.5270796915188918
Energy: 1.3536904400295953
Energy: 1.3518902723795652
Energy: 1.3681942610995323
Energy: 1.4171171081852054
Energy: 1.4783147538284975
Energy: 1.379425226560793
Energy: 1.3774237368519215
Energy: 1.3535140717438456
Energy: 1.3325298009916668
Energy: 1.40449489676781
Energy: 1.409889934227333
Energy: 1.3570800491380681
Energy: 1.5299913786062231
Energy: 1.6089164701244016
Energy: 1.3595104447285424
Energy: 1.3574992306138536
Energy: 1.3499015051586924
Energy: 1.4925529651144736
Energy: 1.3875968895807167
Energy: 1.3496845669364967
Energy: 1.382499203886581
Energy: 1.376944394362232
Energy: 1.3519387463765995
Energy: 1.3739981117245386
Energy: 1.3494789861642051
Energy: 1.3539497710848754
Energy: 1.3505497100672559
Energy: 1.3695772248906068
Energy: 1.3787756226807726
Energy: 1.349610698535384
Energy: 1.3719593728067172
Energy: 1.3596666709116916
Energy: 1.3516527725565821
Energy: 1.353098961627443
Energy: 1.3482892226668395
Energy: 1.3565906189911077
Energy: 1.3296673211191519
Energy: 1.531334007420728
Energy: 1.3668234656525549
Energy: 1.333650849347605
Energy: 1.3458344137406109
Energy: 1.3647468052207632
Energy: 1.3541302619739768
Energy: 1.416106114439768
Energy: 1.3773749514918436
Energy: 1.37897842357203
Energy: 1.327843886025661
Energy: 1.3646329679873266
Energy: 1.3567490035663075
Energy: 1.3722687395232718
Energy: 1.331584788533507
Energy: 1.3773284893180433
Energy: 1.3781169878541863
Energy: 1.366362312317136
Energy: 1.3589331824950666
Energy: 1.3701809821730007
Energy: 1.386172540689633
Energy: 1.349812513599344
Energy: 1.5179650167352405
Energy: 1.3695245205494397
Energy: 1.3489561375220516
Energy: 1.377846162822837
Energy: 1.3682454832298787
Energy: 1.4152833732722936
Energy: 1.3568653853877746
Energy: 1.372039130007731
Energy: 1.3800017212847373
Energy: 1.3499019305722044
Energy: 1.3315943172000424
Energy: 1.3646457476489986
Energy: 1.3561968750744329
Energy: 1.3548163073644932
Energy: 1.3681486119539539
Energy: 1.5365537050022093
Energy: 1.3833061707150693
Energy: 1.3594580732149246
Energy: 1.4099888644009257
Energy: 1.3270000675987839

minimum gb energy = 1.3270000675987839 eV
minimum distance =  2.33440902335614 Angstroms
sigma value = 33